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([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001492592149 1069317370 /nfs/dbraw/zinc/31/73/70/1069317370.db2.gz CGJNIIQQYYLWSS-REWPJTCUSA-N 1 1 498.672 4.014 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC[C@@H](C(F)F)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001300645610 1069319027 /nfs/dbraw/zinc/31/90/27/1069319027.db2.gz AIBGDUCEYMMWHR-RTBURBONSA-N 1 1 463.573 4.079 20 0 JIADMO C[NH+](C)[C@H](C(=O)Nc1cc(F)c(F)cc1I)c1ccc(Cl)cc1 ZINC001354546973 1069322627 /nfs/dbraw/zinc/32/26/27/1069322627.db2.gz PETOVBTYNAWGCM-HNNXBMFYSA-N 1 1 450.654 4.464 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001300658422 1069361298 /nfs/dbraw/zinc/36/12/98/1069361298.db2.gz DRGNGMPZEXEFQR-URXFXBBRSA-N 1 1 485.673 4.237 20 0 JIADMO FC(F)(F)Oc1cc(Br)ccc1NC(=S)N[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC001200715699 1069372673 /nfs/dbraw/zinc/37/26/73/1069372673.db2.gz MJWUOODUBQYUQO-AWEZNQCLSA-N 1 1 475.334 4.304 20 0 JIADMO FC(F)(F)Oc1cc(Br)ccc1NC(=S)N[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC001200715699 1069372693 /nfs/dbraw/zinc/37/26/93/1069372693.db2.gz MJWUOODUBQYUQO-AWEZNQCLSA-N 1 1 475.334 4.304 20 0 JIADMO COc1ccccc1SCc1nnc(N(C)CCOC(C)(C)C)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001300668414 1069394273 /nfs/dbraw/zinc/39/42/73/1069394273.db2.gz ZYISLRNQDDMLSH-LJQANCHMSA-N 1 1 484.670 4.289 20 0 JIADMO COc1ccccc1SCc1nnc(N2C[C@H](C)CC[C@H]2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001300670770 1069403954 /nfs/dbraw/zinc/40/39/54/1069403954.db2.gz XFFZSXIAOKNFEF-NJDAHSKKSA-N 1 1 473.687 4.051 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC(C)=C(C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300672874 1069412087 /nfs/dbraw/zinc/41/20/87/1069412087.db2.gz SETIIZWWYPTVTF-JOCHJYFZSA-N 1 1 485.698 4.482 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC=C(C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001300675291 1069418437 /nfs/dbraw/zinc/41/84/37/1069418437.db2.gz GLWYLXWKKZMZHD-NRFANRHFSA-N 1 1 471.671 4.236 20 0 JIADMO C/C(=C/c1ccccc1)CN(C)c1nnc(C(C)(C)C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001359347262 1069419728 /nfs/dbraw/zinc/41/97/28/1069419728.db2.gz HSWXKBDGOXJWBV-QFHABUONSA-N 1 1 466.674 4.058 20 0 JIADMO C/C(=C/c1ccccc1)CN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001359348317 1069424386 /nfs/dbraw/zinc/42/43/86/1069424386.db2.gz DRRYXTIARYCKKL-VFHYMGCCSA-N 1 1 474.653 4.160 20 0 JIADMO C/C(=C/c1ccccc1)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359349099 1069425052 /nfs/dbraw/zinc/42/50/52/1069425052.db2.gz QQMDBDAHVYRBAV-QYPNQAIESA-N 1 1 450.631 4.033 20 0 JIADMO CC(=O)c1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H]3[N@@H+](C)CCCC3(C)C)CC2)c(F)c1 ZINC001359350038 1069428436 /nfs/dbraw/zinc/42/84/36/1069428436.db2.gz QDZKYAIHQHWIKB-HSZRJFAPSA-N 1 1 484.664 4.364 20 0 JIADMO C/C(=C/c1ccccc1)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc[nH+]c1C ZINC001359350224 1069428702 /nfs/dbraw/zinc/42/87/02/1069428702.db2.gz WOVLBFGLFGSIKQ-MNDPQUGUSA-N 1 1 475.622 4.014 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001359351564 1069433995 /nfs/dbraw/zinc/43/39/95/1069433995.db2.gz QIXGIEQMJJGJJI-OAQYLSRUSA-N 1 1 480.701 4.422 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC[C@@H](C(F)F)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001300678087 1069435418 /nfs/dbraw/zinc/43/54/18/1069435418.db2.gz BTQRVPCWVJYCCD-RBUKOAKNSA-N 1 1 495.640 4.029 20 0 JIADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001359356046 1069442324 /nfs/dbraw/zinc/44/23/24/1069442324.db2.gz FIVHHYNZJROAAB-HXUWFJFHSA-N 1 1 473.065 4.168 20 0 JIADMO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccsc3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001359361637 1069452736 /nfs/dbraw/zinc/45/27/36/1069452736.db2.gz HSSZOXYVVDDJNR-HSZRJFAPSA-N 1 1 494.709 4.124 20 0 JIADMO CC(=O)N1CCCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC[N@H+](C)C(C)C)CC1 ZINC001359374318 1069479159 /nfs/dbraw/zinc/47/91/59/1069479159.db2.gz YTHGYPYRXOFLGW-FQEVSTJZSA-N 1 1 491.080 4.087 20 0 JIADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CSc4ccc(C)cc4)n3CCC(C)C)C[C@@H]2C)CC1 ZINC001359380512 1069485715 /nfs/dbraw/zinc/48/57/15/1069485715.db2.gz NGBHRWQQWBDOIC-WIOPSUGQSA-N 1 1 498.741 4.304 20 0 JIADMO 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 1069485120 /nfs/dbraw/zinc/48/51/20/1069485120.db2.gz KLGAHRUZSPIGAR-TYBLODHISA-N 1 1 498.691 4.188 20 0 JIADMO CC(=O)N[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001359423660 1069548087 /nfs/dbraw/zinc/54/80/87/1069548087.db2.gz NZXNHWUQZJSCFG-WIOPSUGQSA-N 1 1 480.701 4.069 20 0 JIADMO CC(=O)NC1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001359426373 1069552108 /nfs/dbraw/zinc/55/21/08/1069552108.db2.gz FOIMLNRGQYWHPN-DEOSSOPVSA-N 1 1 480.701 4.468 20 0 JIADMO CC(=O)NC1CCN(c2nnc(CC3CCCC3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001359429297 1069553978 /nfs/dbraw/zinc/55/39/78/1069553978.db2.gz AWSWUNQIBXFYJP-UHFFFAOYSA-N 1 1 466.674 4.004 20 0 JIADMO CC(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001359435709 1069563482 /nfs/dbraw/zinc/56/34/82/1069563482.db2.gz CCOFVVUJKKWPLE-GGAORHGYSA-N 1 1 458.695 4.016 20 0 JIADMO CC(=O)NCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001359455370 1069580728 /nfs/dbraw/zinc/58/07/28/1069580728.db2.gz NWYWAUNQQFBSHC-UHFFFAOYSA-N 1 1 454.663 4.079 20 0 JIADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C(C)C)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001359463318 1069585992 /nfs/dbraw/zinc/58/59/92/1069585992.db2.gz HKRFLPVQTPDDBG-IBGZPJMESA-N 1 1 474.719 4.425 20 0 JIADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccc(C)o2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359463396 1069586284 /nfs/dbraw/zinc/58/62/84/1069586284.db2.gz KAQRREJUVABTCE-QHCPKHFHSA-N 1 1 498.697 4.480 20 0 JIADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C2CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001359463560 1069587605 /nfs/dbraw/zinc/58/76/05/1069587605.db2.gz QBYUCYIETZSCQV-SFHVURJKSA-N 1 1 472.703 4.179 20 0 JIADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C2CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001359463559 1069587743 /nfs/dbraw/zinc/58/77/43/1069587743.db2.gz QBYUCYIETZSCQV-GOSISDBHSA-N 1 1 472.703 4.179 20 0 JIADMO CC(C)(C)[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[NH+]2CCOCC2)C1 ZINC001359519855 1069807252 /nfs/dbraw/zinc/80/72/52/1069807252.db2.gz SSTKCTQCSQVJPN-QGZVFWFLSA-N 1 1 450.002 4.332 20 0 JIADMO CC(C)(C)[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001359520095 1069807573 /nfs/dbraw/zinc/80/75/73/1069807573.db2.gz ZBFFJAWBVXQJAE-WOJBJXKFSA-N 1 1 461.054 4.103 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCC[C@@H](Oc3ccccc3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001359535224 1069828690 /nfs/dbraw/zinc/82/86/90/1069828690.db2.gz MURYKRXOVMWXSZ-JOCHJYFZSA-N 1 1 455.647 4.025 20 0 JIADMO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+]2CCCC[C@@H]2C)CC[C@@H]1C ZINC001300794969 1069847198 /nfs/dbraw/zinc/84/71/98/1069847198.db2.gz LUXBTXKAFNAGIG-ABSDTBQOSA-N 1 1 479.467 4.161 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CC2CCC(C(F)(F)F)CC2)CC1 ZINC001359547882 1069853868 /nfs/dbraw/zinc/85/38/68/1069853868.db2.gz FPEMIOSIFVDBSC-JLAWEPINSA-N 1 1 457.585 4.461 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccsc3)n2Cc2cccnc2OCC(F)F)CC1 ZINC001359548926 1069856981 /nfs/dbraw/zinc/85/69/81/1069856981.db2.gz WCTQXGJCYCKOLX-UHFFFAOYSA-N 1 1 490.624 4.328 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001359548223 1069854892 /nfs/dbraw/zinc/85/48/92/1069854892.db2.gz RZGAQDVHLDKZJL-SFHVURJKSA-N 1 1 466.552 4.292 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccsc2Br)CC1 ZINC001359548485 1069855092 /nfs/dbraw/zinc/85/50/92/1069855092.db2.gz COSUXSXEZBDKJW-UHFFFAOYSA-N 1 1 489.487 4.447 20 0 JIADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001359594502 1070041767 /nfs/dbraw/zinc/04/17/67/1070041767.db2.gz BVMORAUABBMMNK-UHFFFAOYSA-N 1 1 497.669 4.027 20 0 JIADMO CC(C)=CCCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001359610500 1070072832 /nfs/dbraw/zinc/07/28/32/1070072832.db2.gz FPNCEHHYXBABPB-UHFFFAOYSA-N 1 1 465.621 4.037 20 0 JIADMO CC(C)=CCCn1c(Cc2c(F)cccc2F)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001359610800 1070073091 /nfs/dbraw/zinc/07/30/91/1070073091.db2.gz NNOKPYCDZJDUDQ-UHFFFAOYSA-N 1 1 461.601 4.298 20 0 JIADMO CC(C)=CCCn1c(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001359613461 1070079413 /nfs/dbraw/zinc/07/94/13/1070079413.db2.gz XIECNHFLBGYGPL-IGKIAQTJSA-N 1 1 467.658 4.386 20 0 JIADMO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001359615015 1070082592 /nfs/dbraw/zinc/08/25/92/1070082592.db2.gz AGLVJAPGUSBGPF-UHFFFAOYSA-N 1 1 498.691 4.357 20 0 JIADMO CC(C)C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001359616688 1070086152 /nfs/dbraw/zinc/08/61/52/1070086152.db2.gz HGSKYOGCIUCOHK-UHFFFAOYSA-N 1 1 491.055 4.164 20 0 JIADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+](C)C(C)C)CC1 ZINC001359656332 1070233805 /nfs/dbraw/zinc/23/38/05/1070233805.db2.gz NVJJDHWPIRLOSA-GOSISDBHSA-N 1 1 493.071 4.455 20 0 JIADMO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C)[NH+]1CCOCC1 ZINC001359662722 1070285003 /nfs/dbraw/zinc/28/50/03/1070285003.db2.gz FEVYPZLXHRJLOQ-XUZZJYLKSA-N 1 1 486.680 4.078 20 0 JIADMO CC(C)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1Cc1ccc(N(C)C)nc1 ZINC001359678268 1070333119 /nfs/dbraw/zinc/33/31/19/1070333119.db2.gz ANEFNBZXYOWUDM-URXFXBBRSA-N 1 1 461.658 4.400 20 0 JIADMO CC(C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359685257 1070341041 /nfs/dbraw/zinc/34/10/41/1070341041.db2.gz KXRWRFIGDMINNN-KDURUIRLSA-N 1 1 483.579 4.074 20 0 JIADMO CC(C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359685257 1070341058 /nfs/dbraw/zinc/34/10/58/1070341058.db2.gz KXRWRFIGDMINNN-KDURUIRLSA-N 1 1 483.579 4.074 20 0 JIADMO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CC(F)(F)c1ccccc1 ZINC001359685918 1070341615 /nfs/dbraw/zinc/34/16/15/1070341615.db2.gz KZIAQVLQIRFTOO-SIKLNZKXSA-N 1 1 471.600 4.446 20 0 JIADMO COc1ccc(CCn2c(-c3ccc[nH]3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC ZINC001315462577 1064280040 /nfs/dbraw/zinc/28/00/40/1064280040.db2.gz IEJPLVJTBNRKGG-UHFFFAOYSA-N 1 1 466.630 4.090 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)cc1OC ZINC001315472817 1064313577 /nfs/dbraw/zinc/31/35/77/1064313577.db2.gz RLOLAHKKJLZQSF-UHFFFAOYSA-N 1 1 452.603 4.049 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1F ZINC001315474134 1064318949 /nfs/dbraw/zinc/31/89/49/1064318949.db2.gz LKXIUGUYHRFLGF-QFIPXVFZSA-N 1 1 454.594 4.188 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1F ZINC001315474256 1064319726 /nfs/dbraw/zinc/31/97/26/1064319726.db2.gz FOWKAJHWSCXFSZ-FPOVZHCZSA-N 1 1 459.610 4.221 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCCC(C)(C)C2)cc1O ZINC001315476173 1064326737 /nfs/dbraw/zinc/32/67/37/1064326737.db2.gz UWISDBPXMWXOJP-UHFFFAOYSA-N 1 1 485.032 4.466 20 0 JIADMO COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c(F)c1 ZINC001315490846 1064374217 /nfs/dbraw/zinc/37/42/17/1064374217.db2.gz DRCNQPDESYBPTM-UHFFFAOYSA-N 1 1 452.578 4.155 20 0 JIADMO COc1ccc(Cn2c(N(C)CC(C)(C)C[NH+]3CCOCC3)nnc2C(C)(C)C)c(C(F)(F)F)c1 ZINC001315506684 1064424523 /nfs/dbraw/zinc/42/45/23/1064424523.db2.gz UFAAYKLVEOSGOW-UHFFFAOYSA-N 1 1 497.606 4.446 20 0 JIADMO COc1ccc(COCCn2c(C)nnc2N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC001315508991 1064434308 /nfs/dbraw/zinc/43/43/08/1064434308.db2.gz PJAQCPQXHSZCIU-NRFANRHFSA-N 1 1 455.647 4.293 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001315509474 1064437014 /nfs/dbraw/zinc/43/70/14/1064437014.db2.gz CMQCFUBMCKZNKC-LJQANCHMSA-N 1 1 469.033 4.294 20 0 JIADMO COc1ccc(Cl)cc1Cn1c(-c2cccnc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001315514937 1064460684 /nfs/dbraw/zinc/46/06/84/1064460684.db2.gz ZNOSKSCDKBYPHC-UHFFFAOYSA-N 1 1 455.006 4.361 20 0 JIADMO 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 1064476234 /nfs/dbraw/zinc/47/62/34/1064476234.db2.gz GDRAQLMKOUZLNW-ZRBLBEILSA-N 1 1 499.700 4.278 20 0 JIADMO COc1ccc(OCc2nnc(N(C)Cc3cnc(C)s3)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001315526188 1064502064 /nfs/dbraw/zinc/50/20/64/1064502064.db2.gz DLWKYFHAMDVKIZ-UHFFFAOYSA-N 1 1 484.670 4.389 20 0 JIADMO COc1ccc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001315532349 1064519310 /nfs/dbraw/zinc/51/93/10/1064519310.db2.gz HDXQYIUKDUVXKS-QZTJIDSGSA-N 1 1 467.536 4.129 20 0 JIADMO COc1cccc([C@H](C)N2CCN(c3nnc(C)n3CC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC001315544582 1064547057 /nfs/dbraw/zinc/54/70/57/1064547057.db2.gz DVPRZYDKMCHLIJ-BDTNDASRSA-N 1 1 468.690 4.235 20 0 JIADMO COc1cccc([C@H](C)N2CCN(c3nnc(C)n3CC(C)(C)[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC001315544582 1064547066 /nfs/dbraw/zinc/54/70/66/1064547066.db2.gz DVPRZYDKMCHLIJ-BDTNDASRSA-N 1 1 468.690 4.235 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C(C)C)n3CC[C@@H](OC)C(F)(F)F)CC2)c1 ZINC001315544898 1064547737 /nfs/dbraw/zinc/54/77/37/1064547737.db2.gz JAECNMJUKGWGKC-FXAWDEMLSA-N 1 1 469.552 4.261 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[C@@H](O)C3)CC2)c1 ZINC001315545138 1064549730 /nfs/dbraw/zinc/54/97/30/1064549730.db2.gz LVPWXQBAVFBNNE-QNWVGRARSA-N 1 1 469.674 4.310 20 0 JIADMO COc1cccc(-c2nnc(N(C)[C@@H](C)c3cccs3)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001315549473 1064564423 /nfs/dbraw/zinc/56/44/23/1064564423.db2.gz QLTIMWWLBGREGZ-FQEVSTJZSA-N 1 1 482.698 4.486 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H](c2ccco2)N(C)C)c1 ZINC001315563770 1064592236 /nfs/dbraw/zinc/59/22/36/1064592236.db2.gz SSOIOKPQSNNMGT-JOCHJYFZSA-N 1 1 466.630 4.160 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H](c2ccco2)N(C)C)c1 ZINC001315563770 1064592250 /nfs/dbraw/zinc/59/22/50/1064592250.db2.gz SSOIOKPQSNNMGT-JOCHJYFZSA-N 1 1 466.630 4.160 20 0 JIADMO COc1cccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001315567674 1064600717 /nfs/dbraw/zinc/60/07/17/1064600717.db2.gz RTETVOOUGCCPQP-QTEQDKRBSA-N 1 1 455.647 4.325 20 0 JIADMO COc1cccc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001315567675 1064600820 /nfs/dbraw/zinc/60/08/20/1064600820.db2.gz RTETVOOUGCCPQP-VIZSFHNOSA-N 1 1 455.647 4.325 20 0 JIADMO COc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001315569574 1064608831 /nfs/dbraw/zinc/60/88/31/1064608831.db2.gz IWXRUGMZRRIOSY-GOSISDBHSA-N 1 1 481.563 4.233 20 0 JIADMO COc1cccc(O[C@H](C)Cn2c(N3CC[NH+](Cc4ccsc4)CC3)nnc2C(C)(C)C)c1 ZINC001315584997 1064660713 /nfs/dbraw/zinc/66/07/13/1064660713.db2.gz FOJGAZRBPQZRPA-LJQANCHMSA-N 1 1 469.655 4.435 20 0 JIADMO 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20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[C@](C)(OC)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001315603422 1064715241 /nfs/dbraw/zinc/71/52/41/1064715241.db2.gz DKFYZPXYRLJQET-LVXARBLLSA-N 1 1 455.647 4.471 20 0 JIADMO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001315607974 1064726501 /nfs/dbraw/zinc/72/65/01/1064726501.db2.gz VBFNGVMKNXAMIV-FQEVSTJZSA-N 1 1 494.606 4.150 20 0 JIADMO COc1ccccc1[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001315613498 1064737071 /nfs/dbraw/zinc/73/70/71/1064737071.db2.gz PLVVVGCEMBNALQ-VXKWHMMOSA-N 1 1 469.674 4.106 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)C(F)(F)F ZINC001315616901 1064744956 /nfs/dbraw/zinc/74/49/56/1064744956.db2.gz BUWAUMMBVMIICO-HDICACEKSA-N 1 1 483.579 4.011 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)C(F)(F)F ZINC001315616901 1064744970 /nfs/dbraw/zinc/74/49/70/1064744970.db2.gz BUWAUMMBVMIICO-HDICACEKSA-N 1 1 483.579 4.011 20 0 JIADMO 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COCCO[C@H](C)c1nnc(N2CCc3cc(F)ccc3C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001316181632 1065863433 /nfs/dbraw/zinc/86/34/33/1065863433.db2.gz BNRREGWEFPNQDI-VQTJNVASSA-N 1 1 473.637 4.214 20 0 JIADMO COCCO[C@H](C)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[N@@H+](C)C1CCCCC1 ZINC001316187198 1065874341 /nfs/dbraw/zinc/87/43/41/1065874341.db2.gz FBROAUGTJAMBAQ-MSOLQXFVSA-N 1 1 461.573 4.045 20 0 JIADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1(c2ccc(F)cc2)CC1 ZINC001316195713 1065890055 /nfs/dbraw/zinc/89/00/55/1065890055.db2.gz AKGHKXWVMHVFLW-HXUWFJFHSA-N 1 1 473.637 4.184 20 0 JIADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCc1nc(C(C)(C)C)cs1 ZINC001316196090 1065890543 /nfs/dbraw/zinc/89/05/43/1065890543.db2.gz CUUAZYYGVXVIFF-IBGZPJMESA-N 1 1 492.734 4.309 20 0 JIADMO COCCO[C@@H](C)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001316200660 1065898140 /nfs/dbraw/zinc/89/81/40/1065898140.db2.gz KHPYXLLVNODJOQ-GKJHBJHPSA-N 1 1 462.038 4.337 20 0 JIADMO COCCO[C@H](C)c1nnc(N2CCCC[C@H](C)C2)n1CCC[N@H+]1CCc2ccccc2C1 ZINC001316201235 1065898808 /nfs/dbraw/zinc/89/88/08/1065898808.db2.gz PNXLOKFUHFXBPN-FCHUYYIVSA-N 1 1 455.647 4.077 20 0 JIADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC001316201348 1065899090 /nfs/dbraw/zinc/89/90/90/1065899090.db2.gz UMLYSWKWNPAAPY-KJXAQDMKSA-N 1 1 459.610 4.180 20 0 JIADMO COCCO[C@H](C)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@@H]1CC[C@@H](C)C1 ZINC001316204812 1065906109 /nfs/dbraw/zinc/90/61/09/1065906109.db2.gz LTKIEJAEPFDURS-XRXFAXGQSA-N 1 1 461.676 4.383 20 0 JIADMO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C1CC(C(C)(C)C)C1 ZINC001316215544 1065925557 /nfs/dbraw/zinc/92/55/57/1065925557.db2.gz QEFDYUDWGINECS-KMFTYDHNSA-N 1 1 461.676 4.383 20 0 JIADMO COCCO[C@@H](C)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001316218600 1065931500 /nfs/dbraw/zinc/93/15/00/1065931500.db2.gz RSBLHNFGYPDDQG-XMGTWHOFSA-N 1 1 495.590 4.301 20 0 JIADMO COCCOc1ccccc1Cn1c(C)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001316227661 1065947407 /nfs/dbraw/zinc/94/74/07/1065947407.db2.gz PXEPTUNRYABHBC-OAQYLSRUSA-N 1 1 455.647 4.141 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)C)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001316269485 1066012677 /nfs/dbraw/zinc/01/26/77/1066012677.db2.gz ISLXBAXSRFJJDP-WAGURGNTSA-N 1 1 461.676 4.239 20 0 JIADMO 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 1066062893 /nfs/dbraw/zinc/06/28/93/1066062893.db2.gz OPQPHZYNJILDLG-WIYBCGNWSA-N 1 1 483.648 4.384 20 0 JIADMO CO[C@@H]1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC[N@@H+]2CC=CCC2)C1 ZINC001316313373 1066069390 /nfs/dbraw/zinc/06/93/90/1066069390.db2.gz CTJLHYNFURFHMK-PZJWPPBQSA-N 1 1 460.022 4.175 20 0 JIADMO CON(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001316314133 1066070405 /nfs/dbraw/zinc/07/04/05/1066070405.db2.gz RMXWMNVPOQORNC-UHFFFAOYSA-N 1 1 474.352 4.099 20 0 JIADMO CO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001316315440 1066071569 /nfs/dbraw/zinc/07/15/69/1066071569.db2.gz LCVMACNKRVYYLQ-RBUKOAKNSA-N 1 1 476.463 4.301 20 0 JIADMO CON(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001316316136 1066072177 /nfs/dbraw/zinc/07/21/77/1066072177.db2.gz MBZRZFGGBLONLO-FCEWJHQRSA-N 1 1 479.025 4.003 20 0 JIADMO 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 1066077983 /nfs/dbraw/zinc/07/79/83/1066077983.db2.gz VOPPOMGBDLHIOH-ZFGGDYGUSA-N 1 1 499.700 4.268 20 0 JIADMO CSC(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001316372856 1066125751 /nfs/dbraw/zinc/12/57/51/1066125751.db2.gz UTQFPCOMAZOXPY-UHFFFAOYSA-N 1 1 457.688 4.353 20 0 JIADMO CSC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001316373560 1066128520 /nfs/dbraw/zinc/12/85/20/1066128520.db2.gz NSAUIUCWJNXWEE-XMMPIXPASA-N 1 1 475.728 4.321 20 0 JIADMO CS[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001316380276 1066148009 /nfs/dbraw/zinc/14/80/09/1066148009.db2.gz FNUGBQJHZHVXAW-LJQANCHMSA-N 1 1 454.619 4.251 20 0 JIADMO CS[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001316384630 1066153854 /nfs/dbraw/zinc/15/38/54/1066153854.db2.gz WJEQDCZNOOGTKB-UWJYYQICSA-N 1 1 456.685 4.096 20 0 JIADMO CS[C@H](Cn1c(C(C)C)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C(C)(C)C ZINC001316388424 1066160614 /nfs/dbraw/zinc/16/06/14/1066160614.db2.gz MFSDNDJIUDWUEI-OAQYLSRUSA-N 1 1 450.741 4.174 20 0 JIADMO 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 1066168931 /nfs/dbraw/zinc/16/89/31/1066168931.db2.gz IZJZSKORYIOZGC-SKWRMQMOSA-N 1 1 493.762 4.275 20 0 JIADMO CS[C@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)C(C)(C)C ZINC001316400358 1066177858 /nfs/dbraw/zinc/17/78/58/1066177858.db2.gz VLDSWKUEASHBKS-IFMALSPDSA-N 1 1 457.688 4.190 20 0 JIADMO CSC1(Cn2c(CC(C)C)nnc2N2CCN(Cc3ccccc3)C[C@H]2C)CC[NH+](C)CC1 ZINC001316408361 1066192110 /nfs/dbraw/zinc/19/21/10/1066192110.db2.gz XOHMHGXBTIANCX-JOCHJYFZSA-N 1 1 470.731 4.015 20 0 JIADMO CSc1ccc(CCn2c(C3CCCC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001316416823 1066216068 /nfs/dbraw/zinc/21/60/68/1066216068.db2.gz ILWVMYOQYZCQPO-UHFFFAOYSA-N 1 1 457.688 4.447 20 0 JIADMO CSc1ccc(CCn2c(C3CCCC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001316416823 1066216075 /nfs/dbraw/zinc/21/60/75/1066216075.db2.gz ILWVMYOQYZCQPO-UHFFFAOYSA-N 1 1 457.688 4.447 20 0 JIADMO 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 1066228528 /nfs/dbraw/zinc/22/85/28/1066228528.db2.gz TYLOVZVDSQXVGT-ATEJDMMGSA-N 1 1 493.648 4.345 20 0 JIADMO CS[C@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001316421913 1066229821 /nfs/dbraw/zinc/22/98/21/1066229821.db2.gz IHMHOSOHICVSDE-IRLDBZIGSA-N 1 1 493.681 4.168 20 0 JIADMO CSc1ccccc1CN(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCC[C@@H]1C ZINC001316426164 1066244720 /nfs/dbraw/zinc/24/47/20/1066244720.db2.gz VXQZUNBNVRYJEX-SFHVURJKSA-N 1 1 484.695 4.112 20 0 JIADMO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492499537 1066250460 /nfs/dbraw/zinc/25/04/60/1066250460.db2.gz QVHFJSNPXJZWEH-GPQDTSNOSA-N 1 1 494.709 4.390 20 0 JIADMO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@@](C)=O)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001492499702 1066274639 /nfs/dbraw/zinc/27/46/39/1066274639.db2.gz VAOBIVMZPPTWJJ-XSJBNIOMSA-N 1 1 480.682 4.143 20 0 JIADMO O=C(NC1CCC(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)CC1)C1CCCC1 ZINC001325969018 1066276932 /nfs/dbraw/zinc/27/69/32/1066276932.db2.gz SSYAHRDNSWVJJO-UHFFFAOYSA-N 1 1 451.615 4.353 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1cn(-c2ccccc2Br)nn1 ZINC001325992633 1066278957 /nfs/dbraw/zinc/27/89/57/1066278957.db2.gz RPKJLMJNVMYXBH-UHFFFAOYSA-N 1 1 480.370 4.144 20 0 JIADMO CSC[C@H]1CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCCn1cc[nH+]c1C ZINC001316434999 1066283816 /nfs/dbraw/zinc/28/38/16/1066283816.db2.gz QZBFLODGTNIACL-GOSISDBHSA-N 1 1 462.570 4.474 20 0 JIADMO CSCc1cccc(Cn2c(CC(C)C)nnc2N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1 ZINC001316434922 1066283939 /nfs/dbraw/zinc/28/39/39/1066283939.db2.gz SNRVCSNNVFQPLW-UHFFFAOYSA-N 1 1 484.758 4.383 20 0 JIADMO CSC[C@@H]1CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001316437525 1066290648 /nfs/dbraw/zinc/29/06/48/1066290648.db2.gz BRWJJDYNWLQCFY-FCHUYYIVSA-N 1 1 478.106 4.211 20 0 JIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(-n3cccn3)c(F)c2)c1 ZINC001326465575 1066297402 /nfs/dbraw/zinc/29/74/02/1066297402.db2.gz OHOHZYUCMVMLGM-INIZCTEOSA-N 1 1 453.493 4.216 20 0 JIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(-n3cccn3)c(F)c2)c1 ZINC001326465575 1066297418 /nfs/dbraw/zinc/29/74/18/1066297418.db2.gz OHOHZYUCMVMLGM-INIZCTEOSA-N 1 1 453.493 4.216 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC001492502439 1066303746 /nfs/dbraw/zinc/30/37/46/1066303746.db2.gz WBZRXSPYBBLTCN-OAQYLSRUSA-N 1 1 470.662 4.138 20 0 JIADMO 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 1066310548 /nfs/dbraw/zinc/31/05/48/1066310548.db2.gz VMRPRGGKMGSPFV-ZWKOTPCHSA-N 1 1 460.447 4.407 20 0 JIADMO CCOC(=O)c1sc2[nH]c([C@H](C)N3CCC[N@@H+](Cc4ccc(C)cc4)CC3)nc(=O)c2c1C ZINC001327321631 1066314912 /nfs/dbraw/zinc/31/49/12/1066314912.db2.gz SZCDMZDVYOKWFQ-SFHVURJKSA-N 1 1 468.623 4.047 20 0 JIADMO CSCC[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cc[nH+]c1C ZINC001316446803 1066319228 /nfs/dbraw/zinc/31/92/28/1066319228.db2.gz IUNGVMIEGBQLQS-QUCCMNQESA-N 1 1 491.706 4.176 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001316447002 1066319900 /nfs/dbraw/zinc/31/99/00/1066319900.db2.gz NSHZHYKXKSSDGA-SFHVURJKSA-N 1 1 465.111 4.202 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001316447002 1066319915 /nfs/dbraw/zinc/31/99/15/1066319915.db2.gz NSHZHYKXKSSDGA-SFHVURJKSA-N 1 1 465.111 4.202 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001316447002 1066319931 /nfs/dbraw/zinc/31/99/31/1066319931.db2.gz NSHZHYKXKSSDGA-SFHVURJKSA-N 1 1 465.111 4.202 20 0 JIADMO 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 1066322039 /nfs/dbraw/zinc/32/20/39/1066322039.db2.gz ZTJKEDNQYYIVBY-SLFFLAALSA-N 1 1 460.692 4.114 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001316448654 1066324197 /nfs/dbraw/zinc/32/41/97/1066324197.db2.gz WWDBTYYGMDLUTH-XDHUDOTRSA-N 1 1 489.686 4.457 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(C(=O)N(C)C(C)C)CC3)n2CCC[N@@H+](C)C2CCCCC2)n1 ZINC001492506457 1066326744 /nfs/dbraw/zinc/32/67/44/1066326744.db2.gz OPOFXVFSTRHDCH-UHFFFAOYSA-N 1 1 495.716 4.386 20 0 JIADMO 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 1066329924 /nfs/dbraw/zinc/32/99/24/1066329924.db2.gz XJELHDSPBRKGNE-XUZZJYLKSA-N 1 1 495.716 4.146 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001316451374 1066331630 /nfs/dbraw/zinc/33/16/30/1066331630.db2.gz RUFJKVAXIWDTRJ-SFHVURJKSA-N 1 1 466.095 4.211 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001316451374 1066331647 /nfs/dbraw/zinc/33/16/47/1066331647.db2.gz RUFJKVAXIWDTRJ-SFHVURJKSA-N 1 1 466.095 4.211 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cnc4c(c3)c(C3CC3)nn4-c3ccccc3)C2)ccn1 ZINC001329441325 1066338996 /nfs/dbraw/zinc/33/89/96/1066338996.db2.gz HSADBVDRUFVMET-RUZDIDTESA-N 1 1 496.615 4.438 20 0 JIADMO CSCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001316461077 1066356593 /nfs/dbraw/zinc/35/65/93/1066356593.db2.gz AEPRQFPKIGCAFV-OAQYLSRUSA-N 1 1 461.651 4.167 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](c2c(F)cccc2F)N(C)C)n1 ZINC001492515899 1066362785 /nfs/dbraw/zinc/36/27/85/1066362785.db2.gz ICCRQXAEOINHBV-QHCPKHFHSA-N 1 1 483.611 4.150 20 0 JIADMO CSCCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001316465443 1066365390 /nfs/dbraw/zinc/36/53/90/1066365390.db2.gz MVOQKIJTZDWXDA-GOSISDBHSA-N 1 1 481.508 4.252 20 0 JIADMO CSCCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001316468150 1066373017 /nfs/dbraw/zinc/37/30/17/1066373017.db2.gz ZQEPDSNNAYKSQW-QFIPXVFZSA-N 1 1 487.714 4.307 20 0 JIADMO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC001332854118 1066379753 /nfs/dbraw/zinc/37/97/53/1066379753.db2.gz VCCOZSSWCXTTAK-NFBKMPQASA-N 1 1 478.662 4.013 20 0 JIADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCCCO ZINC001316492650 1066432079 /nfs/dbraw/zinc/43/20/79/1066432079.db2.gz PMZJXNLOLFCAGE-OAQYLSRUSA-N 1 1 469.674 4.095 20 0 JIADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C[C@H](C)C1(F)F ZINC001316495654 1066442280 /nfs/dbraw/zinc/44/22/80/1066442280.db2.gz FPWZVFSFVHSCCQ-XQBPLPMBSA-N 1 1 475.628 4.308 20 0 JIADMO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CC=CCC2)C[C@H](C)C1(F)F ZINC001316501701 1066462608 /nfs/dbraw/zinc/46/26/08/1066462608.db2.gz UIVVEWFWKBLDLR-CALCHBBNSA-N 1 1 451.512 4.137 20 0 JIADMO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)C1(F)F ZINC001316502331 1066465218 /nfs/dbraw/zinc/46/52/18/1066465218.db2.gz KDSVTBKHDGCYFR-HDICACEKSA-N 1 1 498.018 4.349 20 0 JIADMO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)C1(F)F ZINC001316502331 1066465231 /nfs/dbraw/zinc/46/52/31/1066465231.db2.gz KDSVTBKHDGCYFR-HDICACEKSA-N 1 1 498.018 4.349 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCOC(C)(C)C)C[C@H](C)O1 ZINC001316502595 1066466034 /nfs/dbraw/zinc/46/60/34/1066466034.db2.gz ACDCXLNVRARWOP-CALCHBBNSA-N 1 1 468.017 4.098 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2CCOC(C)(C)C)C[C@H](C)O1 ZINC001316502595 1066466043 /nfs/dbraw/zinc/46/60/43/1066466043.db2.gz ACDCXLNVRARWOP-CALCHBBNSA-N 1 1 468.017 4.098 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCCC(C)(C)C)C[C@H](C)O1 ZINC001316502597 1066466095 /nfs/dbraw/zinc/46/60/95/1066466095.db2.gz ACMLIVAQIWRYCW-CALCHBBNSA-N 1 1 481.483 4.407 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCCC(C)(C)C)C[C@H](C)O1 ZINC001316502597 1066466101 /nfs/dbraw/zinc/46/61/01/1066466101.db2.gz ACMLIVAQIWRYCW-CALCHBBNSA-N 1 1 481.483 4.407 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2CCc2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC001316502828 1066467405 /nfs/dbraw/zinc/46/74/05/1066467405.db2.gz JFTMZHJSQPPUGZ-JQVVWYNYSA-N 1 1 495.590 4.327 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2CCc2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC001316502828 1066467415 /nfs/dbraw/zinc/46/74/15/1066467415.db2.gz JFTMZHJSQPPUGZ-JQVVWYNYSA-N 1 1 495.590 4.327 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCCC(F)(F)C2)C[C@H](C)O1 ZINC001316503482 1066469472 /nfs/dbraw/zinc/46/94/72/1066469472.db2.gz QEWJJWOYOMUBPY-WOZUAGRISA-N 1 1 469.621 4.281 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCCC(F)(F)C2)C[C@H](C)O1 ZINC001316503482 1066469505 /nfs/dbraw/zinc/46/95/05/1066469505.db2.gz QEWJJWOYOMUBPY-WOZUAGRISA-N 1 1 469.621 4.281 20 0 JIADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(F)(F)F ZINC001316503678 1066470842 /nfs/dbraw/zinc/47/08/42/1066470842.db2.gz CMARSRCQVRHMFN-KRWDZBQOSA-N 1 1 465.564 4.494 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Br)cc3)n2CCC2(C)CC2)C[C@H](C)O1 ZINC001316503982 1066473509 /nfs/dbraw/zinc/47/35/09/1066473509.db2.gz RVUJMCUFQOLTCE-HDICACEKSA-N 1 1 476.463 4.443 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Br)cc3)n2CCC2(C)CC2)C[C@H](C)O1 ZINC001316503982 1066473518 /nfs/dbraw/zinc/47/35/18/1066473518.db2.gz RVUJMCUFQOLTCE-HDICACEKSA-N 1 1 476.463 4.443 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2CC[C@H]2CCCCO2)C[C@H](C)O1 ZINC001316504415 1066474800 /nfs/dbraw/zinc/47/48/00/1066474800.db2.gz XRVVYXCSYBNQSF-WSTZPKSXSA-N 1 1 480.028 4.242 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2CC[C@H]2CCCCO2)C[C@H](C)O1 ZINC001316504415 1066474818 /nfs/dbraw/zinc/47/48/18/1066474818.db2.gz XRVVYXCSYBNQSF-WSTZPKSXSA-N 1 1 480.028 4.242 20 0 JIADMO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccccc2F)n1CC[N@@H+](C)C1CCCCC1 ZINC001316508677 1066489011 /nfs/dbraw/zinc/48/90/11/1066489011.db2.gz YBHILFDVJLICMV-IBGZPJMESA-N 1 1 459.610 4.264 20 0 JIADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3)c2)CCO1 ZINC001337796193 1066512310 /nfs/dbraw/zinc/51/23/10/1066512310.db2.gz BDIMXKJPWBNJLC-HFZDXXHNSA-N 1 1 473.621 4.029 20 0 JIADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3)c2)CCO1 ZINC001337796193 1066512319 /nfs/dbraw/zinc/51/23/19/1066512319.db2.gz BDIMXKJPWBNJLC-HFZDXXHNSA-N 1 1 473.621 4.029 20 0 JIADMO FC(F)(F)SCCn1c(Cc2ccncc2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001316517527 1066518278 /nfs/dbraw/zinc/51/82/78/1066518278.db2.gz RNKIEPLSIGLOQP-UHFFFAOYSA-N 1 1 476.572 4.229 20 0 JIADMO FC1(F)CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCOCC2)CC1 ZINC001316518281 1066520197 /nfs/dbraw/zinc/52/01/97/1066520197.db2.gz CVRJBYOZPYEPLC-UHFFFAOYSA-N 1 1 460.356 4.210 20 0 JIADMO FC1(F)CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001316519100 1066521962 /nfs/dbraw/zinc/52/19/62/1066521962.db2.gz NITKMZUROUKHRQ-UHFFFAOYSA-N 1 1 458.376 4.267 20 0 JIADMO Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)ccc2C)c(C)c1 ZINC001338046200 1066527236 /nfs/dbraw/zinc/52/72/36/1066527236.db2.gz JPUVOIASOQFPMD-JOCHJYFZSA-N 1 1 455.624 4.031 20 0 JIADMO Fc1ccc(Cc2nnc(N(CCC(F)(F)F)CC3CC3)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001316522890 1066531148 /nfs/dbraw/zinc/53/11/48/1066531148.db2.gz JAOUKSCVFUZEKT-UHFFFAOYSA-N 1 1 451.512 4.439 20 0 JIADMO Fc1ccccc1Cc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCCOC(F)(F)F ZINC001316525895 1066540922 /nfs/dbraw/zinc/54/09/22/1066540922.db2.gz RUMUMAFPPUSIPD-UHFFFAOYSA-N 1 1 483.535 4.318 20 0 JIADMO O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001338431537 1066554895 /nfs/dbraw/zinc/55/48/95/1066554895.db2.gz UUCBTBQCDYHJFI-UHFFFAOYSA-N 1 1 453.974 4.351 20 0 JIADMO CC(C)[C@@H](C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)S(=O)(=O)C1CCCCC1 ZINC001338520083 1066561329 /nfs/dbraw/zinc/56/13/29/1066561329.db2.gz SDWAKCYRPIOWQP-QHCPKHFHSA-N 1 1 460.644 4.259 20 0 JIADMO Cc1cc(-c2cc(C(=O)OC[C@H]3C[N@@H+](CC(C)C)CCO3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001341820945 1066589682 /nfs/dbraw/zinc/58/96/82/1066589682.db2.gz KUSAAJVRUUEAJT-LJQANCHMSA-N 1 1 454.571 4.403 20 0 JIADMO OC[C@H]1CCC[N@H+]1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(F)F)C1 ZINC001316585906 1066608632 /nfs/dbraw/zinc/60/86/32/1066608632.db2.gz YIPBJYUFMQRKET-FUHWJXTLSA-N 1 1 485.982 4.456 20 0 JIADMO Cc1nc(CSCC(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cs1 ZINC001317718458 1066645847 /nfs/dbraw/zinc/64/58/47/1066645847.db2.gz OWBVTQKYXGBBMV-UHFFFAOYSA-N 1 1 452.649 4.123 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001492541627 1066650151 /nfs/dbraw/zinc/65/01/51/1066650151.db2.gz MVNAQOMURGJQQI-OAQYLSRUSA-N 1 1 455.647 4.149 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001492541627 1066650157 /nfs/dbraw/zinc/65/01/57/1066650157.db2.gz MVNAQOMURGJQQI-OAQYLSRUSA-N 1 1 455.647 4.149 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(CCCO)CC3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001492543127 1066664045 /nfs/dbraw/zinc/66/40/45/1066664045.db2.gz ATBYFGDTYXZLRG-UHFFFAOYSA-N 1 1 469.674 4.276 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCC[C@H](O)C2)c1 ZINC001492543309 1066665720 /nfs/dbraw/zinc/66/57/20/1066665720.db2.gz HOWMORRUBHXMLG-ZEQRLZLVSA-N 1 1 469.674 4.273 20 0 JIADMO C[C@H](OC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001348475493 1066747739 /nfs/dbraw/zinc/74/77/39/1066747739.db2.gz FVORWMIOOQDKOS-UWJYYQICSA-N 1 1 484.021 4.323 20 0 JIADMO CC(C)c1ccc([C@@H](CNC(=O)N(C)Cc2nnc3n2CCC3)[N@@H+]2CCc3sccc3C2)cc1 ZINC001317882462 1066751744 /nfs/dbraw/zinc/75/17/44/1066751744.db2.gz VOOSEEXIKFUARE-JOCHJYFZSA-N 1 1 478.666 4.350 20 0 JIADMO CC(C)c1ccc([C@@H](CNC(=O)N(C)Cc2nnc3n2CCC3)[N@H+]2CCc3sccc3C2)cc1 ZINC001317882462 1066751754 /nfs/dbraw/zinc/75/17/54/1066751754.db2.gz VOOSEEXIKFUARE-JOCHJYFZSA-N 1 1 478.666 4.350 20 0 JIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001317915131 1066783576 /nfs/dbraw/zinc/78/35/76/1066783576.db2.gz WKYUFWITFKAWCF-OAQYLSRUSA-N 1 1 488.632 4.279 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)CC2)cc1 ZINC001317945698 1066803711 /nfs/dbraw/zinc/80/37/11/1066803711.db2.gz DORJDGXXUSYTAK-UHFFFAOYSA-N 1 1 489.641 4.095 20 0 JIADMO Cc1ccc(C(=O)NCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)s1 ZINC001317956996 1066810632 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AZRQLHFNXDSSQT-YJBOKZPZSA-N 1 1 454.352 4.262 20 0 JIADMO O=C1Nc2ccccc2[C@H]1C1CCN(Cn2nc(C[NH+]3CCCC3)n(-c3ccccc3)c2=S)CC1 ZINC001318187652 1066947561 /nfs/dbraw/zinc/94/75/61/1066947561.db2.gz MRIYNQCGOZKRHV-RUZDIDTESA-N 1 1 488.661 4.404 20 0 JIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNS(=O)(=O)Cc2ccc(Br)cc2F)C1 ZINC001318216371 1066965313 /nfs/dbraw/zinc/96/53/13/1066965313.db2.gz NLPJIMCOLHGCHD-MRXNPFEDSA-N 1 1 469.420 4.440 20 0 JIADMO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318229499 1066972990 /nfs/dbraw/zinc/97/29/90/1066972990.db2.gz FNIKASIAWKVCHK-CLOONOSVSA-N 1 1 473.621 4.487 20 0 JIADMO CCC(=O)N1CC[C@H](C(=O)NC[C@H](c2ccc(C(C)C)cc2)[N@@H+]2CCc3sccc3C2)C1 ZINC001350594551 1066976296 /nfs/dbraw/zinc/97/62/96/1066976296.db2.gz NXYPZTDEKMJHTF-XZOQPEGZSA-N 1 1 453.652 4.346 20 0 JIADMO CCC(=O)N1CC[C@H](C(=O)NC[C@H](c2ccc(C(C)C)cc2)[N@H+]2CCc3sccc3C2)C1 ZINC001350594551 1066976308 /nfs/dbraw/zinc/97/63/08/1066976308.db2.gz NXYPZTDEKMJHTF-XZOQPEGZSA-N 1 1 453.652 4.346 20 0 JIADMO O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318237614 1066977631 /nfs/dbraw/zinc/97/76/31/1066977631.db2.gz DPHNIOJMILQPKY-UHFFFAOYSA-N 1 1 453.930 4.139 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CC=CC[C@@H]3c3nc4ccccc4s3)c2)CC1 ZINC001318249096 1066982806 /nfs/dbraw/zinc/98/28/06/1066982806.db2.gz YJSDHGAGUSAEJF-PKTZIBPZSA-N 1 1 460.647 4.410 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC001318262431 1066989957 /nfs/dbraw/zinc/98/99/57/1066989957.db2.gz LVPHZSXBOLWXGP-ATIYNZHBSA-N 1 1 493.608 4.217 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC001318262433 1066990054 /nfs/dbraw/zinc/99/00/54/1066990054.db2.gz LVPHZSXBOLWXGP-GJZUVCINSA-N 1 1 493.608 4.217 20 0 JIADMO Cc1[nH+]ccn1CCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001492548329 1066990907 /nfs/dbraw/zinc/99/09/07/1066990907.db2.gz XZZPVBJNCVSSKO-JOCHJYFZSA-N 1 1 452.603 4.012 20 0 JIADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001318280139 1067000144 /nfs/dbraw/zinc/00/01/44/1067000144.db2.gz CZKWCSYTQLJWAG-NRFANRHFSA-N 1 1 489.616 4.088 20 0 JIADMO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCCn2cc[nH+]c2C(C)C)cc1OC ZINC001318329998 1067019753 /nfs/dbraw/zinc/01/97/53/1067019753.db2.gz XULPMXDSTXCLSD-UHFFFAOYSA-N 1 1 459.550 4.306 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492548635 1067040622 /nfs/dbraw/zinc/04/06/22/1067040622.db2.gz HCTBHFDIEVSSFM-DNQXCXABSA-N 1 1 487.714 4.100 20 0 JIADMO Cc1cc(Br)c(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1Cl ZINC001351237825 1067063287 /nfs/dbraw/zinc/06/32/87/1067063287.db2.gz SRSWMWXBNARFSI-SFHVURJKSA-N 1 1 450.764 4.113 20 0 JIADMO Cc1cc(Br)c(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cc1Cl ZINC001351237825 1067063298 /nfs/dbraw/zinc/06/32/98/1067063298.db2.gz SRSWMWXBNARFSI-SFHVURJKSA-N 1 1 450.764 4.113 20 0 JIADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NC3CCN(c4cccc(OC)c4)CC3)c2c1C ZINC001320389471 1067090307 /nfs/dbraw/zinc/09/03/07/1067090307.db2.gz VZGZWTBRHVNYIJ-UHFFFAOYSA-N 1 1 483.638 4.328 20 0 JIADMO Cc1cccc(C)c1OCc1nnc(SCC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)n1-c1ccccc1 ZINC001320810998 1067094275 /nfs/dbraw/zinc/09/42/75/1067094275.db2.gz NPXLYWRAWLRSCG-HSZRJFAPSA-N 1 1 491.661 4.252 20 0 JIADMO COc1cccc(Br)c1[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=S)NC(C)C ZINC001200795915 1067151597 /nfs/dbraw/zinc/15/15/97/1067151597.db2.gz XJCGHDVDVJJVJH-PKOBYXMFSA-N 1 1 462.457 4.298 20 0 JIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC001321539373 1067161190 /nfs/dbraw/zinc/16/11/90/1067161190.db2.gz FJJUOFPOQCAFMY-UHFFFAOYSA-N 1 1 475.433 4.009 20 0 JIADMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)c(OC)c1 ZINC001351730548 1067182162 /nfs/dbraw/zinc/18/21/62/1067182162.db2.gz PFLPSFUIOYICFG-DHIUTWEWSA-N 1 1 450.604 4.340 20 0 JIADMO CN(C)C(=O)COc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001354860291 1067210901 /nfs/dbraw/zinc/21/09/01/1067210901.db2.gz WJPNVPWXDLYCSC-GGXMVOPNSA-N 1 1 471.601 4.182 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001492549292 1067211971 /nfs/dbraw/zinc/21/19/71/1067211971.db2.gz WQBMCPAWTBFEBP-VXKWHMMOSA-N 1 1 455.647 4.290 20 0 JIADMO CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)cc1 ZINC001351863773 1067227342 /nfs/dbraw/zinc/22/73/42/1067227342.db2.gz VDWWIKNFWCREQW-RCZVLFRGSA-N 1 1 471.667 4.450 20 0 JIADMO O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001351973604 1067259395 /nfs/dbraw/zinc/25/93/95/1067259395.db2.gz WYQJGAJFGCOXSY-RBZOQEBVSA-N 1 1 451.998 4.079 20 0 JIADMO Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)c(Cl)cc2Cl)c1 ZINC001322171922 1067259502 /nfs/dbraw/zinc/25/95/02/1067259502.db2.gz NNOIITYRXMLSMT-KRWDZBQOSA-N 1 1 482.433 4.413 20 0 JIADMO Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)c(Cl)cc2Cl)c1 ZINC001322171922 1067259510 /nfs/dbraw/zinc/25/95/10/1067259510.db2.gz NNOIITYRXMLSMT-KRWDZBQOSA-N 1 1 482.433 4.413 20 0 JIADMO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)nn1-c1ccc(Br)cc1 ZINC001352018839 1067270128 /nfs/dbraw/zinc/27/01/28/1067270128.db2.gz FMBXZOBEAQEFMU-HXUWFJFHSA-N 1 1 457.372 4.493 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1ccc(I)cc1 ZINC001322403342 1067287054 /nfs/dbraw/zinc/28/70/54/1067287054.db2.gz BNHCQPUZQJMKRK-UHFFFAOYSA-N 1 1 460.319 4.406 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001300758031 1067289999 /nfs/dbraw/zinc/28/99/99/1067289999.db2.gz PATIFJZGIQDJQE-LVCYWYKZSA-N 1 1 463.573 4.282 20 0 JIADMO CO[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001300761563 1067301119 /nfs/dbraw/zinc/30/11/19/1067301119.db2.gz QGTAAZMYWOGIHA-MJGOQNOKSA-N 1 1 482.456 4.368 20 0 JIADMO CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001300761904 1067301758 /nfs/dbraw/zinc/30/17/58/1067301758.db2.gz XKBIYCXBESRJLI-WOJBJXKFSA-N 1 1 472.655 4.120 20 0 JIADMO COc1ccccc1N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2-n2cc[nH+]c2C)CC1=O ZINC001354952357 1067301995 /nfs/dbraw/zinc/30/19/95/1067301995.db2.gz OPYICESICRBVGO-HNNXBMFYSA-N 1 1 458.440 4.200 20 0 JIADMO COc1ccccc1N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2-n2cc[nH+]c2C)CC1=O ZINC001354952358 1067302576 /nfs/dbraw/zinc/30/25/76/1067302576.db2.gz OPYICESICRBVGO-OAHLLOKOSA-N 1 1 458.440 4.200 20 0 JIADMO COc1cccc(N2CCC(NC(=O)c3ccccc3OCC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC001322590508 1067304617 /nfs/dbraw/zinc/30/46/17/1067304617.db2.gz JNYZAMSVWXYAHA-OAQYLSRUSA-N 1 1 451.611 4.347 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)Cn1cnc(-c2ccccc2)cc1=O ZINC001354963183 1067306986 /nfs/dbraw/zinc/30/69/86/1067306986.db2.gz SXEFKIAJGIZJLF-UHFFFAOYSA-N 1 1 453.424 4.062 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3cccc(N4CCOC4=O)c3)n2CC[N@H+](C)C(C)C)n1 ZINC001492494603 1067313808 /nfs/dbraw/zinc/31/38/08/1067313808.db2.gz DTDGADFCBKUPLW-FQEVSTJZSA-N 1 1 477.613 4.143 20 0 JIADMO C[C@H]1CC[C@H](c2nc(CC(=O)Nc3ccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)cc3)cs2)CC1 ZINC001352239351 1067315664 /nfs/dbraw/zinc/31/56/64/1067315664.db2.gz XITUIGKPRFMEBL-MISYRCLQSA-N 1 1 454.640 4.315 20 0 JIADMO O=C(c1cc(Br)cnc1Br)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC001354985132 1067317749 /nfs/dbraw/zinc/31/77/49/1067317749.db2.gz UQRLDNWGRDXWKS-AWEZNQCLSA-N 1 1 451.162 4.231 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3ccc(F)cc3)n2CC2CCN(CC[NH+](C)C)CC2)n1 ZINC001492494791 1067319468 /nfs/dbraw/zinc/31/94/68/1067319468.db2.gz IAAQALWYOCLPBR-NRFANRHFSA-N 1 1 479.648 4.259 20 0 JIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)C1 ZINC001323636434 1067324940 /nfs/dbraw/zinc/32/49/40/1067324940.db2.gz YPJBVSPHKNZZPG-OAQYLSRUSA-N 1 1 488.632 4.136 20 0 JIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001323720407 1067326038 /nfs/dbraw/zinc/32/60/38/1067326038.db2.gz BCOGTLGODCWSOT-GOSISDBHSA-N 1 1 453.537 4.395 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001300774000 1067326682 /nfs/dbraw/zinc/32/66/82/1067326682.db2.gz WAHAGURNVPDPPQ-DNQXCXABSA-N 1 1 469.674 4.457 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001300773999 1067326729 /nfs/dbraw/zinc/32/67/29/1067326729.db2.gz WAHAGURNVPDPPQ-BJKOFHAPSA-N 1 1 469.674 4.457 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001300774551 1067327815 /nfs/dbraw/zinc/32/78/15/1067327815.db2.gz ZBLAJENSEAFRQW-OAQYLSRUSA-N 1 1 462.038 4.248 20 0 JIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CCc2nc(C3CCCC3)no2)c1 ZINC001355012914 1067336141 /nfs/dbraw/zinc/33/61/41/1067336141.db2.gz FOBZCRROIXAKIV-MRXNPFEDSA-N 1 1 457.550 4.251 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CCc2nc(C3CCCC3)no2)c1 ZINC001355012914 1067336149 /nfs/dbraw/zinc/33/61/49/1067336149.db2.gz FOBZCRROIXAKIV-MRXNPFEDSA-N 1 1 457.550 4.251 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3cccs3)n2CC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC001300001760 1067341086 /nfs/dbraw/zinc/34/10/86/1067341086.db2.gz GYNPQJYXDJVSPU-SFHVURJKSA-N 1 1 455.628 4.392 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C/C=C\c2ccccc2)n1 ZINC001492498186 1067341318 /nfs/dbraw/zinc/34/13/18/1067341318.db2.gz URIUFCBORQYICD-LCYFTJDESA-N 1 1 460.626 4.157 20 0 JIADMO CCS(=O)(=O)Nc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)cc1C ZINC001200004529 1067345883 /nfs/dbraw/zinc/34/58/83/1067345883.db2.gz XKURKFOGKKHQQE-QHCPKHFHSA-N 1 1 458.628 4.131 20 0 JIADMO COc1ccc(-c2nnc(N(C)C[C@@H]3CC=CCC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300008399 1067359050 /nfs/dbraw/zinc/35/90/50/1067359050.db2.gz FYAHHRQPCRFYRG-NHCUHLMSSA-N 1 1 453.631 4.487 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC3CCCCC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001300009767 1067361055 /nfs/dbraw/zinc/36/10/55/1067361055.db2.gz WEEQTMQVAMJSKE-NRFANRHFSA-N 1 1 455.647 4.471 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(=S)Nc1ccccc1Cl)CC2 ZINC001200854911 1067362943 /nfs/dbraw/zinc/36/29/43/1067362943.db2.gz WIQFKYGEDCKGTC-LJQANCHMSA-N 1 1 452.064 4.266 20 0 JIADMO CO[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC001300793114 1067364858 /nfs/dbraw/zinc/36/48/58/1067364858.db2.gz DFPSFUSXSIOMJS-KXBFYZLASA-N 1 1 480.426 4.192 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC(C)(C)C(F)(F)F)c(OC)c1 ZINC001300013337 1067368620 /nfs/dbraw/zinc/36/86/20/1067368620.db2.gz OSOQNSZWYGOQCH-UHFFFAOYSA-N 1 1 499.578 4.098 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC(C)(C)C(F)(F)F)c(OC)c1 ZINC001300013337 1067368632 /nfs/dbraw/zinc/36/86/32/1067368632.db2.gz OSOQNSZWYGOQCH-UHFFFAOYSA-N 1 1 499.578 4.098 20 0 JIADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H](F)c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC001355085724 1067371754 /nfs/dbraw/zinc/37/17/54/1067371754.db2.gz XETIORPCAUCPDP-OAQYLSRUSA-N 1 1 451.464 4.061 20 0 JIADMO O=C(NCc1ccc(OCC(F)(F)F)nc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001355107545 1067373863 /nfs/dbraw/zinc/37/38/63/1067373863.db2.gz OCMTYUXPJMYOSO-RTBURBONSA-N 1 1 476.524 4.011 20 0 JIADMO COc1ccc(-c2nnc(N(C)CCCSC)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1OC ZINC001300015808 1067374479 /nfs/dbraw/zinc/37/44/79/1067374479.db2.gz YPCDFWIQLVQIRI-NRFANRHFSA-N 1 1 461.676 4.272 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(C)(C)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c(OC)c1 ZINC001300031319 1067421892 /nfs/dbraw/zinc/42/18/92/1067421892.db2.gz YUKYSHMLTUUPQY-FQEVSTJZSA-N 1 1 471.646 4.090 20 0 JIADMO CCOC(=O)N1[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CC[C@H]1c1ccc(C)o1 ZINC001355405692 1067451598 /nfs/dbraw/zinc/45/15/98/1067451598.db2.gz PCBUMMIODLPMPP-LEWJYISDSA-N 1 1 454.502 4.200 20 0 JIADMO Cc1ccc(SC2(C(=O)Nc3cccc(CC(=O)N4CC[NH+](C)CC4)c3)CCCC2)cc1 ZINC001355447319 1067468809 /nfs/dbraw/zinc/46/88/09/1067468809.db2.gz GCGDXFNKPCDFGK-UHFFFAOYSA-N 1 1 451.636 4.355 20 0 JIADMO CCOc1ccc(NC(=O)CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001355479078 1067482797 /nfs/dbraw/zinc/48/27/97/1067482797.db2.gz GQWUZMBRGYFQCL-RRPNLBNLSA-N 1 1 471.601 4.364 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@H](C)[N@@H+](C)C2CC2)c(OC)c1 ZINC001300045571 1067493690 /nfs/dbraw/zinc/49/36/90/1067493690.db2.gz KSIJHXJYNURBDQ-SFHVURJKSA-N 1 1 471.646 4.229 20 0 JIADMO CC[C@H](NC(=O)c1csc(N(C)c2ccccc2)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355543929 1067504658 /nfs/dbraw/zinc/50/46/58/1067504658.db2.gz DRLPYALOLOPFGR-JTHBVZDNSA-N 1 1 450.608 4.320 20 0 JIADMO CC[C@H](NC(=O)c1csc(N(C)c2ccccc2)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355543929 1067504670 /nfs/dbraw/zinc/50/46/70/1067504670.db2.gz DRLPYALOLOPFGR-JTHBVZDNSA-N 1 1 450.608 4.320 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC001300049924 1067506674 /nfs/dbraw/zinc/50/66/74/1067506674.db2.gz LWYAITNKLQEXEJ-PKOBYXMFSA-N 1 1 463.573 4.176 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001492582875 1067522852 /nfs/dbraw/zinc/52/28/52/1067522852.db2.gz WJWVXMIFHZSGID-GOTSBHOMSA-N 1 1 496.700 4.401 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492582771 1067532356 /nfs/dbraw/zinc/53/23/56/1067532356.db2.gz SNQGYKSCDQEXHQ-BGYRXZFFSA-N 1 1 493.618 4.439 20 0 JIADMO COc1ccc(-c2nnc(N3CCCC3(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300057663 1067547403 /nfs/dbraw/zinc/54/74/03/1067547403.db2.gz XTAZHSRSALKZHI-KDURUIRLSA-N 1 1 471.646 4.229 20 0 JIADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CC(C)(C)NC(=O)OCc2ccccc2)C[C@@H](C)O1 ZINC001355721450 1067564232 /nfs/dbraw/zinc/56/42/32/1067564232.db2.gz YAPVIXWTQIJLAH-WOJBJXKFSA-N 1 1 453.583 4.329 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H]2CCO[C@H]2C(C)C)cc1 ZINC001300061662 1067565145 /nfs/dbraw/zinc/56/51/45/1067565145.db2.gz MIAMHWSAKXTQMN-GGAORHGYSA-N 1 1 455.647 4.325 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCOCC(C)C)cc1OC ZINC001300062081 1067568129 /nfs/dbraw/zinc/56/81/29/1067568129.db2.gz UQZACSAZWSPNOR-UHFFFAOYSA-N 1 1 473.662 4.336 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCc2cccc(C)n2)c(OC)c1 ZINC001300062090 1067568420 /nfs/dbraw/zinc/56/84/20/1067568420.db2.gz UWVKWQYEAXXMKV-UHFFFAOYSA-N 1 1 478.641 4.219 20 0 JIADMO COc1ccc(-c2nnc(N3CCN(c4ccc(Cl)cn4)CC3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001300069009 1067588318 /nfs/dbraw/zinc/58/83/18/1067588318.db2.gz HWHJBEYGUQFJNA-UHFFFAOYSA-N 1 1 484.048 4.059 20 0 JIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2nc(Br)ccc2Br)C1 ZINC001355842362 1067590778 /nfs/dbraw/zinc/59/07/78/1067590778.db2.gz JUOPDTOZMBFOIE-TZMCWYRMSA-N 1 1 453.178 4.172 20 0 JIADMO COc1ccc(CCNC(=S)NC2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)cc1OC ZINC001200092384 1067593822 /nfs/dbraw/zinc/59/38/22/1067593822.db2.gz WQXUHQMWICZMLD-UHFFFAOYSA-N 1 1 466.022 4.168 20 0 JIADMO COc1ccc(-c2nnc(N3CC[NH+](Cc4cccs4)CC3)n2C[C@H](OC)C(C)C)cc1OC ZINC001300074020 1067597066 /nfs/dbraw/zinc/59/70/66/1067597066.db2.gz CGKOVXCXTYORMH-QHCPKHFHSA-N 1 1 485.654 4.017 20 0 JIADMO COc1ccc(-c2nnc(N3CCOC(C)(C)C3)n2CCCC[N@H+]2CCCC[C@H]2C)c(OC)c1 ZINC001300077799 1067608782 /nfs/dbraw/zinc/60/87/82/1067608782.db2.gz BEWMMDNSJIKVDJ-HXUWFJFHSA-N 1 1 471.646 4.232 20 0 JIADMO COc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300078189 1067611768 /nfs/dbraw/zinc/61/17/68/1067611768.db2.gz GOZOWQCPASTRBI-RXVVDRJESA-N 1 1 481.563 4.233 20 0 JIADMO COc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)c(OC)c1 ZINC001300078679 1067612975 /nfs/dbraw/zinc/61/29/75/1067612975.db2.gz KHDVOCZBGGXSAC-SIBVEZHUSA-N 1 1 471.646 4.088 20 0 JIADMO COc1ccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC001300080622 1067616646 /nfs/dbraw/zinc/61/66/46/1067616646.db2.gz WCULZHFZPKJWRK-VWLOTQADSA-N 1 1 485.673 4.478 20 0 JIADMO Cn1cc(C[N@H+]2CCCC23CCN(S(=O)(=O)c2ccc(Cl)c4ccccc42)CC3)cn1 ZINC001200107820 1067636806 /nfs/dbraw/zinc/63/68/06/1067636806.db2.gz HRMLEHVBWCLSRJ-UHFFFAOYSA-N 1 1 459.015 4.046 20 0 JIADMO COc1ccc(CCCN(C)C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)cc1 ZINC001200108538 1067641096 /nfs/dbraw/zinc/64/10/96/1067641096.db2.gz ZQRGSKLWYNIVPH-UHFFFAOYSA-N 1 1 450.583 4.079 20 0 JIADMO COc1ccc(-c2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CCCCn2cc[nH+]c2C)c(OC)c1 ZINC001300090286 1067645286 /nfs/dbraw/zinc/64/52/86/1067645286.db2.gz UCYKMKGCCBGCQQ-ROUUACIJSA-N 1 1 470.643 4.278 20 0 JIADMO COc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1Br ZINC001300090907 1067648041 /nfs/dbraw/zinc/64/80/41/1067648041.db2.gz ZOMHOTCEDBRXCU-IAGOWNOFSA-N 1 1 494.503 4.390 20 0 JIADMO CCN(CC)C(=O)COc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1Cl ZINC001356089192 1067655195 /nfs/dbraw/zinc/65/51/95/1067655195.db2.gz DMJZEQRHMLZZJN-NRFANRHFSA-N 1 1 452.382 4.482 20 0 JIADMO COc1ccc(C[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001300102804 1067681216 /nfs/dbraw/zinc/68/12/16/1067681216.db2.gz KHXNYCBGTVXTTJ-OAQYLSRUSA-N 1 1 464.658 4.482 20 0 JIADMO C[C@@H](c1ccc(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1)N1CCOCC1 ZINC001200121682 1067682458 /nfs/dbraw/zinc/68/24/58/1067682458.db2.gz LMXGLUNYHLFNEY-QFIPXVFZSA-N 1 1 450.627 4.456 20 0 JIADMO C[C@H](c1ccc(NC(=O)NCCc2cnc(SC3CCCC3)nc2)cc1)[NH+]1CCOCC1 ZINC001200123009 1067686616 /nfs/dbraw/zinc/68/66/16/1067686616.db2.gz XDEFKULGGVIBSV-GOSISDBHSA-N 1 1 455.628 4.269 20 0 JIADMO O=C(NC1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1)OCc1ccccc1 ZINC001352756342 1067702379 /nfs/dbraw/zinc/70/23/79/1067702379.db2.gz XFLRBKSIMNLVKM-QFIPXVFZSA-N 1 1 455.986 4.270 20 0 JIADMO O=C(NC1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1)OCc1ccccc1 ZINC001352756342 1067702399 /nfs/dbraw/zinc/70/23/99/1067702399.db2.gz XFLRBKSIMNLVKM-QFIPXVFZSA-N 1 1 455.986 4.270 20 0 JIADMO COC(=O)c1ccc2c(c1)[C@H](CNC(=O)Nc1ccc([C@H](C)[NH+]3CCOCC3)cc1)CCC2 ZINC001200128863 1067709376 /nfs/dbraw/zinc/70/93/76/1067709376.db2.gz JJYKWQZTFCNSCM-AVRDEDQJSA-N 1 1 451.567 4.108 20 0 JIADMO Cc1ccc(NC(=O)c2ccnc(OCC(F)(F)F)c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001356262464 1067710180 /nfs/dbraw/zinc/71/01/80/1067710180.db2.gz TUCCMKSNGDSJOJ-UHFFFAOYSA-N 1 1 450.461 4.008 20 0 JIADMO C[C@H](c1ccc(NC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1)[NH+]1CCOCC1 ZINC001200130417 1067712092 /nfs/dbraw/zinc/71/20/92/1067712092.db2.gz VVIYCAXHQWUZDS-SFHLNBCPSA-N 1 1 460.619 4.094 20 0 JIADMO COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001300112408 1067715030 /nfs/dbraw/zinc/71/50/30/1067715030.db2.gz PJQJEFCKTMPKOE-YTFSRNRJSA-N 1 1 458.961 4.249 20 0 JIADMO COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001300112408 1067715039 /nfs/dbraw/zinc/71/50/39/1067715039.db2.gz PJQJEFCKTMPKOE-YTFSRNRJSA-N 1 1 458.961 4.249 20 0 JIADMO COc1ccc(CCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001300113855 1067719954 /nfs/dbraw/zinc/71/99/54/1067719954.db2.gz ICZLUNJISIWCSO-UKILVPOCSA-N 1 1 469.674 4.198 20 0 JIADMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001356354178 1067733693 /nfs/dbraw/zinc/73/36/93/1067733693.db2.gz FMTMLEFCSIZGOE-ROUUACIJSA-N 1 1 453.384 4.370 20 0 JIADMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001356354178 1067733702 /nfs/dbraw/zinc/73/37/02/1067733702.db2.gz FMTMLEFCSIZGOE-ROUUACIJSA-N 1 1 453.384 4.370 20 0 JIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2c(C(F)F)nc3ccccn32)c1 ZINC001356363111 1067735848 /nfs/dbraw/zinc/73/58/48/1067735848.db2.gz FAYJZWCPDJCWLB-CQSZACIVSA-N 1 1 459.472 4.476 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2c(C(F)F)nc3ccccn32)c1 ZINC001356363111 1067735855 /nfs/dbraw/zinc/73/58/55/1067735855.db2.gz FAYJZWCPDJCWLB-CQSZACIVSA-N 1 1 459.472 4.476 20 0 JIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cn(C)nc2-c2cccs2)c1 ZINC001356377709 1067739069 /nfs/dbraw/zinc/73/90/69/1067739069.db2.gz HRARKESDWLFCQL-HNNXBMFYSA-N 1 1 455.559 4.353 20 0 JIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cn(C)nc2-c2cccs2)c1 ZINC001356377709 1067739075 /nfs/dbraw/zinc/73/90/75/1067739075.db2.gz HRARKESDWLFCQL-HNNXBMFYSA-N 1 1 455.559 4.353 20 0 JIADMO Cc1ccccc1C1=NO[C@H](C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)C1 ZINC001356380050 1067740694 /nfs/dbraw/zinc/74/06/94/1067740694.db2.gz ZPPNQOBGLQUCEX-HXOBKFHXSA-N 1 1 452.530 4.079 20 0 JIADMO Cc1ccccc1C1=NO[C@H](C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)C1 ZINC001356380050 1067740708 /nfs/dbraw/zinc/74/07/08/1067740708.db2.gz ZPPNQOBGLQUCEX-HXOBKFHXSA-N 1 1 452.530 4.079 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001300122755 1067742253 /nfs/dbraw/zinc/74/22/53/1067742253.db2.gz JBUABMKJOKGXDD-FGZHOGPDSA-N 1 1 469.674 4.196 20 0 JIADMO Cc1ccc(NC(=S)N2C[C@@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Br)c1 ZINC001200143697 1067747106 /nfs/dbraw/zinc/74/71/06/1067747106.db2.gz DMPOGGYUMXNIOA-NJYVYQBISA-N 1 1 475.456 4.213 20 0 JIADMO Cc1ccc(NC(=S)N2C[C@@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Br)c1 ZINC001200143697 1067747118 /nfs/dbraw/zinc/74/71/18/1067747118.db2.gz DMPOGGYUMXNIOA-NJYVYQBISA-N 1 1 475.456 4.213 20 0 JIADMO COc1ccc(CCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300126417 1067753192 /nfs/dbraw/zinc/75/31/92/1067753192.db2.gz NLKILJQYLBPCLD-DHIUTWEWSA-N 1 1 482.717 4.113 20 0 JIADMO CCn1c(SCC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nnc1-c1ccco1 ZINC001356493818 1067764109 /nfs/dbraw/zinc/76/41/09/1067764109.db2.gz COELTFMKVWEDAN-UYAOXDASSA-N 1 1 453.612 4.067 20 0 JIADMO O=C(Nc1ccccc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1Br ZINC001300129789 1067764872 /nfs/dbraw/zinc/76/48/72/1067764872.db2.gz PLIRVTSPDSFBHM-LEWJYISDSA-N 1 1 456.384 4.448 20 0 JIADMO CC[C@@H](C)NC(=O)c1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001356551989 1067776412 /nfs/dbraw/zinc/77/64/12/1067776412.db2.gz ZFPCGGBZPYMKLG-CTUHWIOQSA-N 1 1 476.646 4.203 20 0 JIADMO COC(=O)c1ccccc1C[NH+]1CCC(NC(=S)Nc2ccc(C)cc2Br)CC1 ZINC001200159245 1067784709 /nfs/dbraw/zinc/78/47/09/1067784709.db2.gz FFWXMZZYSNYRHE-UHFFFAOYSA-N 1 1 476.440 4.495 20 0 JIADMO COc1ccc(CCn2c(CC(C)(C)C)nnc2N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c(OC)c1 ZINC001300148363 1067802401 /nfs/dbraw/zinc/80/24/01/1067802401.db2.gz CBHPUHGXKPZZRZ-HXUWFJFHSA-N 1 1 469.674 4.437 20 0 JIADMO CCCC(=O)Nc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001357183968 1067815479 /nfs/dbraw/zinc/81/54/79/1067815479.db2.gz FQYWQWNPASLANI-IZZNHLLZSA-N 1 1 456.590 4.352 20 0 JIADMO COc1ccc(CN(C)c2nnc(C(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)cc1OC(F)F ZINC001300159297 1067815524 /nfs/dbraw/zinc/81/55/24/1067815524.db2.gz XGHAYXQAROODSY-MRXNPFEDSA-N 1 1 451.562 4.306 20 0 JIADMO CC(=O)N(CCC(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001357189202 1067816158 /nfs/dbraw/zinc/81/61/58/1067816158.db2.gz KQDPRQKMHIXBIH-RUZDIDTESA-N 1 1 459.594 4.016 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC001300164044 1067821306 /nfs/dbraw/zinc/82/13/06/1067821306.db2.gz IAGBBMYTJOTLGQ-QFIPXVFZSA-N 1 1 478.641 4.362 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300164543 1067822097 /nfs/dbraw/zinc/82/20/97/1067822097.db2.gz TXVOJJMXLCXIPC-WNCULLNHSA-N 1 1 485.673 4.084 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)cc1F ZINC001357274416 1067828943 /nfs/dbraw/zinc/82/89/43/1067828943.db2.gz YUIQPDRKVQVHAI-UHFFFAOYSA-N 1 1 454.303 4.198 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2CC[N@H+]2CCCC(C)(C)C2)c(OC)c1 ZINC001300170366 1067829016 /nfs/dbraw/zinc/82/90/16/1067829016.db2.gz QXMXWMFBFRPRBI-JOCHJYFZSA-N 1 1 471.646 4.295 20 0 JIADMO C[C@@H](C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1cccc(Br)c1 ZINC001357293320 1067831173 /nfs/dbraw/zinc/83/11/73/1067831173.db2.gz GTIPJHKETUTWPG-QGZVFWFLSA-N 1 1 456.384 4.478 20 0 JIADMO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300180275 1067843273 /nfs/dbraw/zinc/84/32/73/1067843273.db2.gz KUTAACPCYDAUDH-XMMPIXPASA-N 1 1 455.647 4.013 20 0 JIADMO COc1ccc(CN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)C2CC2)cc1 ZINC001300182064 1067844853 /nfs/dbraw/zinc/84/48/53/1067844853.db2.gz MWOJJDVQQMCDBA-FQEVSTJZSA-N 1 1 455.647 4.254 20 0 JIADMO CC(C)c1ncc(Br)c(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001357493399 1067858641 /nfs/dbraw/zinc/85/86/41/1067858641.db2.gz CXZRBLSBZGSBIT-QWFCFKBJSA-N 1 1 457.416 4.393 20 0 JIADMO CC(C)c1ncc(Br)c(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001357493385 1067858704 /nfs/dbraw/zinc/85/87/04/1067858704.db2.gz CXZRBLSBZGSBIT-CMKODMSKSA-N 1 1 457.416 4.393 20 0 JIADMO COc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1Br ZINC001300199300 1067869753 /nfs/dbraw/zinc/86/97/53/1067869753.db2.gz BKHUBPGZDMCYSN-UHFFFAOYSA-N 1 1 487.446 4.403 20 0 JIADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC001357574641 1067872509 /nfs/dbraw/zinc/87/25/09/1067872509.db2.gz RMMGWCGHSKXFFN-IBGZPJMESA-N 1 1 450.341 4.339 20 0 JIADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1ccc2nnc(C(F)F)n2c1 ZINC001357578902 1067873742 /nfs/dbraw/zinc/87/37/42/1067873742.db2.gz YDFQMTGOUYOLHR-UHFFFAOYSA-N 1 1 454.308 4.368 20 0 JIADMO COc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c(C(F)(F)F)c1 ZINC001300211696 1067881755 /nfs/dbraw/zinc/88/17/55/1067881755.db2.gz YYTVALUZAGILAR-GOSISDBHSA-N 1 1 481.563 4.168 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3ccc(-c4cccc(F)c4)s3)c2)C1 ZINC001353165164 1067885834 /nfs/dbraw/zinc/88/58/34/1067885834.db2.gz UOXFWIJXCYLDHA-HXUWFJFHSA-N 1 1 451.567 4.182 20 0 JIADMO COc1c(Br)ccc(C)c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC001357803541 1067903413 /nfs/dbraw/zinc/90/34/13/1067903413.db2.gz JCIVHFJABCIMKC-UHFFFAOYSA-N 1 1 452.780 4.424 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300238076 1067937467 /nfs/dbraw/zinc/93/74/67/1067937467.db2.gz YFFBDFWBPWZLRR-UXHICEINSA-N 1 1 476.065 4.448 20 0 JIADMO CC(C)[C@H](C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccc(Cl)c1 ZINC001357977196 1067966487 /nfs/dbraw/zinc/96/64/87/1067966487.db2.gz VAJKEXJLTCGPCZ-DEOSSOPVSA-N 1 1 458.002 4.057 20 0 JIADMO CCC[C@@H](C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccc(Cl)c1 ZINC001357977304 1067967009 /nfs/dbraw/zinc/96/70/09/1067967009.db2.gz WPQRWYZXNSFRJN-HSZRJFAPSA-N 1 1 458.002 4.201 20 0 JIADMO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001358035455 1067997931 /nfs/dbraw/zinc/99/79/31/1067997931.db2.gz MNVLSOOKMRVDLE-VPHKFGTKSA-N 1 1 457.977 4.124 20 0 JIADMO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001358035448 1067998051 /nfs/dbraw/zinc/99/80/51/1067998051.db2.gz MNVLSOOKMRVDLE-HFRGRHLUSA-N 1 1 457.977 4.124 20 0 JIADMO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC001473346117 1068004788 /nfs/dbraw/zinc/00/47/88/1068004788.db2.gz TYVXVTNEBLVCGH-UHFFFAOYSA-N 1 1 459.034 4.337 20 0 JIADMO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC001473346117 1068004803 /nfs/dbraw/zinc/00/48/03/1068004803.db2.gz TYVXVTNEBLVCGH-UHFFFAOYSA-N 1 1 459.034 4.337 20 0 JIADMO COc1ccc(OC(F)F)c(Cn2c([C@H]3CCCCO3)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001300252940 1068006803 /nfs/dbraw/zinc/00/68/03/1068006803.db2.gz FZLZSKYNDMWOCJ-OAQYLSRUSA-N 1 1 479.572 4.099 20 0 JIADMO Cc1ccccc1-c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001492562133 1068013104 /nfs/dbraw/zinc/01/31/04/1068013104.db2.gz FZXBASJVZOEEJP-VSKRKVRLSA-N 1 1 482.673 4.477 20 0 JIADMO COc1cc(Br)c(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1OC ZINC001358096141 1068018615 /nfs/dbraw/zinc/01/86/15/1068018615.db2.gz YNGKBMZUFQLEBR-UHFFFAOYSA-N 1 1 451.386 4.267 20 0 JIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)cc2)C1 ZINC001353323694 1068027296 /nfs/dbraw/zinc/02/72/96/1068027296.db2.gz CJMHXULIMVURNB-VFNWGFHPSA-N 1 1 457.368 4.401 20 0 JIADMO COc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300264451 1068033378 /nfs/dbraw/zinc/03/33/78/1068033378.db2.gz FXFFCJYBDFLJNC-HXUWFJFHSA-N 1 1 495.672 4.055 20 0 JIADMO COc1ccc(OCc2nnc(N(C)CCC(F)(F)F)n2C[C@H]2CCCn3cc[nH+]c32)cc1 ZINC001300266566 1068037946 /nfs/dbraw/zinc/03/79/46/1068037946.db2.gz IGXDHXAARHHBMS-MRXNPFEDSA-N 1 1 464.492 4.028 20 0 JIADMO COc1ccc(OCc2nnc(N3C[C@H](OC)C(C)(C)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001300271851 1068053308 /nfs/dbraw/zinc/05/33/08/1068053308.db2.gz MUIYVFQUOWCWAG-URXFXBBRSA-N 1 1 485.673 4.095 20 0 JIADMO COCCc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc2)cc1 ZINC001200314903 1068054663 /nfs/dbraw/zinc/05/46/63/1068054663.db2.gz OAAIBZOSJOIICZ-RPBOFIJWSA-N 1 1 453.583 4.433 20 0 JIADMO Cc1cc2cc(C(=O)Nc3cccc(C[N@@H+]4CCC[C@@H]4C(N)=O)c3)oc2c(Br)c1 ZINC001358343782 1068070324 /nfs/dbraw/zinc/07/03/24/1068070324.db2.gz FLMCSBYYTKTUQL-GOSISDBHSA-N 1 1 456.340 4.206 20 0 JIADMO Cc1cc2cc(C(=O)Nc3cccc(C[N@H+]4CCC[C@@H]4C(N)=O)c3)oc2c(Br)c1 ZINC001358343782 1068070335 /nfs/dbraw/zinc/07/03/35/1068070335.db2.gz FLMCSBYYTKTUQL-GOSISDBHSA-N 1 1 456.340 4.206 20 0 JIADMO COc1ccc(OCc2nnc(N3CCCO[C@@H](C)C3)n2CCC[N@@H+](C)C2CCCCC2)cc1 ZINC001300290171 1068093404 /nfs/dbraw/zinc/09/34/04/1068093404.db2.gz IPJAXOJNDFZXCB-NRFANRHFSA-N 1 1 471.646 4.136 20 0 JIADMO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+]1CC[C@@H](CC(C)(C)C)C1(C)C ZINC001473544106 1068232449 /nfs/dbraw/zinc/23/24/49/1068232449.db2.gz WXWGJKBDZKDYHY-HNNXBMFYSA-N 1 1 451.633 4.068 20 0 JIADMO C[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C1CCN(CCC(F)(F)F)CC1 ZINC001473544694 1068233409 /nfs/dbraw/zinc/23/34/09/1068233409.db2.gz IQVVGTRLTDSEMH-UHFFFAOYSA-N 1 1 455.521 4.405 20 0 JIADMO C[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C1CCN(CCC(F)(F)F)CC1 ZINC001473544694 1068233444 /nfs/dbraw/zinc/23/34/44/1068233444.db2.gz IQVVGTRLTDSEMH-UHFFFAOYSA-N 1 1 455.521 4.405 20 0 JIADMO CC(C)c1ccc([C@@H](CNC(=O)Nc2ccn(CC(=O)N(C)C)n2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000513908187 1068249632 /nfs/dbraw/zinc/24/96/32/1068249632.db2.gz WBKBOROPUFXONF-JOCHJYFZSA-N 1 1 494.665 4.077 20 0 JIADMO CC(C)c1ccc([C@@H](CNC(=O)Nc2ccn(CC(=O)N(C)C)n2)[N@H+]2CCc3sccc3C2)cc1 ZINC000513908187 1068249654 /nfs/dbraw/zinc/24/96/54/1068249654.db2.gz WBKBOROPUFXONF-JOCHJYFZSA-N 1 1 494.665 4.077 20 0 JIADMO CC1(C)CC[N@@H+](CCNC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001200365259 1068255555 /nfs/dbraw/zinc/25/55/55/1068255555.db2.gz ZVGGYEZVCRFSGY-UHFFFAOYSA-N 1 1 450.370 4.494 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CCC(C)C)CC2)c1 ZINC001300332983 1068286964 /nfs/dbraw/zinc/28/69/64/1068286964.db2.gz OYSUKLPQXSFRMW-AMGIVPHBSA-N 1 1 485.673 4.257 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc([C@H]4CCCOC4)n3CCC(C)(F)F)CC2)c1 ZINC001300333806 1068295098 /nfs/dbraw/zinc/29/50/98/1068295098.db2.gz DAGVGMMVKUQZNX-ICSRJNTNSA-N 1 1 463.573 4.109 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCC3(O)CCC3)CC2)c1 ZINC001300335126 1068305876 /nfs/dbraw/zinc/30/58/76/1068305876.db2.gz MPEJEXSBYRSJMQ-FQEVSTJZSA-N 1 1 455.647 4.064 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(Cc4ccsc4)n3C[C@@](C)(O)C(C)C)CC2)c1 ZINC001300335646 1068308489 /nfs/dbraw/zinc/30/84/89/1068308489.db2.gz VDPDNGABSCFFMS-FQRUVTKNSA-N 1 1 483.682 4.229 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc([C@@H]4CCCCO4)n3C[C@H](C)SC)CC2)c1 ZINC001300335980 1068309577 /nfs/dbraw/zinc/30/95/77/1068309577.db2.gz XPTHTMNFPSKPAS-IPJJNNNSSA-N 1 1 459.660 4.163 20 0 JIADMO CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1 ZINC001353545682 1068312265 /nfs/dbraw/zinc/31/22/65/1068312265.db2.gz ALAAYQZEGUVDEE-WOJBJXKFSA-N 1 1 457.640 4.068 20 0 JIADMO Cc1cc(NC(=O)C2CCN(C(=O)NC[C@@H](c3ccccc3)[N@@H+]3CCc4sccc4C3)CC2)no1 ZINC000503032267 1068313765 /nfs/dbraw/zinc/31/37/65/1068313765.db2.gz TUJASZCQDKHZQU-QFIPXVFZSA-N 1 1 493.633 4.204 20 0 JIADMO Cc1cc(NC(=O)C2CCN(C(=O)NC[C@@H](c3ccccc3)[N@H+]3CCc4sccc4C3)CC2)no1 ZINC000503032267 1068313774 /nfs/dbraw/zinc/31/37/74/1068313774.db2.gz TUJASZCQDKHZQU-QFIPXVFZSA-N 1 1 493.633 4.204 20 0 JIADMO C[C@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000520165593 1068321648 /nfs/dbraw/zinc/32/16/48/1068321648.db2.gz OYKANGMVVQOKPE-RXVVDRJESA-N 1 1 467.664 4.064 20 0 JIADMO O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522313911 1068339580 /nfs/dbraw/zinc/33/95/80/1068339580.db2.gz UWARCJGDIBPUFO-HNNXBMFYSA-N 1 1 458.335 4.224 20 0 JIADMO C[NH+]1CCN([C@H](C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c2ccccc2)CC1 ZINC001353612602 1068374215 /nfs/dbraw/zinc/37/42/15/1068374215.db2.gz LSQOMNCIYVCZIB-ZOYWYXQUSA-N 1 1 453.652 4.195 20 0 JIADMO 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 1068383562 /nfs/dbraw/zinc/38/35/62/1068383562.db2.gz DQXPMRYQOADIML-LMVRJCEZSA-N 1 1 495.590 4.478 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC001300377787 1068457665 /nfs/dbraw/zinc/45/76/65/1068457665.db2.gz LMDSKBRPEJJVOV-LVXARBLLSA-N 1 1 455.647 4.471 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001300378232 1068459788 /nfs/dbraw/zinc/45/97/88/1068459788.db2.gz ZZGKGUAPDQAAOC-NSHGMRRFSA-N 1 1 481.563 4.232 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)n2CCOC(C)C)c1 ZINC001300379768 1068465694 /nfs/dbraw/zinc/46/56/94/1068465694.db2.gz VAQDFENICYRJCH-VXKWHMMOSA-N 1 1 455.647 4.470 20 0 JIADMO Cc1cc(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)c(Br)s1 ZINC001353735696 1068526887 /nfs/dbraw/zinc/52/68/87/1068526887.db2.gz QSRFFYSKNNYYLK-INIZCTEOSA-N 1 1 450.402 4.238 20 0 JIADMO COc1cccc([C@@H]2CN(c3nnc(C(C)(C)C)n3CC[N@@H+](C)C3CCCCC3)CCO2)c1 ZINC001300406133 1068568971 /nfs/dbraw/zinc/56/89/71/1068568971.db2.gz AAJJNQNFGQSHBB-QHCPKHFHSA-N 1 1 455.647 4.427 20 0 JIADMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)C2(Cc3ccc(Cl)cc3)CC2)ccc1F ZINC001353829911 1068636154 /nfs/dbraw/zinc/63/61/54/1068636154.db2.gz QUGCCQDRUBXGBE-UHFFFAOYSA-N 1 1 459.949 4.101 20 0 JIADMO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001353844542 1068654331 /nfs/dbraw/zinc/65/43/31/1068654331.db2.gz GJPSQGIHSKWBIW-PTUXOGIPSA-N 1 1 453.583 4.373 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)c3nccs3)CC2)c1 ZINC001300450490 1068755418 /nfs/dbraw/zinc/75/54/18/1068755418.db2.gz FJWAJDMAHVNACW-IBGZPJMESA-N 1 1 484.670 4.045 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(CC(C)(C)C)n3Cc3ccncc3Cl)CC2)c1 ZINC001300451647 1068758963 /nfs/dbraw/zinc/75/89/63/1068758963.db2.gz MTCCSEKJFVWEJO-UHFFFAOYSA-N 1 1 499.059 4.173 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(C(C)C)n3C[C@H]3CCCO[C@@H]3C(C)(C)C)CC2)c1 ZINC001300452680 1068762214 /nfs/dbraw/zinc/76/22/14/1068762214.db2.gz ZXDFUMONSAIBGQ-RDGATRHJSA-N 1 1 499.700 4.452 20 0 JIADMO COc1ccccc1[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)OC(C)C ZINC001300455915 1068774804 /nfs/dbraw/zinc/77/48/04/1068774804.db2.gz DLZVFWZGDWXSPK-DEOSSOPVSA-N 1 1 495.672 4.164 20 0 JIADMO C[NH+]1CCN([C@H](C(=O)OCCc2cc3cc(Br)ccc3o2)c2ccccc2)CC1 ZINC001353945785 1068783320 /nfs/dbraw/zinc/78/33/20/1068783320.db2.gz SHPWMLPSDANARB-QFIPXVFZSA-N 1 1 457.368 4.270 20 0 JIADMO COc1ccccc1-c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001300462981 1068800783 /nfs/dbraw/zinc/80/07/83/1068800783.db2.gz BFAXSFPCRZIYSO-FYYLOGMGSA-N 1 1 468.690 4.242 20 0 JIADMO COc1ccccc1-c1nnc(N(C)Cc2cnc(C)s2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001300469349 1068809916 /nfs/dbraw/zinc/80/99/16/1068809916.db2.gz HYEIWQWQQBUXOF-NRFANRHFSA-N 1 1 454.644 4.475 20 0 JIADMO COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)C(=S)NCc2cccc(OC)c2OC)cc1 ZINC001200521117 1068811652 /nfs/dbraw/zinc/81/16/52/1068811652.db2.gz NJFBSFWUPOIRIU-OAQYLSRUSA-N 1 1 457.640 4.073 20 0 JIADMO COc1ccccc1-c1nnc(N(Cc2cccs2)C(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001300473561 1068818174 /nfs/dbraw/zinc/81/81/74/1068818174.db2.gz GWBLVGYVNXPFCB-LJQANCHMSA-N 1 1 455.628 4.151 20 0 JIADMO COc1ccccc1-c1nnc(N(C)[C@@H](C)C2CCCCC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001300473842 1068819398 /nfs/dbraw/zinc/81/93/98/1068819398.db2.gz OVZMPRAEULJBAA-FQEVSTJZSA-N 1 1 455.647 4.470 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[C@H](C(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300481958 1068837042 /nfs/dbraw/zinc/83/70/42/1068837042.db2.gz STMGNXCKHHVVTJ-HBMCJLEFSA-N 1 1 455.647 4.324 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[C@H](C(C)(C)C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001300483531 1068839521 /nfs/dbraw/zinc/83/95/21/1068839521.db2.gz PHCDFLYUQQUHKZ-QFIPXVFZSA-N 1 1 468.690 4.100 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001492568051 1068840568 /nfs/dbraw/zinc/84/05/68/1068840568.db2.gz QCTGFXFGPHOOIH-OAQYLSRUSA-N 1 1 470.662 4.429 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC001354029180 1068843097 /nfs/dbraw/zinc/84/30/97/1068843097.db2.gz GLORATSKAXWWCJ-UHFFFAOYSA-N 1 1 456.424 4.101 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001492568360 1068844202 /nfs/dbraw/zinc/84/42/02/1068844202.db2.gz NKZPCFGYTOLXFU-LEWJYISDSA-N 1 1 478.607 4.447 20 0 JIADMO COc1cc(NC(=S)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(OC)cc1Cl ZINC001200534773 1068844551 /nfs/dbraw/zinc/84/45/51/1068844551.db2.gz CGLQZVFYRIVVHL-UHFFFAOYSA-N 1 1 461.031 4.437 20 0 JIADMO CCS(=O)(=O)c1ccccc1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cc[nH+]c1C ZINC001354029956 1068844614 /nfs/dbraw/zinc/84/46/14/1068844614.db2.gz RGEHZRGJIUXVJF-UHFFFAOYSA-N 1 1 451.470 4.174 20 0 JIADMO COc1cc(NC(=S)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(OC)cc1Cl ZINC001200535051 1068845400 /nfs/dbraw/zinc/84/54/00/1068845400.db2.gz FMJPDVNCVZNKMF-DOTOQJQBSA-N 1 1 465.978 4.031 20 0 JIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCN(c4ccc(Cl)cc4Cl)CC3)CC2)cs1 ZINC001300486280 1068846839 /nfs/dbraw/zinc/84/68/39/1068846839.db2.gz AGVGAJKNHNGBRU-UHFFFAOYSA-N 1 1 453.439 4.319 20 0 JIADMO COc1cc(NC(=S)N2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c(OC)cc1Cl ZINC001200539705 1068853827 /nfs/dbraw/zinc/85/38/27/1068853827.db2.gz HRBBKVQHJBNBND-OAHLLOKOSA-N 1 1 499.077 4.117 20 0 JIADMO COCC[S@@](=O)Cc1cccc(NC(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC001200543211 1068860799 /nfs/dbraw/zinc/86/07/99/1068860799.db2.gz RYOQKVKYENUXAT-GPNASLBKSA-N 1 1 457.640 4.100 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001300499687 1068867619 /nfs/dbraw/zinc/86/76/19/1068867619.db2.gz TVGMSXXHKNCLLD-PMACEKPBSA-N 1 1 498.672 4.178 20 0 JIADMO CN1C[C@@H](C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)[C@H](c2ccccc2)C1 ZINC001474595379 1068884542 /nfs/dbraw/zinc/88/45/42/1068884542.db2.gz JTGKJIVSNIWHEW-MEOUNUOGSA-N 1 1 456.030 4.081 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001300513745 1068894866 /nfs/dbraw/zinc/89/48/66/1068894866.db2.gz PIYQARBJJHEPPS-IRLDBZIGSA-N 1 1 498.672 4.178 20 0 JIADMO COc1ccccc1-c1nnc(N2CCN3CCCC[C@H]3C2)n1CCC[NH+](C(C)C)C(C)C ZINC001300513830 1068894925 /nfs/dbraw/zinc/89/49/25/1068894925.db2.gz RLEJLICUBGDYLN-QFIPXVFZSA-N 1 1 454.663 4.137 20 0 JIADMO Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1NC(=O)OC(C)(C)C ZINC001354156341 1068935993 /nfs/dbraw/zinc/93/59/93/1068935993.db2.gz JHSHVMSCVPZCMC-WMZHIEFXSA-N 1 1 453.583 4.361 20 0 JIADMO Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1NC(=O)OC(C)(C)C ZINC001354156341 1068936001 /nfs/dbraw/zinc/93/60/01/1068936001.db2.gz JHSHVMSCVPZCMC-WMZHIEFXSA-N 1 1 453.583 4.361 20 0 JIADMO COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001354156967 1068936873 /nfs/dbraw/zinc/93/68/73/1068936873.db2.gz PHRFGEWRNZFABR-IBVKSMDESA-N 1 1 458.558 4.160 20 0 JIADMO COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001354156967 1068936886 /nfs/dbraw/zinc/93/68/86/1068936886.db2.gz PHRFGEWRNZFABR-IBVKSMDESA-N 1 1 458.558 4.160 20 0 JIADMO COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001354156971 1068937023 /nfs/dbraw/zinc/93/70/23/1068937023.db2.gz PHRFGEWRNZFABR-RXFWQSSRSA-N 1 1 458.558 4.160 20 0 JIADMO COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001354156971 1068937038 /nfs/dbraw/zinc/93/70/38/1068937038.db2.gz PHRFGEWRNZFABR-RXFWQSSRSA-N 1 1 458.558 4.160 20 0 JIADMO CCN(CC)c1nc2sc(C(=O)N[C@@H](C)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cc2s1 ZINC001354156918 1068937077 /nfs/dbraw/zinc/93/70/77/1068937077.db2.gz PAIBBYNONFCTCK-WMZOPIPTSA-N 1 1 458.653 4.223 20 0 JIADMO CCN(CC)c1nc2sc(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2s1 ZINC001354156918 1068937089 /nfs/dbraw/zinc/93/70/89/1068937089.db2.gz PAIBBYNONFCTCK-WMZOPIPTSA-N 1 1 458.653 4.223 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(=S)Nc3ccc(F)c(Cl)c3)C2)C1 ZINC001200584364 1068952529 /nfs/dbraw/zinc/95/25/29/1068952529.db2.gz ITIDYVWNNIYMFK-JOCHJYFZSA-N 1 1 467.010 4.395 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(=S)Nc3ccc(F)c(Cl)c3)C2)C1 ZINC001200584364 1068952535 /nfs/dbraw/zinc/95/25/35/1068952535.db2.gz ITIDYVWNNIYMFK-JOCHJYFZSA-N 1 1 467.010 4.395 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)C[C@@H]2CCCOC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001300539439 1068966746 /nfs/dbraw/zinc/96/67/46/1068966746.db2.gz GDLQQKCULPEATB-VXKWHMMOSA-N 1 1 469.674 4.251 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)Cc2cscn2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001300539697 1068967829 /nfs/dbraw/zinc/96/78/29/1068967829.db2.gz KXONWWOFBIVUJF-IBGZPJMESA-N 1 1 454.644 4.091 20 0 JIADMO Cc1ccccc1-c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CCOCC(F)F ZINC001492568721 1068977732 /nfs/dbraw/zinc/97/77/32/1068977732.db2.gz XJGSJUVHZPDVJS-GOSISDBHSA-N 1 1 461.582 4.480 20 0 JIADMO 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 1068979366 /nfs/dbraw/zinc/97/93/66/1068979366.db2.gz VKWHDXFXYGYRHP-UTJXIGIESA-N 1 1 464.242 4.071 20 0 JIADMO COc1ccccc1Cc1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300548220 1068990563 /nfs/dbraw/zinc/99/05/63/1068990563.db2.gz XVTOJEAKBVDPNE-SFTDATJTSA-N 1 1 469.674 4.392 20 0 JIADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492572087 1069025554 /nfs/dbraw/zinc/02/55/54/1069025554.db2.gz RSRHPCCUSQGGBC-NRFANRHFSA-N 1 1 479.629 4.342 20 0 JIADMO CC(C)Cc1ccc(CCC(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC001354262921 1069033681 /nfs/dbraw/zinc/03/36/81/1069033681.db2.gz YOLFWIZVGUZIPM-UHFFFAOYSA-N 1 1 455.574 4.256 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@@](C)(OC)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001300562325 1069036663 /nfs/dbraw/zinc/03/66/63/1069036663.db2.gz JKBUZFBDHMONBN-BKMJKUGQSA-N 1 1 455.647 4.003 20 0 JIADMO CC(C)Cn1cc([C@H]2[N@H+](Cc3cn(C)nc3-c3ccc4c(c3)OCCCO4)CC23CCOCC3)cn1 ZINC000849477925 1069047022 /nfs/dbraw/zinc/04/70/22/1069047022.db2.gz DIWSFWUBWYJGFC-HHHXNRCGSA-N 1 1 491.636 4.455 20 0 JIADMO CC(C)Cn1cc([C@H]2[N@@H+](Cc3cn(C)nc3-c3ccc4c(c3)OCCCO4)CC23CCOCC3)cn1 ZINC000849477925 1069047036 /nfs/dbraw/zinc/04/70/36/1069047036.db2.gz DIWSFWUBWYJGFC-HHHXNRCGSA-N 1 1 491.636 4.455 20 0 JIADMO Cc1nc(-c2ccc(CCNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)cs1 ZINC000849486019 1069052800 /nfs/dbraw/zinc/05/28/00/1069052800.db2.gz DODYKALAXFAKDJ-GOTSBHOMSA-N 1 1 451.640 4.025 20 0 JIADMO COc1ccc(C)cc1-c1csc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n1 ZINC000849491099 1069057640 /nfs/dbraw/zinc/05/76/40/1069057640.db2.gz QZGFVIRJDGFSJC-AZUAARDMSA-N 1 1 453.612 4.313 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849491538 1069060328 /nfs/dbraw/zinc/06/03/28/1069060328.db2.gz YXFBKLFNQVMCKY-RPBOFIJWSA-N 1 1 450.558 4.482 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](C)c1c(C)noc1C ZINC001300567289 1069060548 /nfs/dbraw/zinc/06/05/48/1069060548.db2.gz KWAALORWSVUSQW-LJQANCHMSA-N 1 1 466.630 4.207 20 0 JIADMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1(c2cccc(Br)c2)CCCC1 ZINC001300567490 1069061347 /nfs/dbraw/zinc/06/13/47/1069061347.db2.gz SPIGGXBPOFINMR-QFIPXVFZSA-N 1 1 457.412 4.144 20 0 JIADMO COc1ccccc1C(=O)Nc1ccc(OC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849492727 1069062858 /nfs/dbraw/zinc/06/28/58/1069062858.db2.gz XTQNHAUWFRWGHN-VWNXMTODSA-N 1 1 476.577 4.101 20 0 JIADMO CCOC(=O)c1sc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849493853 1069063744 /nfs/dbraw/zinc/06/37/44/1069063744.db2.gz MODFMJKODUNMOL-UXHICEINSA-N 1 1 481.622 4.173 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849493641 1069064651 /nfs/dbraw/zinc/06/46/51/1069064651.db2.gz YIDMRYDXVKCRPE-VSGBNLITSA-N 1 1 496.659 4.462 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cn1 ZINC000849494615 1069066963 /nfs/dbraw/zinc/06/69/63/1069066963.db2.gz WQXDYJRTUWUDOO-RTBURBONSA-N 1 1 486.498 4.104 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)[C@H](c2cnn(C)c2)C1 ZINC000849496493 1069068571 /nfs/dbraw/zinc/06/85/71/1069068571.db2.gz KPTQDKZVZIUVFG-MOPGFXCFSA-N 1 1 469.973 4.371 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849499024 1069070459 /nfs/dbraw/zinc/07/04/59/1069070459.db2.gz CIIKLEMLFOKOCT-KYPHJKQUSA-N 1 1 488.611 4.281 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849499626 1069071366 /nfs/dbraw/zinc/07/13/66/1069071366.db2.gz XGAKKWMAIOBLCR-FTJBHMTQSA-N 1 1 464.585 4.269 20 0 JIADMO CCOC(=O)c1cc2cc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)ccc2s1 ZINC000849500200 1069072248 /nfs/dbraw/zinc/07/22/48/1069072248.db2.gz XGNLXYZETGGVII-WOJBJXKFSA-N 1 1 454.596 4.264 20 0 JIADMO COc1ccc2[nH]cc(C3=CCN(C(=O)[C@H]4CC[N@H+](C(C)C)C[C@H]4c4cnn(C)c4)CC3)c2c1 ZINC000849502177 1069074743 /nfs/dbraw/zinc/07/47/43/1069074743.db2.gz ZCRRYFOJUDGIJH-DHLKQENFSA-N 1 1 461.610 4.040 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNCc1ncc(I)s1 ZINC001200620552 1069075750 /nfs/dbraw/zinc/07/57/50/1069075750.db2.gz DERIOUAHMYXMKT-UHFFFAOYSA-N 1 1 453.349 4.263 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849505576 1069087056 /nfs/dbraw/zinc/08/70/56/1069087056.db2.gz IGBUFYKRLIQZMO-VQTJNVASSA-N 1 1 460.504 4.077 20 0 JIADMO Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849507223 1069087287 /nfs/dbraw/zinc/08/72/87/1069087287.db2.gz PPUBVQMDQYZYNS-ILBGXUMGSA-N 1 1 462.642 4.004 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000849507414 1069088041 /nfs/dbraw/zinc/08/80/41/1069088041.db2.gz ZGPOMRSSFTWRTM-GOTSBHOMSA-N 1 1 462.560 4.346 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCC=C(C)C ZINC001300574376 1069093086 /nfs/dbraw/zinc/09/30/86/1069093086.db2.gz WOOIJAZNKKJOBR-PSWAGMNNSA-N 1 1 480.701 4.229 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001300574607 1069094362 /nfs/dbraw/zinc/09/43/62/1069094362.db2.gz ZQJHIXFRHDSTIE-XZOQPEGZSA-N 1 1 469.674 4.249 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001300574604 1069094458 /nfs/dbraw/zinc/09/44/58/1069094458.db2.gz ZQJHIXFRHDSTIE-DHIUTWEWSA-N 1 1 469.674 4.249 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849510836 1069095460 /nfs/dbraw/zinc/09/54/60/1069095460.db2.gz VEXNSRQRQUMUQB-XPWALMASSA-N 1 1 473.459 4.230 20 0 JIADMO COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849512214 1069095678 /nfs/dbraw/zinc/09/56/78/1069095678.db2.gz BIJFNJDFTNQVGG-OUIFVKKZSA-N 1 1 460.622 4.124 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](c2nc3ccccc3n2C)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849511574 1069096359 /nfs/dbraw/zinc/09/63/59/1069096359.db2.gz ZVYNJUJLDKTRDA-FXSPECFOSA-N 1 1 470.621 4.027 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)[C@H](c2cnn(C)c2)C1 ZINC000849513856 1069098331 /nfs/dbraw/zinc/09/83/31/1069098331.db2.gz FGSZVNDOWJKEDO-RPWUZVMVSA-N 1 1 467.589 4.119 20 0 JIADMO Cc1cc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000849515366 1069099144 /nfs/dbraw/zinc/09/91/44/1069099144.db2.gz GEQRPXUTQCILPC-DLBZAZTESA-N 1 1 480.922 4.260 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC(C)(C)c2cccc(Br)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849514895 1069099576 /nfs/dbraw/zinc/09/95/76/1069099576.db2.gz JPFFKGMSTGSDLK-LEWJYISDSA-N 1 1 461.448 4.091 20 0 JIADMO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)n(-c2cccc(Br)c2)n1 ZINC000849514571 1069101008 /nfs/dbraw/zinc/10/10/08/1069101008.db2.gz IEFYNEZUUFHYRO-RTWAWAEBSA-N 1 1 485.430 4.129 20 0 JIADMO 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 1069101717 /nfs/dbraw/zinc/10/17/17/1069101717.db2.gz ZXCNVFOOFRLJLX-PMVMPFDFSA-N 1 1 459.631 4.026 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849516991 1069103547 /nfs/dbraw/zinc/10/35/47/1069103547.db2.gz RRWCNQOIHWWNMU-DQEYMECFSA-N 1 1 474.609 4.194 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849516636 1069104495 /nfs/dbraw/zinc/10/44/95/1069104495.db2.gz LDYQWBLUMMTAQC-UIOOFZCWSA-N 1 1 457.622 4.435 20 0 JIADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(CCOc2ccccc2Cl)CC1 ZINC001354322609 1069105693 /nfs/dbraw/zinc/10/56/93/1069105693.db2.gz IBQVBKZDUNJKIN-DNQXCXABSA-N 1 1 470.057 4.411 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)[C@@H](c2cnn(C)c2)C1 ZINC000849518826 1069108835 /nfs/dbraw/zinc/10/88/35/1069108835.db2.gz SJFAPCKDPGTHMI-ZRBLBEILSA-N 1 1 462.598 4.038 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518619 1069110031 /nfs/dbraw/zinc/11/00/31/1069110031.db2.gz SBVGNCRSBXCBML-URLMMPGGSA-N 1 1 496.659 4.462 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849520490 1069113478 /nfs/dbraw/zinc/11/34/78/1069113478.db2.gz NHKUYKBXJGDPRR-XZOQPEGZSA-N 1 1 477.584 4.193 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849521753 1069115212 /nfs/dbraw/zinc/11/52/12/1069115212.db2.gz GRIJUNUKMCMAOM-RPBOFIJWSA-N 1 1 460.578 4.230 20 0 JIADMO CC(C)COc1ccc(C(C)(C)CNC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849524313 1069117473 /nfs/dbraw/zinc/11/74/73/1069117473.db2.gz ZULUTIADWVZCRI-LOSJGSFVSA-N 1 1 454.659 4.363 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849525313 1069118155 /nfs/dbraw/zinc/11/81/55/1069118155.db2.gz MQCGZPNHJWJVHI-SJORKVTESA-N 1 1 481.544 4.424 20 0 JIADMO C[NH+]1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)c2ccc(C(C)(C)C)c(Cl)c2)CC1 ZINC001354338542 1069121865 /nfs/dbraw/zinc/12/18/65/1069121865.db2.gz ORVXOXTWLDMYHC-QHCPKHFHSA-N 1 1 454.014 4.373 20 0 JIADMO 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 1069123441 /nfs/dbraw/zinc/12/34/41/1069123441.db2.gz PVMDIEKPEPKSNG-UXHICEINSA-N 1 1 460.022 4.007 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849527142 1069125050 /nfs/dbraw/zinc/12/50/50/1069125050.db2.gz VDMFHEMCDKCLBQ-LEWJYISDSA-N 1 1 472.033 4.152 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849529794 1069133325 /nfs/dbraw/zinc/13/33/25/1069133325.db2.gz KBSWCAGNNWTEJG-LEWJYISDSA-N 1 1 457.688 4.394 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)CC23CCOCC3)cn1 ZINC000849531216 1069135505 /nfs/dbraw/zinc/13/55/05/1069135505.db2.gz HDBDUBUOZVZXIQ-MCEYFSPLSA-N 1 1 480.653 4.142 20 0 JIADMO COc1ccccc1CCn1c(-c2cccc(C)n2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300589693 1069147064 /nfs/dbraw/zinc/14/70/64/1069147064.db2.gz OSEKWDSYBZXZHJ-UHFFFAOYSA-N 1 1 462.642 4.456 20 0 JIADMO CC(C)Cn1cc([C@H]2N(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC23CCOCC3)cn1 ZINC000849535133 1069149431 /nfs/dbraw/zinc/14/94/31/1069149431.db2.gz CRCIALIVOABEPB-JWQCQUIFSA-N 1 1 468.617 4.413 20 0 JIADMO CC(C)Cn1cc([C@H]2N(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC23CCOCC3)cn1 ZINC000849535133 1069149448 /nfs/dbraw/zinc/14/94/48/1069149448.db2.gz CRCIALIVOABEPB-JWQCQUIFSA-N 1 1 468.617 4.413 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849546410 1069181171 /nfs/dbraw/zinc/18/11/71/1069181171.db2.gz ANKNWJJTAHWNLJ-DVIHYUSWSA-N 1 1 470.683 4.454 20 0 JIADMO CCCCOCCN(C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)c1ccc(Br)cc1 ZINC000849548566 1069188156 /nfs/dbraw/zinc/18/81/56/1069188156.db2.gz NAJPFBJSLZGHMM-FCHUYYIVSA-N 1 1 477.447 4.068 20 0 JIADMO COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849552376 1069191733 /nfs/dbraw/zinc/19/17/33/1069191733.db2.gz FBNRWLWOUPOLPU-RBBKRZOGSA-N 1 1 482.968 4.326 20 0 JIADMO COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849552312 1069193482 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/nfs/dbraw/zinc/19/85/93/1069198593.db2.gz YZHXMIDRGDDABG-FGZHOGPDSA-N 1 1 451.640 4.025 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)cn1 ZINC000849554852 1069200709 /nfs/dbraw/zinc/20/07/09/1069200709.db2.gz WMTKWQSQDXKCSQ-GJZGRUSLSA-N 1 1 462.488 4.470 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000849555129 1069200926 /nfs/dbraw/zinc/20/09/26/1069200926.db2.gz XHZJEMUPAUHGTF-YADHBBJMSA-N 1 1 465.425 4.080 20 0 JIADMO COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CCN(C(=S)Nc1cc(F)cc(F)c1)CC2 ZINC001200662447 1069209971 /nfs/dbraw/zinc/20/99/71/1069209971.db2.gz JSHYITUIQCAWFR-GOSISDBHSA-N 1 1 452.596 4.121 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CCN(C(=S)Nc1cc(F)cc(F)c1)CC2 ZINC001200662447 1069209986 /nfs/dbraw/zinc/20/99/86/1069209986.db2.gz JSHYITUIQCAWFR-GOSISDBHSA-N 1 1 452.596 4.121 20 0 JIADMO COc1ccc(F)cc1-c1csc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)n1 ZINC000849562180 1069210573 /nfs/dbraw/zinc/21/05/73/1069210573.db2.gz JTJSRUDDOJDYNS-MJGOQNOKSA-N 1 1 457.575 4.144 20 0 JIADMO COc1ccccc1CN1CCN(c2nnc(C(C)C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300610307 1069213500 /nfs/dbraw/zinc/21/35/00/1069213500.db2.gz MTCXJNAPHKVKNX-PSWAGMNNSA-N 1 1 482.717 4.490 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(I)ccc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849563689 1069213362 /nfs/dbraw/zinc/21/33/62/1069213362.db2.gz RUJMQEWGXRGUJV-HOTGVXAUSA-N 1 1 486.785 4.131 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cn1 ZINC000849568413 1069219993 /nfs/dbraw/zinc/21/99/93/1069219993.db2.gz NYNKAVNSVIVIPJ-VJGNERBWSA-N 1 1 492.067 4.043 20 0 JIADMO 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 1069220241 /nfs/dbraw/zinc/22/02/41/1069220241.db2.gz RFZNIDQYHWMZAK-FTJBHMTQSA-N 1 1 495.716 4.008 20 0 JIADMO 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 1069221955 /nfs/dbraw/zinc/22/19/55/1069221955.db2.gz IKTXUVLVPUHLDS-ZWOKBUDYSA-N 1 1 454.924 4.395 20 0 JIADMO COc1ccc(CN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000849570790 1069222187 /nfs/dbraw/zinc/22/21/87/1069222187.db2.gz DHPMBNYCPLSUIC-CDIGIKMISA-N 1 1 468.642 4.080 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)cn1 ZINC000849571547 1069223796 /nfs/dbraw/zinc/22/37/96/1069223796.db2.gz JGPJPQFAKDSGOA-RPWUZVMVSA-N 1 1 481.438 4.447 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)[C@@H](c2cnn(C)c2)C1 ZINC000849575075 1069227219 /nfs/dbraw/zinc/22/72/19/1069227219.db2.gz BLFYGCCPCZRMPC-BHIFYINESA-N 1 1 475.033 4.474 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(OCc3ccccc3F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849578004 1069229618 /nfs/dbraw/zinc/22/96/18/1069229618.db2.gz KEALODCZRVUFRM-RPBOFIJWSA-N 1 1 464.585 4.269 20 0 JIADMO CCCOc1ccc(CN(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849577730 1069229981 /nfs/dbraw/zinc/22/99/81/1069229981.db2.gz SKIVLSVHIIKOHB-KAYWLYCHSA-N 1 1 460.622 4.473 20 0 JIADMO 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 1069230132 /nfs/dbraw/zinc/23/01/32/1069230132.db2.gz OAZBACBQIRSZPD-FKBYEOEOSA-N 1 1 477.422 4.403 20 0 JIADMO CCc1c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1ccccc1Cl ZINC000849581598 1069233237 /nfs/dbraw/zinc/23/32/37/1069233237.db2.gz IAQQMOWKJNKTAE-MOPGFXCFSA-N 1 1 455.006 4.274 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc3cc(F)c(Br)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC000849582032 1069233364 /nfs/dbraw/zinc/23/33/64/1069233364.db2.gz KDURYRVXCHZBGA-UONOGXRCSA-N 1 1 480.407 4.384 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(C)Cc2ccc(Br)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849583343 1069233813 /nfs/dbraw/zinc/23/38/13/1069233813.db2.gz SUSIWWWZBZKNCB-OALUTQOASA-N 1 1 467.839 4.309 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849587285 1069237869 /nfs/dbraw/zinc/23/78/69/1069237869.db2.gz SIJVECUAGHOXLI-NNMXDRDESA-N 1 1 477.422 4.499 20 0 JIADMO Cc1nc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)sc1Cc1cccc(Cl)c1F ZINC000849586747 1069238478 /nfs/dbraw/zinc/23/84/78/1069238478.db2.gz FTBOXUGEVMFMHR-SJORKVTESA-N 1 1 461.994 4.242 20 0 JIADMO COc1ccc(CN(CC2CCC2)C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c(OC)c1 ZINC000849588081 1069240031 /nfs/dbraw/zinc/24/00/31/1069240031.db2.gz PIOAOEUVIPNJBA-JWQCQUIFSA-N 1 1 468.642 4.080 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849588568 1069241408 /nfs/dbraw/zinc/24/14/08/1069241408.db2.gz ROTINXWKLPHDHB-ROUUACIJSA-N 1 1 456.484 4.343 20 0 JIADMO 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 1069243066 /nfs/dbraw/zinc/24/30/66/1069243066.db2.gz FPPWRORWWVXOMP-FDFHNCONSA-N 1 1 464.532 4.400 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1cccs1 ZINC001492576504 1069244601 /nfs/dbraw/zinc/24/46/01/1069244601.db2.gz UWDZMSNDCZUECX-UHFFFAOYSA-N 1 1 453.656 4.082 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849595497 1069246141 /nfs/dbraw/zinc/24/61/41/1069246141.db2.gz XXWXXSLPOJVUBJ-LEWJYISDSA-N 1 1 467.614 4.022 20 0 JIADMO Cc1sc(C2(NC(=O)[C@@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)CCC2)nc1-c1ccccc1F ZINC000849596371 1069248696 /nfs/dbraw/zinc/24/86/96/1069248696.db2.gz MTZQFDBTXLUHKL-QUCCMNQESA-N 1 1 467.614 4.222 20 0 JIADMO 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 1069253988 /nfs/dbraw/zinc/25/39/88/1069253988.db2.gz VKFFHTSQNRROEZ-GJZGRUSLSA-N 1 1 464.410 4.054 20 0 JIADMO COc1cccc(Sc2ccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)nc2)c1 ZINC000849608019 1069264787 /nfs/dbraw/zinc/26/47/87/1069264787.db2.gz MDCYTBHWNFTISC-PKTZIBPZSA-N 1 1 465.623 4.428 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000849610499 1069266349 /nfs/dbraw/zinc/26/63/49/1069266349.db2.gz JSRQLYAPNFZGGD-RRPUWOKSSA-N 1 1 455.027 4.345 20 0 JIADMO COc1ccccc1OCc1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@H+]1CCC[C@H]1C ZINC001300628177 1069267237 /nfs/dbraw/zinc/26/72/37/1069267237.db2.gz UAQFZSQFDWFIFP-GOSISDBHSA-N 1 1 471.005 4.035 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2nc(-c3sccc3Br)cs2)cn1 ZINC000849611277 1069269849 /nfs/dbraw/zinc/26/98/49/1069269849.db2.gz VXXLOHLBTHVZOK-STQMWFEESA-N 1 1 466.430 4.042 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CC(C)(C)c3ccc(Br)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849610727 1069272000 /nfs/dbraw/zinc/27/20/00/1069272000.db2.gz NHUDQGJDEGZPHE-RTBURBONSA-N 1 1 459.432 4.321 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)[C@@H](c2cnn(C)c2)C1 ZINC000849613039 1069274574 /nfs/dbraw/zinc/27/45/74/1069274574.db2.gz PFJFBRYHANAZGJ-DLBZAZTESA-N 1 1 489.443 4.154 20 0 JIADMO COc1ccccc1OCc1nnc(N(C)CC2CC(F)(F)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001300631808 1069281247 /nfs/dbraw/zinc/28/12/47/1069281247.db2.gz SKNKLZMMMMPGGW-MOPGFXCFSA-N 1 1 477.600 4.468 20 0 JIADMO Cc1ccccc1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001492591704 1069306043 /nfs/dbraw/zinc/30/60/43/1069306043.db2.gz LWMHSTFPYQARPC-HOFKKMOUSA-N 1 1 469.674 4.384 20 0 JIADMO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000061695607 563209589 /nfs/dbraw/zinc/20/95/89/563209589.db2.gz MKNNWVHPBTUYHG-IRXDYDNUSA-N 1 1 450.004 4.192 20 0 JIADMO O=C1Nc2ccccc2[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]12 ZINC001164401477 718858076 /nfs/dbraw/zinc/85/80/76/718858076.db2.gz FENHXXMCHKYJBS-OALUTQOASA-N 1 1 459.619 4.338 20 0 JIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@@H]3C)nc1 ZINC001164428028 718952199 /nfs/dbraw/zinc/95/21/99/718952199.db2.gz HTAANTJSZSGRBQ-RDGATRHJSA-N 1 1 477.653 4.118 20 0 JIADMO CN(C)C(=O)c1cc2cnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2n1C1CCCC1 ZINC001164621094 719078715 /nfs/dbraw/zinc/07/87/15/719078715.db2.gz HAVJNTRHCLAAOZ-OFVILXPXSA-N 1 1 472.637 4.349 20 0 JIADMO O=C(c1cccnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CCN(Cc2ccccc2)CC1 ZINC001164628975 719087430 /nfs/dbraw/zinc/08/74/30/719087430.db2.gz PHHHQGBGBFBLEC-XRKRLSELSA-N 1 1 495.671 4.140 20 0 JIADMO COc1ccc(Cn2cc3[nH]c(N4CCC[C@@H]5C[N@@H+](Cc6ccccc6)C[C@H]54)ccc-3c2=O)cc1 ZINC001164629032 719095280 /nfs/dbraw/zinc/09/52/80/719095280.db2.gz QBAMQMROZKCRQZ-YIXXDRMTSA-N 1 1 468.601 4.347 20 0 JIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164653604 719316576 /nfs/dbraw/zinc/31/65/76/719316576.db2.gz XOBNPLUDSVBUOT-QHCPKHFHSA-N 1 1 458.969 4.326 20 0 JIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(N4CCN(c5ccccc5)CC4)nn2)CC3)cs1 ZINC001164692129 719813915 /nfs/dbraw/zinc/81/39/15/719813915.db2.gz MELFWPQORFDZGZ-UHFFFAOYSA-N 1 1 489.693 4.203 20 0 JIADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001164707466 719867522 /nfs/dbraw/zinc/86/75/22/719867522.db2.gz SXHDGGABYKKFOF-UUOWRZLLSA-N 1 1 487.025 4.244 20 0 JIADMO CCOC(=O)c1sc2ncnc(N3CCC4(C[C@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)c2c1C ZINC001164711483 720094481 /nfs/dbraw/zinc/09/44/81/720094481.db2.gz PUCTZDQXNUREMB-HXUWFJFHSA-N 1 1 495.649 4.079 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(OC)c1)CC2 ZINC001164710985 720098940 /nfs/dbraw/zinc/09/89/40/720098940.db2.gz MNWBTCZIZBWUBI-IBGZPJMESA-N 1 1 466.960 4.191 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)cc1-c1ccncc1)CC2 ZINC001164712083 720101493 /nfs/dbraw/zinc/10/14/93/720101493.db2.gz VERNIUIQGFNDPO-OAQYLSRUSA-N 1 1 465.001 4.095 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001164716058 720114986 /nfs/dbraw/zinc/11/49/86/720114986.db2.gz ISSCULJPGJCPNR-SFHVURJKSA-N 1 1 454.924 4.322 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001164719120 720123683 /nfs/dbraw/zinc/12/36/83/720123683.db2.gz WMQPDWNEWLKFOC-HSZRJFAPSA-N 1 1 470.061 4.233 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1N1CCCC1)CC2 ZINC001164713023 720138372 /nfs/dbraw/zinc/13/83/72/720138372.db2.gz OYDQFCZIFQCZRA-HSZRJFAPSA-N 1 1 472.637 4.133 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3ccc(F)cc31)CC2 ZINC001164713042 720150247 /nfs/dbraw/zinc/15/02/47/720150247.db2.gz PGIOGZWSWAYFPQ-LJQANCHMSA-N 1 1 455.965 4.325 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3ccc(F)cc31)CC2 ZINC001164713041 720150693 /nfs/dbraw/zinc/15/06/93/720150693.db2.gz PGIOGZWSWAYFPQ-IBGZPJMESA-N 1 1 455.965 4.325 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3cc(OC)c(F)cc31)CC2 ZINC001164711764 720154932 /nfs/dbraw/zinc/15/49/32/720154932.db2.gz JXUBLRIHZQEMHH-NRFANRHFSA-N 1 1 450.558 4.285 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164817535 720168371 /nfs/dbraw/zinc/16/83/71/720168371.db2.gz PSTYKUPICKJPLQ-RLWLMLJZSA-N 1 1 469.699 4.089 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3cnccn3)nc3sc4c(c31)CCCC4)C2 ZINC001164816808 720185946 /nfs/dbraw/zinc/18/59/46/720185946.db2.gz MUVCDFUXIKSSFW-WINIVTDRSA-N 1 1 490.677 4.212 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)C2 ZINC001164816635 720188730 /nfs/dbraw/zinc/18/87/30/720188730.db2.gz LXLJXYVFESXHNS-RBJSKKJNSA-N 1 1 461.654 4.319 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OCc4ccccc4)ccc31)C2 ZINC001164812841 720196954 /nfs/dbraw/zinc/19/69/54/720196954.db2.gz MMIQGBAUENNHRB-NEKDWFFYSA-N 1 1 458.606 4.394 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(OCc3ccccc3)cc1Cl)CCC2 ZINC001164814518 720232541 /nfs/dbraw/zinc/23/25/41/720232541.db2.gz WUYCZBHJUMGPNA-UHFFFAOYSA-N 1 1 468.001 4.121 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)CC[C@@H]21 ZINC001164840603 720519969 /nfs/dbraw/zinc/51/99/69/720519969.db2.gz WWHPQRQVNKVUCJ-SGNDLWITSA-N 1 1 493.055 4.239 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1Cl ZINC001164841317 720521757 /nfs/dbraw/zinc/52/17/57/720521757.db2.gz YHHRERDSIAWJJX-LZLYRXPVSA-N 1 1 466.413 4.139 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nc(Cc4ccccc4)n3)CC[C@@H]21 ZINC001164842031 720532141 /nfs/dbraw/zinc/53/21/41/720532141.db2.gz WEHZURIXKKLNAS-FSSWDIPSSA-N 1 1 451.018 4.295 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3ccn4Cc3ccc(F)cc3)CC[C@@H]21 ZINC001164835016 720555722 /nfs/dbraw/zinc/55/57/22/720555722.db2.gz GSGWPNUDICWYEK-RSEQLOHWSA-N 1 1 473.600 4.193 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)CC[C@@H]21 ZINC001164840842 720590641 /nfs/dbraw/zinc/59/06/41/720590641.db2.gz QYJTUOCOEQBAKY-SDHOMARFSA-N 1 1 468.605 4.299 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COc1cccc2c1ccnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749065 720919192 /nfs/dbraw/zinc/91/91/92/720919192.db2.gz HOXUTSICRPBQPC-NEKDWFFYSA-N 1 1 458.606 4.394 20 0 JIADMO Fc1ccccc1-c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164752734 720920834 /nfs/dbraw/zinc/92/08/34/720920834.db2.gz OPHRSFBKONWZEC-LXFBAYGMSA-N 1 1 473.596 4.433 20 0 JIADMO COC(=O)c1cccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc21 ZINC001164752316 720925369 /nfs/dbraw/zinc/92/53/69/720925369.db2.gz NVQSWABWSHVTEN-RNWIMVQKSA-N 1 1 486.616 4.172 20 0 JIADMO CC(C)c1c(Cl)ncnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747849 720930258 /nfs/dbraw/zinc/93/02/58/720930258.db2.gz DMXRNRHPUALKKI-SQJMNOBHSA-N 1 1 456.034 4.404 20 0 JIADMO Cc1cc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1C ZINC001164752889 720931623 /nfs/dbraw/zinc/93/16/23/720931623.db2.gz PFRIDRXZUFFYME-YWEHKCAJSA-N 1 1 457.622 4.397 20 0 JIADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cncc(OCC4CCCC4)n2)C3)c1 ZINC001164748457 720934631 /nfs/dbraw/zinc/93/46/31/720934631.db2.gz GEQOWLFOAFUQLA-LEAFIULHSA-N 1 1 477.653 4.196 20 0 JIADMO Clc1nc2c(nc1N1CC[C@]3(C1)C[N@@H+](CC1CC1)C[C@@H]3COCc1cccnc1)CCCC2 ZINC001164751402 720936007 /nfs/dbraw/zinc/93/60/07/720936007.db2.gz MDNBBBLYRIGOHM-QFQXNSOFSA-N 1 1 468.045 4.159 20 0 JIADMO Fc1ccc2c(c1)[nH]c1ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164748039 720939093 /nfs/dbraw/zinc/93/90/93/720939093.db2.gz FGCOTOFFSVFWOK-RBTNQOKQSA-N 1 1 486.595 4.400 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2Cc3cncn3C[C@H](COCC3CC3)C2)n1 ZINC001164755763 720979319 /nfs/dbraw/zinc/97/93/19/720979319.db2.gz BQCDJNIQWSQDKB-HXUWFJFHSA-N 1 1 468.671 4.409 20 0 JIADMO c1ncn2c1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C[C@@H](COCC1CC1)C2 ZINC001164757295 720979928 /nfs/dbraw/zinc/97/99/28/720979928.db2.gz NXNGRZAKAMBMNN-HXUWFJFHSA-N 1 1 492.693 4.425 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](OCc4cccnc4)[C@H]4COC[C@@H]43)c2c1C ZINC001164762674 721008213 /nfs/dbraw/zinc/00/82/13/721008213.db2.gz WFTDKYMKKUDFBT-FKBYEOEOSA-N 1 1 479.650 4.109 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N(C)Cc3ccccn3)C[C@H]3OCC[C@H]32)nc1 ZINC001164759410 721017000 /nfs/dbraw/zinc/01/70/00/721017000.db2.gz MGTNGUAGWQULSW-VNSJUHMKSA-N 1 1 477.653 4.056 20 0 JIADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866103 721063449 /nfs/dbraw/zinc/06/34/49/721063449.db2.gz CTYMLQHEPIJAEX-IRXDYDNUSA-N 1 1 480.346 4.356 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4nc(Cl)c5cc(Cl)ccc5n4)C[C@@H]3C2)cn1 ZINC001164763629 721094238 /nfs/dbraw/zinc/09/42/38/721094238.db2.gz GHNPOFBULHDOPR-GJZGRUSLSA-N 1 1 467.351 4.173 20 0 JIADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164862783 721095765 /nfs/dbraw/zinc/09/57/65/721095765.db2.gz AIIHLUMGMCOPQI-IRXDYDNUSA-N 1 1 480.346 4.356 20 0 JIADMO Cc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864723 721110721 /nfs/dbraw/zinc/11/07/21/721110721.db2.gz GPNBRGAOVLANFL-BJKOFHAPSA-N 1 1 451.574 4.480 20 0 JIADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870264 721135836 /nfs/dbraw/zinc/13/58/36/721135836.db2.gz CDKLKUNOQCUHNJ-UONOGXRCSA-N 1 1 463.743 4.461 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5c(Cl)nc(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164764297 721146135 /nfs/dbraw/zinc/14/61/35/721146135.db2.gz HOUNUMZFRFHMIX-CABCVRRESA-N 1 1 467.351 4.173 20 0 JIADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870325 721151902 /nfs/dbraw/zinc/15/19/02/721151902.db2.gz CODJNOOHJODWSC-LEWJYISDSA-N 1 1 471.939 4.217 20 0 JIADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879123 721164116 /nfs/dbraw/zinc/16/41/16/721164116.db2.gz RVPVMMQIVMNYPR-SFTDATJTSA-N 1 1 471.939 4.217 20 0 JIADMO Clc1ccc(-c2nc3c(c(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)n2)CCC3)s1 ZINC001164880410 721169696 /nfs/dbraw/zinc/16/96/96/721169696.db2.gz WJHLWUJINXJJIS-MSOLQXFVSA-N 1 1 468.026 4.222 20 0 JIADMO Cc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164877571 721177366 /nfs/dbraw/zinc/17/73/66/721177366.db2.gz OQWMZWHQOKJSCG-RPWUZVMVSA-N 1 1 464.013 4.212 20 0 JIADMO Clc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164878633 721184326 /nfs/dbraw/zinc/18/43/26/721184326.db2.gz QTNPKABRCYXMFK-UYAOXDASSA-N 1 1 472.376 4.450 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nnc(-c5ccc(F)c(F)c5)c5ccccc54)C[C@@H]3C2)cn1 ZINC001164774366 721196470 /nfs/dbraw/zinc/19/64/70/721196470.db2.gz YPYSVSUEOXBAJD-UXHICEINSA-N 1 1 460.532 4.267 20 0 JIADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC5CC4(C(=O)N4CCCC4)C5)c32)C1 ZINC001164870771 721237475 /nfs/dbraw/zinc/23/74/75/721237475.db2.gz BOIPHSCJISWJIP-MNDQGUFCSA-N 1 1 465.667 4.003 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CC[C@@H]5O[C@@H](COc6cccnc6)CC[C@@H]54)ccc3C2)cc1 ZINC001164879720 721247007 /nfs/dbraw/zinc/24/70/07/721247007.db2.gz YDNJAJYCQSBQHX-STXQHDJLSA-N 1 1 456.590 4.240 20 0 JIADMO O=C(NC[C@@H]1CCC[C@]2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)O1)c1ccccc1 ZINC001164874282 721257240 /nfs/dbraw/zinc/25/72/40/721257240.db2.gz KCEXTDPAZLEWJB-BKMJKUGQSA-N 1 1 469.029 4.279 20 0 JIADMO Fc1cccnc1O[C@H]1COC2(C1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164776877 721325774 /nfs/dbraw/zinc/32/57/74/721325774.db2.gz FSENWVNKFQIPIO-HSZRJFAPSA-N 1 1 474.580 4.381 20 0 JIADMO Cc1nc(COC[C@H]2Cn3nccc3CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)cs1 ZINC001164876744 721331735 /nfs/dbraw/zinc/33/17/35/721331735.db2.gz PYCIOSUUKYQZOT-GOSISDBHSA-N 1 1 473.046 4.145 20 0 JIADMO COc1ccc2nc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c(C)cc2c1 ZINC001164778426 721331838 /nfs/dbraw/zinc/33/18/38/721331838.db2.gz WGGWMPVBNSGEPW-AREMUKBSSA-N 1 1 450.583 4.276 20 0 JIADMO CSc1nc(Cl)cc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777667 721335805 /nfs/dbraw/zinc/33/58/05/721335805.db2.gz PCBTUCWSLZQZHH-HXUWFJFHSA-N 1 1 488.004 4.121 20 0 JIADMO CSc1nc(Cl)cc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777667 721335811 /nfs/dbraw/zinc/33/58/11/721335811.db2.gz PCBTUCWSLZQZHH-HXUWFJFHSA-N 1 1 488.004 4.121 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)ncc3F)C2)C1 ZINC001164780050 721349786 /nfs/dbraw/zinc/34/97/86/721349786.db2.gz YXOPPTZMANMZTL-FQEVSTJZSA-N 1 1 458.912 4.143 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)ncc3F)C2)C1 ZINC001164780050 721349790 /nfs/dbraw/zinc/34/97/90/721349790.db2.gz YXOPPTZMANMZTL-FQEVSTJZSA-N 1 1 458.912 4.143 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164779743 721353287 /nfs/dbraw/zinc/35/32/87/721353287.db2.gz VJCNCCJKHGNVDZ-MUUNZHRXSA-N 1 1 486.620 4.203 20 0 JIADMO COc1cccc2nc(Cl)nc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c21 ZINC001164777788 721353506 /nfs/dbraw/zinc/35/35/06/721353506.db2.gz HWILUQFNTOFJHJ-XMMPIXPASA-N 1 1 471.989 4.016 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)nc1 ZINC001164881296 721362174 /nfs/dbraw/zinc/36/21/74/721362174.db2.gz BBAVXXYSQIASJT-VWLOTQADSA-N 1 1 489.668 4.282 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4[nH]c5ccc(Cl)cc5c43)C2)C1 ZINC001164782211 721364470 /nfs/dbraw/zinc/36/44/70/721364470.db2.gz LCGBMUZJGSFXGE-VWLOTQADSA-N 1 1 481.000 4.488 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc4nc(Cl)cnc4cc3F)C2)C1 ZINC001164783024 721369132 /nfs/dbraw/zinc/36/91/32/721369132.db2.gz OWSWFJDSRXTFIO-HSZRJFAPSA-N 1 1 459.953 4.146 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc4nc(Cl)cnc4cc3F)C2)C1 ZINC001164783024 721369137 /nfs/dbraw/zinc/36/91/37/721369137.db2.gz OWSWFJDSRXTFIO-HSZRJFAPSA-N 1 1 459.953 4.146 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)C1 ZINC001164787143 721369162 /nfs/dbraw/zinc/36/91/62/721369162.db2.gz ZIBJMCPQSGRGRW-VWLOTQADSA-N 1 1 451.546 4.007 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)C1 ZINC001164787143 721369166 /nfs/dbraw/zinc/36/91/66/721369166.db2.gz ZIBJMCPQSGRGRW-VWLOTQADSA-N 1 1 451.546 4.007 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)cc(OCc4ccccc4)n3)C2)C1 ZINC001164787047 721372232 /nfs/dbraw/zinc/37/22/32/721372232.db2.gz XTTDFIYAYNSXCU-HHHXNRCGSA-N 1 1 477.609 4.088 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)cc(OCc4ccccc4)n3)C2)C1 ZINC001164787047 721372234 /nfs/dbraw/zinc/37/22/34/721372234.db2.gz XTTDFIYAYNSXCU-HHHXNRCGSA-N 1 1 477.609 4.088 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(CC(C)C)nc(Cl)c3C)C2)C1 ZINC001164779266 721373064 /nfs/dbraw/zinc/37/30/64/721373064.db2.gz AELFXCXZZNJFQO-XMMPIXPASA-N 1 1 462.038 4.361 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(CC(C)C)nc(Cl)c3C)C2)C1 ZINC001164779266 721373066 /nfs/dbraw/zinc/37/30/66/721373066.db2.gz AELFXCXZZNJFQO-XMMPIXPASA-N 1 1 462.038 4.361 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(F)c(-c4ccsc4)n3)C2)C1 ZINC001164784567 721374496 /nfs/dbraw/zinc/37/44/96/721374496.db2.gz QFJCIILGSBOOMQ-HSZRJFAPSA-N 1 1 457.575 4.068 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc(F)c(-c4ccsc4)n3)C2)C1 ZINC001164784567 721374499 /nfs/dbraw/zinc/37/44/99/721374499.db2.gz QFJCIILGSBOOMQ-HSZRJFAPSA-N 1 1 457.575 4.068 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(F)c(-c4ccsc4)n3)C2)C1 ZINC001164784568 721375241 /nfs/dbraw/zinc/37/52/41/721375241.db2.gz QFJCIILGSBOOMQ-QHCPKHFHSA-N 1 1 457.575 4.068 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(F)c(-c4ccsc4)n3)C2)C1 ZINC001164784568 721375248 /nfs/dbraw/zinc/37/52/48/721375248.db2.gz QFJCIILGSBOOMQ-QHCPKHFHSA-N 1 1 457.575 4.068 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C3)O2)CC1 ZINC001164889421 721404626 /nfs/dbraw/zinc/40/46/26/721404626.db2.gz QGRPFOQZHYPNNZ-NZQKXSOJSA-N 1 1 464.988 4.199 20 0 JIADMO c1csc(C[N@@H+]2C[C@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]3C2)n1 ZINC001164781322 721426387 /nfs/dbraw/zinc/42/63/87/721426387.db2.gz DERNTMJLQSLSPC-HDICACEKSA-N 1 1 480.707 4.191 20 0 JIADMO c1csc(C[N@H+]2C[C@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]3C2)n1 ZINC001164781322 721426389 /nfs/dbraw/zinc/42/63/89/721426389.db2.gz DERNTMJLQSLSPC-HDICACEKSA-N 1 1 480.707 4.191 20 0 JIADMO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@@H]5C[N@@H+](Cc6nccs6)C[C@@H]5C4)c23)C1 ZINC001164782737 721427327 /nfs/dbraw/zinc/42/73/27/721427327.db2.gz HRCJPXJKLFXEFU-GBESFXJTSA-N 1 1 494.734 4.437 20 0 JIADMO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@@H]5C[N@H+](Cc6nccs6)C[C@@H]5C4)c23)C1 ZINC001164782737 721427329 /nfs/dbraw/zinc/42/73/29/721427329.db2.gz HRCJPXJKLFXEFU-GBESFXJTSA-N 1 1 494.734 4.437 20 0 JIADMO Cc1ccc(-c2nnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c3ccccc32)cc1 ZINC001164894268 721432427 /nfs/dbraw/zinc/43/24/27/721432427.db2.gz LHBKLHHQSSBNGE-PWUYWRBVSA-N 1 1 471.649 4.371 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5scc(-c6ccc(F)cc6)c54)C3)O2)CC1 ZINC001164890283 721432836 /nfs/dbraw/zinc/43/28/36/721432836.db2.gz CYXNHSOSTLZKHC-RLWLMLJZSA-N 1 1 481.641 4.263 20 0 JIADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164899951 721434545 /nfs/dbraw/zinc/43/45/45/721434545.db2.gz ZPHPHCVNGMDOCB-DFBJGRDBSA-N 1 1 483.707 4.494 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(-c5cccc(Cl)c5)nc5c4CCCC5)C3)O2)CC1 ZINC001164893798 721442934 /nfs/dbraw/zinc/44/29/34/721442934.db2.gz KMESDQMRYXDBMX-NEKDWFFYSA-N 1 1 496.099 4.441 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(C)nc(Cl)c1)CC2 ZINC001164786723 721450823 /nfs/dbraw/zinc/45/08/23/721450823.db2.gz NJQMNHWWVJUKNF-HXUWFJFHSA-N 1 1 457.993 4.322 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001164790030 721458409 /nfs/dbraw/zinc/45/84/09/721458409.db2.gz ZBNOTTPSMLWETR-GOSISDBHSA-N 1 1 461.956 4.153 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)c3ccc(OC)cc3n1)CC2 ZINC001164784821 721462633 /nfs/dbraw/zinc/46/26/33/721462633.db2.gz KKXCEEWNJKQXCF-QFIPXVFZSA-N 1 1 453.627 4.286 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164788622 721463963 /nfs/dbraw/zinc/46/39/63/721463963.db2.gz UVBHCUGWJZTXIV-XMMPIXPASA-N 1 1 485.072 4.455 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(F)cc3ncnc(Cl)c31)CC2 ZINC001164787776 721464497 /nfs/dbraw/zinc/46/44/97/721464497.db2.gz SFQMJQDBOZRICD-IBGZPJMESA-N 1 1 462.997 4.156 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(C)(C)C)nc(Cl)c1C)CC2 ZINC001164788719 721466972 /nfs/dbraw/zinc/46/69/72/721466972.db2.gz JENKENJBTISGSK-HXUWFJFHSA-N 1 1 465.082 4.470 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3c(F)cccc3F)nn1)CC2 ZINC001164786746 721469121 /nfs/dbraw/zinc/46/91/21/721469121.db2.gz CBNYFXGETDMIRB-HXUWFJFHSA-N 1 1 472.580 4.156 20 0 JIADMO O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164896650 721475017 /nfs/dbraw/zinc/47/50/17/721475017.db2.gz XEXAXTKVCIOYQT-LJAQVGFWSA-N 1 1 467.617 4.197 20 0 JIADMO CCOC[C@@H]1CN(c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)Cc2cnn(C)c21 ZINC001164792807 721477643 /nfs/dbraw/zinc/47/76/43/721477643.db2.gz PTAUCDVBDLWQJS-IBGZPJMESA-N 1 1 480.682 4.286 20 0 JIADMO CCOC[C@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)Cc2cnn(C)c21 ZINC001164793731 721477756 /nfs/dbraw/zinc/47/77/56/721477756.db2.gz YHNHMBRHBRSRAM-GOSISDBHSA-N 1 1 466.655 4.040 20 0 JIADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164793028 721495981 /nfs/dbraw/zinc/49/59/81/721495981.db2.gz ZVZQUNLSCOJPRB-UHFFFAOYSA-N 1 1 465.985 4.346 20 0 JIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4nc5ccsc5c(Cl)n4)CC[N@H+]3C2)c1 ZINC001164900690 721521448 /nfs/dbraw/zinc/52/14/48/721521448.db2.gz TXKYCZCUTOTJNT-HIFRSBDPSA-N 1 1 454.905 4.371 20 0 JIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)CC[N@H+]3C2)c1 ZINC001164904308 721551406 /nfs/dbraw/zinc/55/14/06/721551406.db2.gz DVLRZCQKJAGLFX-PKOBYXMFSA-N 1 1 475.902 4.218 20 0 JIADMO CN(Cc1cccnc1)[C@@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164804653 721561953 /nfs/dbraw/zinc/56/19/53/721561953.db2.gz LENCKRHPJIFHHB-PFBJBMPXSA-N 1 1 453.590 4.348 20 0 JIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)CCN3C2)c1 ZINC001164907219 721567791 /nfs/dbraw/zinc/56/77/91/721567791.db2.gz MTYGRCCPVGTKPT-PZJWPPBQSA-N 1 1 478.946 4.138 20 0 JIADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(C[C@H]5C(=O)N(C)C)CC4)c32)C1 ZINC001164901562 721570739 /nfs/dbraw/zinc/57/07/39/721570739.db2.gz GCSLZQKCLZCEEZ-HKUYNNGSSA-N 1 1 467.683 4.107 20 0 JIADMO CSc1ccc(Oc2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)ncn2)cc1 ZINC001164799644 721571652 /nfs/dbraw/zinc/57/16/52/721571652.db2.gz DACXLZXXYASIBQ-HWBMXIPRSA-N 1 1 463.607 4.254 20 0 JIADMO CSc1ccc(Oc2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)ncn2)cc1 ZINC001164799644 721571654 /nfs/dbraw/zinc/57/16/54/721571654.db2.gz DACXLZXXYASIBQ-HWBMXIPRSA-N 1 1 463.607 4.254 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164802229 721575458 /nfs/dbraw/zinc/57/54/58/721575458.db2.gz HSLIUPVWYVNVTQ-KNKQGSTJSA-N 1 1 486.954 4.000 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164802229 721575463 /nfs/dbraw/zinc/57/54/63/721575463.db2.gz HSLIUPVWYVNVTQ-KNKQGSTJSA-N 1 1 486.954 4.000 20 0 JIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164805443 721576083 /nfs/dbraw/zinc/57/60/83/721576083.db2.gz OAAKJVWWCDZZNK-HFMPRLQTSA-N 1 1 480.996 4.328 20 0 JIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164805443 721576085 /nfs/dbraw/zinc/57/60/85/721576085.db2.gz OAAKJVWWCDZZNK-HFMPRLQTSA-N 1 1 480.996 4.328 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)ccc2Oc2ccc(Cl)nn2)[C@@H]2CCCO[C@H]12 ZINC001164805418 721576745 /nfs/dbraw/zinc/57/67/45/721576745.db2.gz NTGOIHNLBRYSSY-FPGHNAPASA-N 1 1 469.948 4.325 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)ccc2Oc2ccc(Cl)nn2)[C@H]2CCCO[C@@H]12 ZINC001164805419 721577172 /nfs/dbraw/zinc/57/71/72/721577172.db2.gz NTGOIHNLBRYSSY-MFSJNOQSSA-N 1 1 469.948 4.325 20 0 JIADMO CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164905126 721578038 /nfs/dbraw/zinc/57/80/38/721578038.db2.gz SKTDWLMOBNDLNH-JOCHJYFZSA-N 1 1 474.049 4.094 20 0 JIADMO COc1ccc2nc(C(F)(F)N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc(Cl)c2c1 ZINC001164802616 721581569 /nfs/dbraw/zinc/58/15/69/721581569.db2.gz HEPGXIRTOOKSFM-ACRUOGEOSA-N 1 1 489.954 4.100 20 0 JIADMO COc1ccc2nc(C(F)(F)N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc(Cl)c2c1 ZINC001164802616 721581573 /nfs/dbraw/zinc/58/15/73/721581573.db2.gz HEPGXIRTOOKSFM-ACRUOGEOSA-N 1 1 489.954 4.100 20 0 JIADMO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc1 ZINC001164811529 721589410 /nfs/dbraw/zinc/58/94/10/721589410.db2.gz YDYWQPNRTORLJQ-ACIOBRDBSA-N 1 1 465.985 4.494 20 0 JIADMO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc1 ZINC001164811529 721589412 /nfs/dbraw/zinc/58/94/12/721589412.db2.gz YDYWQPNRTORLJQ-ACIOBRDBSA-N 1 1 465.985 4.494 20 0 JIADMO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164805209 721589622 /nfs/dbraw/zinc/58/96/22/721589622.db2.gz KYMZUQXKRPMFOD-ACIOBRDBSA-N 1 1 465.985 4.494 20 0 JIADMO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164805209 721589623 /nfs/dbraw/zinc/58/96/23/721589623.db2.gz KYMZUQXKRPMFOD-ACIOBRDBSA-N 1 1 465.985 4.494 20 0 JIADMO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164802601 721589768 /nfs/dbraw/zinc/58/97/68/721589768.db2.gz GZTNTFRPSJDQAJ-UNWVZKJWSA-N 1 1 465.985 4.494 20 0 JIADMO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164802601 721589769 /nfs/dbraw/zinc/58/97/69/721589769.db2.gz GZTNTFRPSJDQAJ-UNWVZKJWSA-N 1 1 465.985 4.494 20 0 JIADMO COc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc1 ZINC001164805196 721590484 /nfs/dbraw/zinc/59/04/84/721590484.db2.gz KXEYDSOZGDBTFX-PMVMPFDFSA-N 1 1 481.984 4.194 20 0 JIADMO COc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc1 ZINC001164805196 721590486 /nfs/dbraw/zinc/59/04/86/721590486.db2.gz KXEYDSOZGDBTFX-PMVMPFDFSA-N 1 1 481.984 4.194 20 0 JIADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906866 721705298 /nfs/dbraw/zinc/70/52/98/721705298.db2.gz OUEKESGPDSCMNK-QHCPKHFHSA-N 1 1 487.938 4.203 20 0 JIADMO COc1cccc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c21 ZINC001164906005 721709329 /nfs/dbraw/zinc/70/93/29/721709329.db2.gz JFOXIMDHSMUCBD-QFIPXVFZSA-N 1 1 459.928 4.425 20 0 JIADMO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905511 721718311 /nfs/dbraw/zinc/71/83/11/721718311.db2.gz HANSSWZTPUCHHX-FQEVSTJZSA-N 1 1 480.897 4.356 20 0 JIADMO CC1CCN(C(=O)c2cccnc2N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CC1 ZINC001164907055 721724420 /nfs/dbraw/zinc/72/44/20/721724420.db2.gz PXZXEIVUNYGRJK-RUZDIDTESA-N 1 1 469.580 4.086 20 0 JIADMO O=C(c1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)c1)N1CCCCC1 ZINC001164909718 721725839 /nfs/dbraw/zinc/72/58/39/721725839.db2.gz DEPSUSSKHYMDTJ-DEOSSOPVSA-N 1 1 489.998 4.494 20 0 JIADMO CC(C)C(=O)N1CCC[C@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001165007690 721726340 /nfs/dbraw/zinc/72/63/40/721726340.db2.gz GKXGDOAWXIUNCH-AREMUKBSSA-N 1 1 467.683 4.393 20 0 JIADMO COc1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)c(OC)c1 ZINC001164913071 721730019 /nfs/dbraw/zinc/73/00/19/721730019.db2.gz RYXMBKPMSHWPPH-VWLOTQADSA-N 1 1 481.547 4.294 20 0 JIADMO COC(=O)c1ccc2nc(Cl)c(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc2c1 ZINC001164910055 721746261 /nfs/dbraw/zinc/74/62/61/721746261.db2.gz ZTHDGTWQYLNXTG-UHFFFAOYSA-N 1 1 477.952 4.253 20 0 JIADMO COC(=O)c1ccc2nc(Cl)c(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc2c1 ZINC001164910055 721746263 /nfs/dbraw/zinc/74/62/63/721746263.db2.gz ZTHDGTWQYLNXTG-UHFFFAOYSA-N 1 1 477.952 4.253 20 0 JIADMO Cc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164911160 721764029 /nfs/dbraw/zinc/76/40/29/721764029.db2.gz NKUCZHNLACCKFR-UHFFFAOYSA-N 1 1 468.561 4.220 20 0 JIADMO Cc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164911160 721764034 /nfs/dbraw/zinc/76/40/34/721764034.db2.gz NKUCZHNLACCKFR-UHFFFAOYSA-N 1 1 468.561 4.220 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@H]3CN(C(=O)c4ccco4)C[C@H]32)n1 ZINC001165014146 721772004 /nfs/dbraw/zinc/77/20/04/721772004.db2.gz AMZDRGIXPNWHSW-RBUKOAKNSA-N 1 1 467.639 4.484 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@H]43)c2c1C ZINC001165020513 721772144 /nfs/dbraw/zinc/77/21/44/721772144.db2.gz YERMKYRSIGILMV-RTBURBONSA-N 1 1 465.623 4.238 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)n1 ZINC001165015918 721781643 /nfs/dbraw/zinc/78/16/43/721781643.db2.gz BRIKZOQJKXRNEQ-IMSXRSKXSA-N 1 1 498.697 4.190 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3CN(Cc3ccccc3)CC4)C[C@@H]21 ZINC001165022163 721803823 /nfs/dbraw/zinc/80/38/23/721803823.db2.gz IAZINRDLQCRNRL-YRLRHBCXSA-N 1 1 468.649 4.167 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1Cl ZINC001165020386 721806276 /nfs/dbraw/zinc/80/62/76/721806276.db2.gz FLYAWYHCFGIKGT-SNRMKQJTSA-N 1 1 464.944 4.198 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)n1 ZINC001165027208 721810701 /nfs/dbraw/zinc/81/07/01/721810701.db2.gz TVLIGVAZRVTIDP-RIFZZMRRSA-N 1 1 464.944 4.198 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(C(=O)N4CCCCC4)cc3Cl)C[C@@H]21 ZINC001165030152 721825237 /nfs/dbraw/zinc/82/52/37/721825237.db2.gz YBLZAVSDRYUXNZ-NGYIFUPDSA-N 1 1 468.045 4.493 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2ncc(F)cn2)C3)nc1 ZINC001164922819 721846479 /nfs/dbraw/zinc/84/64/79/721846479.db2.gz RJWRMJROHYJGOE-OZXSUGGESA-N 1 1 468.621 4.071 20 0 JIADMO CCOC(=O)c1cnc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc1Cl ZINC001164937622 721921114 /nfs/dbraw/zinc/92/11/14/721921114.db2.gz FJRNKRCQIGJMKU-UHFFFAOYSA-N 1 1 494.970 4.031 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5c4ncn5Cc4ccccc4F)CC3)C2)cc1 ZINC001164939681 721927900 /nfs/dbraw/zinc/92/79/00/721927900.db2.gz OFMSIBDOUNTAIN-UHFFFAOYSA-N 1 1 486.595 4.194 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5cc(C(=O)NCC(C)C)ccc54)CC3)C2)cc1 ZINC001164940722 721929076 /nfs/dbraw/zinc/92/90/76/721929076.db2.gz YSRUDQLCOATRBD-UHFFFAOYSA-N 1 1 487.648 4.195 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncccc4C(=O)N4CCc5ccccc54)CC3)C2)cc1 ZINC001164940739 721930504 /nfs/dbraw/zinc/93/05/04/721930504.db2.gz ZOCLAHCMHHEEIQ-UHFFFAOYSA-N 1 1 482.628 4.464 20 0 JIADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952036 722016369 /nfs/dbraw/zinc/01/63/69/722016369.db2.gz GLFKJVBVKHCVBV-UHFFFAOYSA-N 1 1 463.607 4.269 20 0 JIADMO Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2ncnc4c2CC[N@H+](Cc2ccccc2)C4)C3)n1 ZINC001164959747 722026588 /nfs/dbraw/zinc/02/65/88/722026588.db2.gz IIESELOQKRFRDD-JDXGNMNLSA-N 1 1 499.659 4.331 20 0 JIADMO Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2ncnc4c2CC[N@@H+](Cc2ccccc2)C4)C3)n1 ZINC001164959747 722026590 /nfs/dbraw/zinc/02/65/90/722026590.db2.gz IIESELOQKRFRDD-JDXGNMNLSA-N 1 1 499.659 4.331 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3CCN(C(=O)c4ccco4)[C@H]3C2)n1 ZINC001164958604 722048703 /nfs/dbraw/zinc/04/87/03/722048703.db2.gz OQGRXXQXBVCXHT-QUCCMNQESA-N 1 1 473.602 4.364 20 0 JIADMO Clc1ccc2[nH]c3ncnc(N4CCC5(CC4)COCC[N@@H+](Cc4ccncc4)C5)c3c2c1 ZINC001164963386 722058697 /nfs/dbraw/zinc/05/86/97/722058697.db2.gz YDIVDMQRPYBSKD-UHFFFAOYSA-N 1 1 462.985 4.279 20 0 JIADMO CC(C)n1ccc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962189 722059008 /nfs/dbraw/zinc/05/90/08/722059008.db2.gz PLZYCHQUZLEZMZ-UHFFFAOYSA-N 1 1 455.006 4.180 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC3)Cc3ccccc3CNC4=O)c2c1C ZINC001164967954 722078416 /nfs/dbraw/zinc/07/84/16/722078416.db2.gz NIAXNJSEAOWYFJ-UHFFFAOYSA-N 1 1 475.662 4.363 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@H]3C2)nc1 ZINC001164970091 722082415 /nfs/dbraw/zinc/08/24/15/722082415.db2.gz UPOMDAOJAVAJIZ-NXCFDTQHSA-N 1 1 480.628 4.412 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CC(C(=O)NC4CCC4)C[C@@H]3C2)n1 ZINC001164978483 722085610 /nfs/dbraw/zinc/08/56/10/722085610.db2.gz ZBZOVRRIFWGIIR-RTBURBONSA-N 1 1 455.672 4.281 20 0 JIADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164981614 722107186 /nfs/dbraw/zinc/10/71/86/722107186.db2.gz LUAUQSKNXKRVJG-APWZRJJASA-N 1 1 477.918 4.090 20 0 JIADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981023 722108461 /nfs/dbraw/zinc/10/84/61/722108461.db2.gz SBUHTLXPNBMKPC-NZQKXSOJSA-N 1 1 485.966 4.464 20 0 JIADMO c1ccc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164975118 722111308 /nfs/dbraw/zinc/11/13/08/722111308.db2.gz JSMQHQUQMONWQW-ZEQKJWHPSA-N 1 1 451.574 4.419 20 0 JIADMO Clc1cc(OCc2ccccc2)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972590 722135465 /nfs/dbraw/zinc/13/54/65/722135465.db2.gz AEJGGBNAVCAPBQ-WIOPSUGQSA-N 1 1 464.997 4.436 20 0 JIADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985100 722140252 /nfs/dbraw/zinc/14/02/52/722140252.db2.gz ZHXKVNRWANMYLH-VIICAESSSA-N 1 1 472.637 4.131 20 0 JIADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164974296 722141494 /nfs/dbraw/zinc/14/14/94/722141494.db2.gz DGJZSOHSWUAQGX-DHIUTWEWSA-N 1 1 492.693 4.026 20 0 JIADMO c1cc(-c2nc3ccccc3c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cs1 ZINC001164975080 722143353 /nfs/dbraw/zinc/14/33/53/722143353.db2.gz DUJKHPQLFLEAJV-HYBUGGRVSA-N 1 1 457.603 4.481 20 0 JIADMO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164984240 722147532 /nfs/dbraw/zinc/14/75/32/722147532.db2.gz WTJRFAISVZOHJC-JPYJTQIMSA-N 1 1 453.949 4.058 20 0 JIADMO COc1cccc(-c2nc3ccccc3c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164982549 722147799 /nfs/dbraw/zinc/14/77/99/722147799.db2.gz RPJGWGJUBQLFKI-WNCULLNHSA-N 1 1 481.600 4.428 20 0 JIADMO 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CS[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316384135 1066153396 /nfs/dbraw/zinc/15/33/96/1066153396.db2.gz VUGWWGYNHUOWPJ-OTWHNJEPSA-N 1 1 493.668 4.224 20 0 JIADMO CS[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001316393337 1066168753 /nfs/dbraw/zinc/16/87/53/1066168753.db2.gz IESMDKJKFGPHPJ-FDFHNCONSA-N 1 1 457.688 4.270 20 0 JIADMO CS[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)C(C)(C)C ZINC001316396166 1066172884 /nfs/dbraw/zinc/17/28/84/1066172884.db2.gz BHCVDIFLEUDOLA-PZJWPPBQSA-N 1 1 475.728 4.177 20 0 JIADMO CS[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)C(C)(C)C ZINC001316396166 1066172888 /nfs/dbraw/zinc/17/28/88/1066172888.db2.gz BHCVDIFLEUDOLA-PZJWPPBQSA-N 1 1 475.728 4.177 20 0 JIADMO CS[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)(C)C ZINC001316399712 1066177404 /nfs/dbraw/zinc/17/74/04/1066177404.db2.gz SHJHMSWMJIVMBU-MZKRTTBSSA-N 1 1 488.746 4.387 20 0 JIADMO CS[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)C(C)(C)C ZINC001316399977 1066177411 /nfs/dbraw/zinc/17/74/11/1066177411.db2.gz MRIOSTXBACQGLK-NHCUHLMSSA-N 1 1 461.651 4.369 20 0 JIADMO CS[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC001316401183 1066178982 /nfs/dbraw/zinc/17/89/82/1066178982.db2.gz ZAVQJNGTYCNBLR-FQEVSTJZSA-N 1 1 463.667 4.409 20 0 JIADMO CS[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC001316401183 1066178985 /nfs/dbraw/zinc/17/89/85/1066178985.db2.gz ZAVQJNGTYCNBLR-FQEVSTJZSA-N 1 1 463.667 4.409 20 0 JIADMO CSc1ccc(F)cc1Cn1c(-c2cccc(C)n2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316420090 1066223788 /nfs/dbraw/zinc/22/37/88/1066223788.db2.gz BWHFFLMAZHRGTH-KDURUIRLSA-N 1 1 484.645 4.103 20 0 JIADMO CSc1ccc(F)cc1Cn1c(-c2cccc(C)n2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316420090 1066223799 /nfs/dbraw/zinc/22/37/99/1066223799.db2.gz BWHFFLMAZHRGTH-KDURUIRLSA-N 1 1 484.645 4.103 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001316424125 1066239020 /nfs/dbraw/zinc/23/90/20/1066239020.db2.gz SAIUTGVRJAGJQP-HXUWFJFHSA-N 1 1 464.079 4.431 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001316426408 1066245792 /nfs/dbraw/zinc/24/57/92/1066245792.db2.gz BMPMKIKWYVPFGN-HSZRJFAPSA-N 1 1 468.646 4.257 20 0 JIADMO Cc1ccc([C@H](CNC(=O)c2nn(-c3ccccc3F)cc2Br)[NH+]2CCCC2)o1 ZINC001325454038 1066251195 /nfs/dbraw/zinc/25/11/95/1066251195.db2.gz UBGIPPHYLGIKSU-SFHVURJKSA-N 1 1 461.335 4.242 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)CSc2nnc(COc3ccccc3C)n2-c2ccccc2)C1 ZINC001325466893 1066251475 /nfs/dbraw/zinc/25/14/75/1066251475.db2.gz AYUACPWQFJKXCV-NRFANRHFSA-N 1 1 479.650 4.095 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc(Cc3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001316428134 1066254549 /nfs/dbraw/zinc/25/45/49/1066254549.db2.gz NCJDESSBXLJFPS-DNQXCXABSA-N 1 1 471.715 4.256 20 0 JIADMO O=C1Nc2ccccc2[C@@H]1C1CC[NH+](Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC001325702097 1066264031 /nfs/dbraw/zinc/26/40/31/1066264031.db2.gz CIBOHMBWBDAUBP-FQEVSTJZSA-N 1 1 453.340 4.447 20 0 JIADMO CSC[C@H]1CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001316436580 1066289096 /nfs/dbraw/zinc/28/90/96/1066289096.db2.gz MLTGMHBZYKDQCB-HXUWFJFHSA-N 1 1 457.047 4.457 20 0 JIADMO COc1ccc(C(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccc(OC)cc2)cc1 ZINC001326732788 1066303619 /nfs/dbraw/zinc/30/36/19/1066303619.db2.gz YUMPMYZCXKLQPL-TXTKFYIRSA-N 1 1 467.610 4.076 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(C(C)(C)C)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001316444058 1066310983 /nfs/dbraw/zinc/31/09/83/1066310983.db2.gz VWVBAMQVCXZVKA-UGKGYDQZSA-N 1 1 459.704 4.158 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc32)n1CC[N@@H+]1CCOCC1(C)C ZINC001316444855 1066313511 /nfs/dbraw/zinc/31/35/11/1066313511.db2.gz MYYNPUSDEKMBDY-FQEVSTJZSA-N 1 1 482.698 4.490 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc32)n1CC[N@H+]1CCOCC1(C)C ZINC001316444855 1066313530 /nfs/dbraw/zinc/31/35/30/1066313530.db2.gz MYYNPUSDEKMBDY-FQEVSTJZSA-N 1 1 482.698 4.490 20 0 JIADMO CSCC[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001316446958 1066319723 /nfs/dbraw/zinc/31/97/23/1066319723.db2.gz MQVZSHWKJNYHAN-JPYJTQIMSA-N 1 1 496.146 4.384 20 0 JIADMO Cc1cccc(-c2nnc(N(CCO)CCc3ccccc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492505073 1066322881 /nfs/dbraw/zinc/32/28/81/1066322881.db2.gz RGKALXFRGCENRJ-ZRZAMGCNSA-N 1 1 490.696 4.446 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cnc4c(c3)c(C3CC3)nn4-c3ccccc3)C2)ccn1 ZINC001329441328 1066339264 /nfs/dbraw/zinc/33/92/64/1066339264.db2.gz HSADBVDRUFVMET-VWLOTQADSA-N 1 1 496.615 4.438 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2ccc(C[S@](C)=O)cc2)n1 ZINC001492512028 1066349466 /nfs/dbraw/zinc/34/94/66/1066349466.db2.gz SZALYDVXKSXUKH-DHUJRADRSA-N 1 1 494.709 4.132 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cccc(F)c3Br)C2)ccn1 ZINC001331003125 1066354357 /nfs/dbraw/zinc/35/43/57/1066354357.db2.gz PFSKFJZSAYFWJV-KRWDZBQOSA-N 1 1 450.352 4.117 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(S(=O)(=O)c3sc4cccc(F)c4c3C)C2)ccn1 ZINC001331003773 1066355654 /nfs/dbraw/zinc/35/56/54/1066355654.db2.gz UHKWZNCRGJHHRK-SFHVURJKSA-N 1 1 463.600 4.038 20 0 JIADMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001492514583 1066356824 /nfs/dbraw/zinc/35/68/24/1066356824.db2.gz PEPBTGZKURNGJF-LJQANCHMSA-N 1 1 477.535 4.182 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492514858 1066357020 /nfs/dbraw/zinc/35/70/20/1066357020.db2.gz VWWGNZBLTSPGFL-UNMCSNQZSA-N 1 1 497.688 4.122 20 0 JIADMO CSCCCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001316466514 1066369177 /nfs/dbraw/zinc/36/91/77/1066369177.db2.gz WDXSDAGASUBGGM-UHFFFAOYSA-N 1 1 468.671 4.102 20 0 JIADMO CSCCCN(C)c1nnc(-c2ccccc2Br)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001316467493 1066372124 /nfs/dbraw/zinc/37/21/24/1066372124.db2.gz ATPLQLHLNRCUSW-OAHLLOKOSA-N 1 1 452.466 4.380 20 0 JIADMO Cc1cccc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CCCSCC(C)C)n1 ZINC001492518189 1066375434 /nfs/dbraw/zinc/37/54/34/1066375434.db2.gz WHQBFHHICIOMAC-NRFANRHFSA-N 1 1 472.703 4.117 20 0 JIADMO Cc1cccc(CC2(O)CCN(c3nnc(CC(C)C)n3C[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)c1 ZINC001492524367 1066397772 /nfs/dbraw/zinc/39/77/72/1066397772.db2.gz MGSSFUJDFHYDOK-DEOSSOPVSA-N 1 1 467.702 4.479 20 0 JIADMO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC001316490524 1066425012 /nfs/dbraw/zinc/42/50/12/1066425012.db2.gz YNJAPHGOMYZQOG-DYESRHJHSA-N 1 1 476.522 4.170 20 0 JIADMO O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001336268497 1066434697 /nfs/dbraw/zinc/43/46/97/1066434697.db2.gz AXKRSQJEMCNGFF-OAHLLOKOSA-N 1 1 458.937 4.269 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCCO2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001316495906 1066443031 /nfs/dbraw/zinc/44/30/31/1066443031.db2.gz GWBIZLGEDAHQSY-FYYLOGMGSA-N 1 1 498.672 4.097 20 0 JIADMO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)C[C@H](C)C1(F)F ZINC001316502517 1066465084 /nfs/dbraw/zinc/46/50/84/1066465084.db2.gz KTJUXNHXWFHWLF-HDICACEKSA-N 1 1 465.976 4.500 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2CCc2nc(C(C)(C)C)cs2)C[C@H](C)O1 ZINC001316503112 1066466922 /nfs/dbraw/zinc/46/69/22/1066466922.db2.gz LRIFVXDZWDBERD-HSALFYBXSA-N 1 1 490.718 4.062 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2CCc2nc(C(C)(C)C)cs2)C[C@H](C)O1 ZINC001316503112 1066466939 /nfs/dbraw/zinc/46/69/39/1066466939.db2.gz LRIFVXDZWDBERD-HSALFYBXSA-N 1 1 490.718 4.062 20 0 JIADMO O=C(/C=C/c1cc(Cl)cc(Cl)c1)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001337467864 1066485542 /nfs/dbraw/zinc/48/55/42/1066485542.db2.gz JZEJAAKJMRRCPO-DAFODLJHSA-N 1 1 466.340 4.445 20 0 JIADMO CCS(=O)(=O)Nc1cccc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC001337652745 1066500821 /nfs/dbraw/zinc/50/08/21/1066500821.db2.gz LGNYKIBYCNPJJH-QFIPXVFZSA-N 1 1 469.632 4.039 20 0 JIADMO CCS(=O)(=O)Nc1cccc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC001337652745 1066500837 /nfs/dbraw/zinc/50/08/37/1066500837.db2.gz LGNYKIBYCNPJJH-QFIPXVFZSA-N 1 1 469.632 4.039 20 0 JIADMO FC(F)(F)OCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001316514814 1066508310 /nfs/dbraw/zinc/50/83/10/1066508310.db2.gz FQOPSSNDIOSOAN-UHFFFAOYSA-N 1 1 472.943 4.375 20 0 JIADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)c2)CCO1 ZINC001337796194 1066512336 /nfs/dbraw/zinc/51/23/36/1066512336.db2.gz BDIMXKJPWBNJLC-LVXARBLLSA-N 1 1 473.621 4.029 20 0 JIADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)c2)CCO1 ZINC001337796194 1066512341 /nfs/dbraw/zinc/51/23/41/1066512341.db2.gz BDIMXKJPWBNJLC-LVXARBLLSA-N 1 1 473.621 4.029 20 0 JIADMO Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)ccc2C)c(C)c1 ZINC001338046219 1066527174 /nfs/dbraw/zinc/52/71/74/1066527174.db2.gz JPUVOIASOQFPMD-QFIPXVFZSA-N 1 1 455.624 4.031 20 0 JIADMO Cc1cccc(CN2CCN(c3nnc(CC(C)C)n3C[C@@H](C(C)C)[NH+]3CCCC3)CC2)c1 ZINC001492534650 1066581561 /nfs/dbraw/zinc/58/15/61/1066581561.db2.gz JGQIJTWMTSULJC-VWLOTQADSA-N 1 1 452.691 4.228 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)[C@H](C)c3ccco3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492537466 1066593972 /nfs/dbraw/zinc/59/39/72/1066593972.db2.gz YZWFIPPHCWVQKY-FYYLOGMGSA-N 1 1 467.614 4.313 20 0 JIADMO OC[C@H]1CCC[N@H+]1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001316585908 1066608696 /nfs/dbraw/zinc/60/86/96/1066608696.db2.gz YIPBJYUFMQRKET-SJLPKXTDSA-N 1 1 485.982 4.456 20 0 JIADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001316590250 1066619388 /nfs/dbraw/zinc/61/93/88/1066619388.db2.gz NAXLCIZZFRXPKA-MRXNPFEDSA-N 1 1 483.501 4.104 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001492541883 1066651820 /nfs/dbraw/zinc/65/18/20/1066651820.db2.gz PZUPNZSDHCMZSQ-UHFFFAOYSA-N 1 1 495.590 4.445 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC2(O)CCCC2)c1 ZINC001492543696 1066669054 /nfs/dbraw/zinc/66/90/54/1066669054.db2.gz ULIQSXZUQVFOGC-UHFFFAOYSA-N 1 1 455.647 4.027 20 0 JIADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)C1 ZINC001347076230 1066673466 /nfs/dbraw/zinc/67/34/66/1066673466.db2.gz RJAGFQNSDORLNN-WEWMWRJBSA-N 1 1 464.606 4.067 20 0 JIADMO COc1ccccc1NS(=O)(=O)c1cc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1C ZINC001317871859 1066746155 /nfs/dbraw/zinc/74/61/55/1066746155.db2.gz PSSGHDZXBMXVGK-UHFFFAOYSA-N 1 1 486.638 4.287 20 0 JIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCCNC(=O)c3ccccc3C(F)(F)F)cc2)C1 ZINC001317889502 1066758861 /nfs/dbraw/zinc/75/88/61/1066758861.db2.gz OVXBGABNNVSHLF-KDURUIRLSA-N 1 1 490.570 4.413 20 0 JIADMO COc1ccc(C(NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c2ccc(OC)cc2)cc1 ZINC001317906724 1066777333 /nfs/dbraw/zinc/77/73/33/1066777333.db2.gz FRIRPYCOTKTLSV-UHFFFAOYSA-N 1 1 475.589 4.490 20 0 JIADMO Cc1ccc2[nH]c(C(=O)Nc3ccc(F)c(NC(=O)CC[NH+]4CCOCC4)c3)c(Cl)c2c1 ZINC001317928782 1066791621 /nfs/dbraw/zinc/79/16/21/1066791621.db2.gz PYWDIMSDGSSRCM-UHFFFAOYSA-N 1 1 458.921 4.182 20 0 JIADMO CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)cc2)CC1 ZINC001349091056 1066806495 /nfs/dbraw/zinc/80/64/95/1066806495.db2.gz SLNRHWMEJGCOMO-NRFANRHFSA-N 1 1 450.004 4.002 20 0 JIADMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCC(=O)Nc2ccc(Br)cc2C)c1 ZINC001349127254 1066812055 /nfs/dbraw/zinc/81/20/55/1066812055.db2.gz DHINCJWLKXDQII-OAQYLSRUSA-N 1 1 458.400 4.175 20 0 JIADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCC(=O)Nc2ccc(Br)cc2C)c1 ZINC001349127254 1066812065 /nfs/dbraw/zinc/81/20/65/1066812065.db2.gz DHINCJWLKXDQII-OAQYLSRUSA-N 1 1 458.400 4.175 20 0 JIADMO CC(C)(C)[NH+]1CCN(C(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)CC1 ZINC001317995345 1066839726 /nfs/dbraw/zinc/83/97/26/1066839726.db2.gz JWFMMRIYJGAYLR-UHFFFAOYSA-N 1 1 469.651 4.363 20 0 JIADMO O=C(c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318061975 1066878859 /nfs/dbraw/zinc/87/88/59/1066878859.db2.gz XFYNCNWGMZYISB-KRWDZBQOSA-N 1 1 468.406 4.105 20 0 JIADMO COc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCC(=O)N1c1ccc(C)cc1 ZINC001318061792 1066879004 /nfs/dbraw/zinc/87/90/04/1066879004.db2.gz PFZILHOXNNIEAO-RWCIVJTCSA-N 1 1 461.606 4.185 20 0 JIADMO O=C(CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318074242 1066886058 /nfs/dbraw/zinc/88/60/58/1066886058.db2.gz KPUZHQCDXFOFTI-LJQANCHMSA-N 1 1 469.561 4.001 20 0 JIADMO O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318074700 1066886397 /nfs/dbraw/zinc/88/63/97/1066886397.db2.gz XNFDSRSMQNPATC-OAQYLSRUSA-N 1 1 468.026 4.377 20 0 JIADMO O=C(c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318074643 1066886489 /nfs/dbraw/zinc/88/64/89/1066886489.db2.gz VGNNFRGLTRIKGX-SANMLTNESA-N 1 1 489.641 4.392 20 0 JIADMO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC001350103598 1066918603 /nfs/dbraw/zinc/91/86/03/1066918603.db2.gz ZKPLZQOOMRGOSL-QFIPXVFZSA-N 1 1 457.983 4.407 20 0 JIADMO CCn1nc(C)c(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)c1Cl ZINC001350114741 1066920052 /nfs/dbraw/zinc/92/00/52/1066920052.db2.gz HAKMLWRNZCETBX-UHFFFAOYSA-N 1 1 452.002 4.435 20 0 JIADMO O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC001318143042 1066922788 /nfs/dbraw/zinc/92/27/88/1066922788.db2.gz JRSAJDUAJFGVSV-INIZCTEOSA-N 1 1 454.423 4.373 20 0 JIADMO C[N@H+](CC(=O)Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1)Cc1ccccc1 ZINC001318168435 1066935723 /nfs/dbraw/zinc/93/57/23/1066935723.db2.gz PGTXFQGWGMWARC-UHFFFAOYSA-N 1 1 453.340 4.167 20 0 JIADMO C[N@@H+](CC(=O)Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1)Cc1ccccc1 ZINC001318168435 1066935730 /nfs/dbraw/zinc/93/57/30/1066935730.db2.gz PGTXFQGWGMWARC-UHFFFAOYSA-N 1 1 453.340 4.167 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC001318173829 1066939397 /nfs/dbraw/zinc/93/93/97/1066939397.db2.gz RWZZGPPWYWRXRP-KRWDZBQOSA-N 1 1 477.577 4.481 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc1 ZINC001318195586 1066952082 /nfs/dbraw/zinc/95/20/82/1066952082.db2.gz WUGSVMDNKHHIFL-DEOSSOPVSA-N 1 1 451.611 4.165 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001318209376 1066960185 /nfs/dbraw/zinc/96/01/85/1066960185.db2.gz CIUKJASZKXKTDP-SFHVURJKSA-N 1 1 465.985 4.189 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3cccc(COc4ccc5c(c4)OCO5)c3)c2)CC1 ZINC001318226371 1066971064 /nfs/dbraw/zinc/97/10/64/1066971064.db2.gz NRTYTFIOGHTNJL-UHFFFAOYSA-N 1 1 488.588 4.063 20 0 JIADMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC001350563699 1066971770 /nfs/dbraw/zinc/97/17/70/1066971770.db2.gz GESDIZVSAFNFRK-VQTJNVASSA-N 1 1 451.558 4.238 20 0 JIADMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC001350563699 1066971778 /nfs/dbraw/zinc/97/17/78/1066971778.db2.gz GESDIZVSAFNFRK-VQTJNVASSA-N 1 1 451.558 4.238 20 0 JIADMO O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318229190 1066972246 /nfs/dbraw/zinc/97/22/46/1066972246.db2.gz APEPZYABCCMBNE-UHFFFAOYSA-N 1 1 463.626 4.210 20 0 JIADMO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318229501 1066972574 /nfs/dbraw/zinc/97/25/74/1066972574.db2.gz FNIKASIAWKVCHK-KBMIEXCESA-N 1 1 473.621 4.487 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC001318229216 1066973045 /nfs/dbraw/zinc/97/30/45/1066973045.db2.gz BEBGFMSTKIELPG-HXUWFJFHSA-N 1 1 451.596 4.244 20 0 JIADMO CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318263438 1066990856 /nfs/dbraw/zinc/99/08/56/1066990856.db2.gz UOQOPSBYHNGEIH-OAQYLSRUSA-N 1 1 465.623 4.039 20 0 JIADMO O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318270177 1066994180 /nfs/dbraw/zinc/99/41/80/1066994180.db2.gz JVYZACPFHLFFGN-UHFFFAOYSA-N 1 1 455.562 4.461 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)NCc3ccccc3OCc3ccccc3)c2)CC1 ZINC001318283403 1067001552 /nfs/dbraw/zinc/00/15/52/1067001552.db2.gz MOCCBUOIXKIWAG-UHFFFAOYSA-N 1 1 458.606 4.012 20 0 JIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(Br)ccc2-n2cnnn2)cc1 ZINC001350857779 1067010605 /nfs/dbraw/zinc/01/06/05/1067010605.db2.gz DEMYYQUQZOXVEX-OAHLLOKOSA-N 1 1 455.360 4.052 20 0 JIADMO O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318347594 1067026871 /nfs/dbraw/zinc/02/68/71/1067026871.db2.gz LENMMUYSLXJOSM-HXUWFJFHSA-N 1 1 494.983 4.046 20 0 JIADMO CC1(C)C[N@H+](C2(CNC(=O)NCc3ccc(-n4cnc5ccccc54)nc3)CCCCC2)CCO1 ZINC001318406160 1067039035 /nfs/dbraw/zinc/03/90/35/1067039035.db2.gz LKFBSRWYGKIFJK-UHFFFAOYSA-N 1 1 476.625 4.033 20 0 JIADMO Cc1c(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)nnn1-c1ccc2ncccc2c1 ZINC001318412197 1067039504 /nfs/dbraw/zinc/03/95/04/1067039504.db2.gz ASAYDWNGQOOULE-UHFFFAOYSA-N 1 1 466.549 4.238 20 0 JIADMO COc1ccncc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300692890 1067042691 /nfs/dbraw/zinc/04/26/91/1067042691.db2.gz CGPCQVFYGWZGRG-OYRHEFFESA-N 1 1 492.668 4.240 20 0 JIADMO COc1ccncc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300692890 1067042707 /nfs/dbraw/zinc/04/27/07/1067042707.db2.gz CGPCQVFYGWZGRG-OYRHEFFESA-N 1 1 492.668 4.240 20 0 JIADMO CCC(CC)N1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)CC1=O ZINC001354693798 1067046652 /nfs/dbraw/zinc/04/66/52/1067046652.db2.gz RFTGHXIQAQKFIW-IBGZPJMESA-N 1 1 457.615 4.236 20 0 JIADMO Cc1cc(N2CCC(NC(=O)C3(c4cccc(Br)c4)CCCC3)CC2)nc(C)[nH+]1 ZINC001354700250 1067051316 /nfs/dbraw/zinc/05/13/16/1067051316.db2.gz YITYNXWFPDSTAD-UHFFFAOYSA-N 1 1 457.416 4.453 20 0 JIADMO CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)c2)n1 ZINC001319283289 1067070787 /nfs/dbraw/zinc/07/07/87/1067070787.db2.gz PMJTXAXLDDJWQG-UHFFFAOYSA-N 1 1 453.587 4.169 20 0 JIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)C1 ZINC001319462158 1067073629 /nfs/dbraw/zinc/07/36/29/1067073629.db2.gz ACSSDDSMYFHCIW-LJQANCHMSA-N 1 1 458.562 4.201 20 0 JIADMO COC(=O)c1ccc2c(c1)OCC[N@@H+](Cc1ccc3c(c1)CN(C(=O)OC(C)(C)C)CC3)C2 ZINC001474744253 1067084148 /nfs/dbraw/zinc/08/41/48/1067084148.db2.gz DQAOICOYSCDYIG-UHFFFAOYSA-N 1 1 452.551 4.161 20 0 JIADMO COC(=O)c1ccc2c(c1)OCC[N@H+](Cc1ccc3c(c1)CN(C(=O)OC(C)(C)C)CC3)C2 ZINC001474744253 1067084166 /nfs/dbraw/zinc/08/41/66/1067084166.db2.gz DQAOICOYSCDYIG-UHFFFAOYSA-N 1 1 452.551 4.161 20 0 JIADMO C[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1cc2c(cc1Br)OCCO2 ZINC001354775155 1067091675 /nfs/dbraw/zinc/09/16/75/1067091675.db2.gz ZKBGOEWPFNYGKQ-BLVKFPJESA-N 1 1 453.764 4.354 20 0 JIADMO CCc1noc(COc2ccc(OC(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)cc2)n1 ZINC001354790146 1067099762 /nfs/dbraw/zinc/09/97/62/1067099762.db2.gz DPUNHCBYRDUEFQ-QZTJIDSGSA-N 1 1 451.523 4.039 20 0 JIADMO Cc1cc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)ccc1N1CCN(C)CC1 ZINC001321653862 1067190348 /nfs/dbraw/zinc/19/03/48/1067190348.db2.gz CFIWOJFBLNKBMT-HSZRJFAPSA-N 1 1 455.672 4.403 20 0 JIADMO COc1ccc([C@@H](CNC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)[NH+]2CCCCC2)cc1 ZINC001321654273 1067191058 /nfs/dbraw/zinc/19/10/58/1067191058.db2.gz HDDSODROYNGXEP-AREMUKBSSA-N 1 1 465.642 4.104 20 0 JIADMO O=C(Nc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1)c1ccc(=O)[nH]c1 ZINC001321736134 1067205406 /nfs/dbraw/zinc/20/54/06/1067205406.db2.gz ACJSZBXWKFICFP-UHFFFAOYSA-N 1 1 498.505 4.406 20 0 JIADMO C[N@H+]1CCC[C@H]2CN(C(=S)Nc3c(F)cc(Br)cc3Br)C[C@H]21 ZINC001200802697 1067211021 /nfs/dbraw/zinc/21/10/21/1067211021.db2.gz ZRWXMRBOHZGBMW-TVQRCGJNSA-N 1 1 451.203 4.074 20 0 JIADMO C[N@H+]1CCC[C@@H](CCNC(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200804542 1067217921 /nfs/dbraw/zinc/21/79/21/1067217921.db2.gz RLJCPUBNRQCBEL-JTQLQIEISA-N 1 1 453.219 4.369 20 0 JIADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001351855789 1067225047 /nfs/dbraw/zinc/22/50/47/1067225047.db2.gz XADYYZLYSVYEGN-RCZVLFRGSA-N 1 1 469.651 4.204 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCSC[C@@H]3C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001492549816 1067249983 /nfs/dbraw/zinc/24/99/83/1067249983.db2.gz OSVLGPRZQIDCCI-BDTNDASRSA-N 1 1 457.688 4.475 20 0 JIADMO COc1cc(Br)c(OC)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1 ZINC001322213890 1067262691 /nfs/dbraw/zinc/26/26/91/1067262691.db2.gz QJYPPGSXLXHOGE-UHFFFAOYSA-N 1 1 468.779 4.124 20 0 JIADMO CO[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001300757245 1067286544 /nfs/dbraw/zinc/28/65/44/1067286544.db2.gz FPBKMFCXHFGEEZ-VQTJNVASSA-N 1 1 463.573 4.282 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001300757909 1067289782 /nfs/dbraw/zinc/28/97/82/1067289782.db2.gz OGKLSTKUFWUTJG-SJLPKXTDSA-N 1 1 479.467 4.161 20 0 JIADMO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)c2ccc(F)cc2)c1 ZINC001200821642 1067294816 /nfs/dbraw/zinc/29/48/16/1067294816.db2.gz OSAKEYBJMLEOHC-ZCYQVOJMSA-N 1 1 455.551 4.276 20 0 JIADMO NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NC3CC[NH+](Cc4ccc(Cl)c(Cl)c4)CC3)cc2)C1 ZINC001322599392 1067305204 /nfs/dbraw/zinc/30/52/04/1067305204.db2.gz FANUHXXZAWTVED-LJQANCHMSA-N 1 1 489.447 4.090 20 0 JIADMO Cc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001492579513 1067315402 /nfs/dbraw/zinc/31/54/02/1067315402.db2.gz LNHHSCRSQKKXQE-CTNGQTDRSA-N 1 1 479.591 4.455 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001300771984 1067321000 /nfs/dbraw/zinc/32/10/00/1067321000.db2.gz HEAPHGAGZZPBHH-OAQYLSRUSA-N 1 1 492.462 4.109 20 0 JIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC001354993929 1067324845 /nfs/dbraw/zinc/32/48/45/1067324845.db2.gz SOQOEQMMUVTUSP-FQEVSTJZSA-N 1 1 455.624 4.172 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@H](C)c3cccs3)n2CCC[N@H+]2CCCO[C@H](C)C2)n1 ZINC001492495787 1067327472 /nfs/dbraw/zinc/32/74/72/1067327472.db2.gz FPYMPFLFLHDWEL-WOJBJXKFSA-N 1 1 454.644 4.408 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC[N@@H+]2CC=CCC2)C1 ZINC001300777175 1067331037 /nfs/dbraw/zinc/33/10/37/1067331037.db2.gz XGBGNPHGWPJIIN-JOCHJYFZSA-N 1 1 474.049 4.129 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3c(C)cccc3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001492497811 1067339689 /nfs/dbraw/zinc/33/96/89/1067339689.db2.gz JGWAKCGLDBJIGS-QHCPKHFHSA-N 1 1 489.668 4.461 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2CCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC001300005941 1067354194 /nfs/dbraw/zinc/35/41/94/1067354194.db2.gz IGZOUIUHQXFPCJ-LWEYNCJUSA-N 1 1 459.610 4.411 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3cscn3)n2CC[N@H+]2CCC[C@@H]2C)cc1Br ZINC001300006390 1067354514 /nfs/dbraw/zinc/35/45/14/1067354514.db2.gz OCIDKNMARHWQEN-HNNXBMFYSA-N 1 1 491.459 4.293 20 0 JIADMO CC(=O)Nc1c(C)ccc(NC(=O)N2CC[C@]3(C2)C[N@@H+](Cc2ccccc2)C[C@H](C)O3)c1C ZINC001200009984 1067356168 /nfs/dbraw/zinc/35/61/68/1067356168.db2.gz GYANIJITHXZVDA-AFMDSPMNSA-N 1 1 450.583 4.159 20 0 JIADMO CC(=O)Nc1c(C)ccc(NC(=O)N2CC[C@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)c1C ZINC001200009984 1067356180 /nfs/dbraw/zinc/35/61/80/1067356180.db2.gz GYANIJITHXZVDA-AFMDSPMNSA-N 1 1 450.583 4.159 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001492555318 1067375591 /nfs/dbraw/zinc/37/55/91/1067375591.db2.gz JKHMLDOXKYTUOS-GOTSBHOMSA-N 1 1 462.642 4.271 20 0 JIADMO COc1ccc(-c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CC[N@@H+]2CCOCC2(C)C)c(OC)c1 ZINC001300017104 1067378190 /nfs/dbraw/zinc/37/81/90/1067378190.db2.gz NPSVIWSBFVFGFQ-FQEVSTJZSA-N 1 1 485.673 4.478 20 0 JIADMO COc1ccc(-c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CC[N@H+]2CCOCC2(C)C)c(OC)c1 ZINC001300017104 1067378199 /nfs/dbraw/zinc/37/81/99/1067378199.db2.gz NPSVIWSBFVFGFQ-FQEVSTJZSA-N 1 1 485.673 4.478 20 0 JIADMO COc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300019660 1067382418 /nfs/dbraw/zinc/38/24/18/1067382418.db2.gz UOHPJMRKEBEHCH-JOCHJYFZSA-N 1 1 485.673 4.477 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CC[C@H](CC(C)C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001492581567 1067385592 /nfs/dbraw/zinc/38/55/92/1067385592.db2.gz JWKXPWZFSMSHMY-NOZRDPDXSA-N 1 1 453.675 4.407 20 0 JIADMO C[C@@H](CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br)[N@@H+](C)Cc1ccccc1 ZINC001355310901 1067413695 /nfs/dbraw/zinc/41/36/95/1067413695.db2.gz QSVSNGVGWBEVKB-INIZCTEOSA-N 1 1 459.363 4.414 20 0 JIADMO COc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300034812 1067438932 /nfs/dbraw/zinc/43/89/32/1067438932.db2.gz VFQBXKQSLRWORP-FYYLOGMGSA-N 1 1 455.647 4.183 20 0 JIADMO CCOC(=O)N1[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CC[C@@H]1c1ccc(C)o1 ZINC001355405693 1067451867 /nfs/dbraw/zinc/45/18/67/1067451867.db2.gz PCBUMMIODLPMPP-NHCUHLMSSA-N 1 1 454.502 4.200 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CC[N@@H+](C)C(C)C)cc1Br ZINC001300040097 1067459962 /nfs/dbraw/zinc/45/99/62/1067459962.db2.gz DVFOGNWJTRPGCS-UHFFFAOYSA-N 1 1 494.478 4.045 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)n2C[C@H](C)OC)cc1 ZINC001300040229 1067461134 /nfs/dbraw/zinc/46/11/34/1067461134.db2.gz IVHXJNMUXCRJIS-SFTDATJTSA-N 1 1 455.647 4.470 20 0 JIADMO CNC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)c1 ZINC001355533746 1067501812 /nfs/dbraw/zinc/50/18/12/1067501812.db2.gz FVEIUALBGBXELE-QZTJIDSGSA-N 1 1 454.983 4.010 20 0 JIADMO CC[C@H](NC(=O)[C@H](C)Cc1ccc(Br)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355547828 1067507699 /nfs/dbraw/zinc/50/76/99/1067507699.db2.gz WODJZMWZNVWIRA-YFXJRYMSSA-N 1 1 459.428 4.424 20 0 JIADMO CC[C@H](NC(=O)[C@H](C)Cc1ccc(Br)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355547828 1067507732 /nfs/dbraw/zinc/50/77/32/1067507732.db2.gz WODJZMWZNVWIRA-YFXJRYMSSA-N 1 1 459.428 4.424 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc(OCC(=O)OC(C)(C)C)c1 ZINC001355579324 1067516485 /nfs/dbraw/zinc/51/64/85/1067516485.db2.gz DEZNAQDMQVVELL-FZWXVRBQSA-N 1 1 452.595 4.294 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001300052186 1067520951 /nfs/dbraw/zinc/52/09/51/1067520951.db2.gz WSTCRRRPVFWJSY-FQRUVTKNSA-N 1 1 471.646 4.088 20 0 JIADMO O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001355606338 1067524985 /nfs/dbraw/zinc/52/49/85/1067524985.db2.gz XIZJTSVGYKHJHX-RBUKOAKNSA-N 1 1 454.423 4.419 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300053884 1067528839 /nfs/dbraw/zinc/52/88/39/1067528839.db2.gz LYOPBBUGMHGMLL-FCHUYYIVSA-N 1 1 496.700 4.064 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001492582745 1067530895 /nfs/dbraw/zinc/53/08/95/1067530895.db2.gz RSKPPEWSIYKAMU-HXUWFJFHSA-N 1 1 479.591 4.191 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001492583051 1067538560 /nfs/dbraw/zinc/53/85/60/1067538560.db2.gz BOHCYEBGOSJYKK-UNMCSNQZSA-N 1 1 479.591 4.457 20 0 JIADMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1)c1ccnn1CC(F)F ZINC001355655778 1067542426 /nfs/dbraw/zinc/54/24/26/1067542426.db2.gz GHEQIVVMSUIOJJ-UHFFFAOYSA-N 1 1 459.928 4.376 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@H]3C(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300060702 1067560047 /nfs/dbraw/zinc/56/00/47/1067560047.db2.gz PPJJXXGQRQIHRK-MZKRTTBSSA-N 1 1 471.646 4.086 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccc3ccc(Br)cc3c2)c1 ZINC001355728223 1067566029 /nfs/dbraw/zinc/56/60/29/1067566029.db2.gz IJJCTAVJGNNCDD-OAQYLSRUSA-N 1 1 452.352 4.304 20 0 JIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc3ccc(Br)cc3c2)c1 ZINC001355728223 1067566042 /nfs/dbraw/zinc/56/60/42/1067566042.db2.gz IJJCTAVJGNNCDD-OAQYLSRUSA-N 1 1 452.352 4.304 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492584040 1067568657 /nfs/dbraw/zinc/56/86/57/1067568657.db2.gz CILADAZVXDFDOF-ZEVJAHDQSA-N 1 1 494.728 4.286 20 0 JIADMO COC(=O)c1cc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)ccc1OC ZINC001352607704 1067577823 /nfs/dbraw/zinc/57/78/23/1067577823.db2.gz XRQOOJJDJBFJME-FGZHOGPDSA-N 1 1 464.587 4.075 20 0 JIADMO O=C(Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)c1cnc(C(F)(F)F)nc1 ZINC001355799519 1067582865 /nfs/dbraw/zinc/58/28/65/1067582865.db2.gz IVZOXJNRJGEWNG-UHFFFAOYSA-N 1 1 455.484 4.066 20 0 JIADMO COc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC001300068461 1067586437 /nfs/dbraw/zinc/58/64/37/1067586437.db2.gz NHRLJMGSAJNIAR-SZPZYZBQSA-N 1 1 498.716 4.249 20 0 JIADMO COc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC001300068461 1067586448 /nfs/dbraw/zinc/58/64/48/1067586448.db2.gz NHRLJMGSAJNIAR-SZPZYZBQSA-N 1 1 498.716 4.249 20 0 JIADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC001355819478 1067587005 /nfs/dbraw/zinc/58/70/05/1067587005.db2.gz LAMRZZJDUPRTHB-UHFFFAOYSA-N 1 1 458.440 4.000 20 0 JIADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cc(F)c(Oc4ccccc4)c(F)c3)cc2)CC1 ZINC001355820286 1067587388 /nfs/dbraw/zinc/58/73/88/1067587388.db2.gz SPOMIHIVGQUWHN-UHFFFAOYSA-N 1 1 451.473 4.397 20 0 JIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2nc(Br)ccc2Br)C1 ZINC001355842360 1067590558 /nfs/dbraw/zinc/59/05/58/1067590558.db2.gz JUOPDTOZMBFOIE-OCCSQVGLSA-N 1 1 453.178 4.172 20 0 JIADMO CN(C(=O)c1ccc(Cn2cc(Br)cn2)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001356029360 1067639724 /nfs/dbraw/zinc/63/97/24/1067639724.db2.gz PXVXOKGWCMBXEC-GOSISDBHSA-N 1 1 459.413 4.102 20 0 JIADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC001356052406 1067645121 /nfs/dbraw/zinc/64/51/21/1067645121.db2.gz JCUFXYZBIXBJEC-ZEQKJWHPSA-N 1 1 463.622 4.424 20 0 JIADMO COc1ccc([C@@H]2CCCN2c2nnc(C(C)(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001300094363 1067656554 /nfs/dbraw/zinc/65/65/54/1067656554.db2.gz KSOCENOLRVWIHT-GOTSBHOMSA-N 1 1 455.647 4.283 20 0 JIADMO C[N@H+]1CCN(C(=O)c2cc(I)c(Cl)cc2Cl)C[C@@H]1C(C)(C)C ZINC001300097003 1067662496 /nfs/dbraw/zinc/66/24/96/1067662496.db2.gz LFZSCGGIZVTQIW-CQSZACIVSA-N 1 1 455.167 4.400 20 0 JIADMO COc1ccc(C[C@H](C)CN(C)c2nnc(-c3cccn3C)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300099062 1067668956 /nfs/dbraw/zinc/66/89/56/1067668956.db2.gz AYGOTJCYMAWBOU-VXKWHMMOSA-N 1 1 464.658 4.339 20 0 JIADMO 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1 487.648 4.468 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849505575 1069087167 /nfs/dbraw/zinc/08/71/67/1069087167.db2.gz IGBUFYKRLIQZMO-UXHICEINSA-N 1 1 460.504 4.077 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001492575030 1069091356 /nfs/dbraw/zinc/09/13/56/1069091356.db2.gz GEMCQMSLYPICRO-SDUSCBPUSA-N 1 1 453.675 4.429 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccccc2NC(=O)c2cccs2)[C@H](c2cnn(C)c2)C1 ZINC000849516414 1069100831 /nfs/dbraw/zinc/10/08/31/1069100831.db2.gz PHVXKLQDUMGWKM-OALUTQOASA-N 1 1 451.596 4.187 20 0 JIADMO Cc1ccccc1-c1cc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)n(Cc2ccccc2)n1 ZINC000849515672 1069102437 /nfs/dbraw/zinc/10/24/37/1069102437.db2.gz HGSNCGSOKFZNGU-JWQCQUIFSA-N 1 1 468.605 4.314 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849518310 1069104892 /nfs/dbraw/zinc/10/48/92/1069104892.db2.gz NNOLDPJDCAHJPR-IFMALSPDSA-N 1 1 472.033 4.152 20 0 JIADMO CC[C@@H](CNC(=O)Nc1nnc(Cc2cccc(OC)c2)s1)[N@H+]1CCc2ccccc2C1 ZINC000504187585 1069108555 /nfs/dbraw/zinc/10/85/55/1069108555.db2.gz GJOVNFBMIAXYSA-FQEVSTJZSA-N 1 1 451.596 4.096 20 0 JIADMO COc1ccc(-c2cc(NC(=O)[C@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)n(-c3cccc(C)c3)n2)cc1 ZINC000849518636 1069111199 /nfs/dbraw/zinc/11/11/99/1069111199.db2.gz SHIXLMKMWBNOLV-DQEYMECFSA-N 1 1 484.604 4.264 20 0 JIADMO COc1cccc(Cc2nnc(NC(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)s2)c1 ZINC000504190172 1069112448 /nfs/dbraw/zinc/11/24/48/1069112448.db2.gz MIMBMTKYSZFSFF-UHFFFAOYSA-N 1 1 455.559 4.016 20 0 JIADMO COc1cccc(Cc2nnc(NC(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)s2)c1 ZINC000504190172 1069112470 /nfs/dbraw/zinc/11/24/70/1069112470.db2.gz MIMBMTKYSZFSFF-UHFFFAOYSA-N 1 1 455.559 4.016 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849522263 1069114257 /nfs/dbraw/zinc/11/42/57/1069114257.db2.gz KMYZYUONAFVIFA-UXHICEINSA-N 1 1 452.628 4.050 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCSC[C@H]2C)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300580962 1069116280 /nfs/dbraw/zinc/11/62/80/1069116280.db2.gz WBWLUOXQFPDPSU-WOJBJXKFSA-N 1 1 457.688 4.330 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849522791 1069116476 /nfs/dbraw/zinc/11/64/76/1069116476.db2.gz ORVRCIDDXRJXLE-JWQCQUIFSA-N 1 1 472.593 4.099 20 0 JIADMO CCOc1ccc(-c2csc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)cc1 ZINC000849523701 1069117480 /nfs/dbraw/zinc/11/74/80/1069117480.db2.gz DVYUIXWLTIUAIB-SFTDATJTSA-N 1 1 453.612 4.395 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC000849525310 1069117987 /nfs/dbraw/zinc/11/79/87/1069117987.db2.gz MQCGZPNHJWJVHI-DLBZAZTESA-N 1 1 481.544 4.424 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849525383 1069118022 /nfs/dbraw/zinc/11/80/22/1069118022.db2.gz PMXGCGZCROFZTD-ZEQRLZLVSA-N 1 1 452.599 4.358 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC000849525311 1069118253 /nfs/dbraw/zinc/11/82/53/1069118253.db2.gz MQCGZPNHJWJVHI-IAGOWNOFSA-N 1 1 481.544 4.424 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849526286 1069120050 /nfs/dbraw/zinc/12/00/50/1069120050.db2.gz RJSDIFTWQGSEGC-BJKOFHAPSA-N 1 1 495.668 4.238 20 0 JIADMO COc1ccc(Br)cc1-c1ncc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)s1 ZINC001354338257 1069121914 /nfs/dbraw/zinc/12/19/14/1069121914.db2.gz DRBPQEOBDULRMY-CQSZACIVSA-N 1 1 450.358 4.207 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849525940 1069123399 /nfs/dbraw/zinc/12/33/99/1069123399.db2.gz PRDIUZXAXRTXKC-ZEQRLZLVSA-N 1 1 466.626 4.324 20 0 JIADMO COc1ccccc1CN(c1nnc(C(C)(C)C)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001300598657 1069180771 /nfs/dbraw/zinc/18/07/71/1069180771.db2.gz SEBIXRXQBYXUMG-BGYRXZFFSA-N 1 1 455.647 4.253 20 0 JIADMO CN(Cc1ccccc1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)C(=O)c1cc2ccccc2o1 ZINC000849550469 1069189537 /nfs/dbraw/zinc/18/95/37/1069189537.db2.gz XQNPLDOWHAMGAV-GOTSBHOMSA-N 1 1 485.588 4.113 20 0 JIADMO 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 1069192505 /nfs/dbraw/zinc/19/25/05/1069192505.db2.gz AKMLIPOPTSEZCV-OFAXGOBFSA-N 1 1 469.630 4.458 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)cn1 ZINC000849552278 1069193202 /nfs/dbraw/zinc/19/32/02/1069193202.db2.gz NGUQXMJWLDINNG-LEWJYISDSA-N 1 1 483.410 4.436 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)cn1 ZINC000849551693 1069194504 /nfs/dbraw/zinc/19/45/04/1069194504.db2.gz BLMRIVCPHQNOIS-WGGBDISSSA-N 1 1 458.940 4.293 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849553045 1069196264 /nfs/dbraw/zinc/19/62/64/1069196264.db2.gz PXKSBMUYXXJWGV-FGZHOGPDSA-N 1 1 481.641 4.412 20 0 JIADMO Cc1sc(CCNC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849555459 1069198583 /nfs/dbraw/zinc/19/85/83/1069198583.db2.gz YZHXMIDRGDDABG-FCHUYYIVSA-N 1 1 451.640 4.025 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)cn1 ZINC000849555253 1069199915 /nfs/dbraw/zinc/19/99/15/1069199915.db2.gz QNTNMEIHIISREW-FGZHOGPDSA-N 1 1 462.560 4.493 20 0 JIADMO COc1ccc(-c2csc(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)cc1 ZINC000849560218 1069209383 /nfs/dbraw/zinc/20/93/83/1069209383.db2.gz ZFBITYLFJFQTPZ-RPWUZVMVSA-N 1 1 452.624 4.288 20 0 JIADMO CC[C@H](Cc1ccccc1Br)NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849560670 1069210059 /nfs/dbraw/zinc/21/00/59/1069210059.db2.gz DKADEKVCYKJMCU-NJYVYQBISA-N 1 1 461.448 4.134 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc3cccc(Br)c3n2)[C@@H](c2cnn(C)c2)C1 ZINC000849563117 1069211314 /nfs/dbraw/zinc/21/13/14/1069211314.db2.gz PCEMWRHEHPLASM-QZTJIDSGSA-N 1 1 456.388 4.183 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(I)ccc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849563687 1069213403 /nfs/dbraw/zinc/21/34/03/1069213403.db2.gz RUJMQEWGXRGUJV-CVEARBPZSA-N 1 1 486.785 4.131 20 0 JIADMO COc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300610810 1069216690 /nfs/dbraw/zinc/21/66/90/1069216690.db2.gz UCYBXFXFBBCDJA-FYYLOGMGSA-N 1 1 455.647 4.174 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849565951 1069217300 /nfs/dbraw/zinc/21/73/00/1069217300.db2.gz XOOWPSUBCVRJLC-SFTDATJTSA-N 1 1 499.413 4.218 20 0 JIADMO Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)C3)cs1 ZINC000849571292 1069222291 /nfs/dbraw/zinc/22/22/91/1069222291.db2.gz IEEXVXUWZGKDRK-UXHICEINSA-N 1 1 469.680 4.312 20 0 JIADMO CCc1noc(-c2ccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)c(Cl)c2)n1 ZINC000849571866 1069223939 /nfs/dbraw/zinc/22/39/39/1069223939.db2.gz JBENINGBMIWTDP-MSOLQXFVSA-N 1 1 456.978 4.139 20 0 JIADMO COCCOc1c(Cl)cc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1Cl ZINC000849573275 1069224001 /nfs/dbraw/zinc/22/40/01/1069224001.db2.gz RIDORZPBANFKOU-QZTJIDSGSA-N 1 1 469.413 4.205 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)SC)CC1 ZINC001300614440 1069225095 /nfs/dbraw/zinc/22/50/95/1069225095.db2.gz BLLGUZOKFNBQIB-UHFFFAOYSA-N 1 1 457.688 4.483 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCc2cccc(OCc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849573922 1069225162 /nfs/dbraw/zinc/22/51/62/1069225162.db2.gz VBWBCNMWNZFDHA-SXOMAYOGSA-N 1 1 460.622 4.172 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)[C@H](c2cnn(C)c2)C1 ZINC000849573938 1069225245 /nfs/dbraw/zinc/22/52/45/1069225245.db2.gz VIJNYDBWINQEQV-SONWIMMPSA-N 1 1 466.029 4.383 20 0 JIADMO CCOCCOc1ccc(Br)cc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849575272 1069227110 /nfs/dbraw/zinc/22/71/10/1069227110.db2.gz JTGHUEVCZPAVQE-VQTJNVASSA-N 1 1 493.446 4.051 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cn1 ZINC000849576113 1069229258 /nfs/dbraw/zinc/22/92/58/1069229258.db2.gz CLPLRJXGTBXYOI-PMACEKPBSA-N 1 1 469.948 4.139 20 0 JIADMO COc1ccc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c(OCc2ccccc2)c1 ZINC000849581075 1069232444 /nfs/dbraw/zinc/23/24/44/1069232444.db2.gz DQAQXEPQDJTXMI-RPWUZVMVSA-N 1 1 462.594 4.460 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(C)Cc2ccc(Br)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849583342 1069234002 /nfs/dbraw/zinc/23/40/02/1069234002.db2.gz SUSIWWWZBZKNCB-MOPGFXCFSA-N 1 1 467.839 4.309 20 0 JIADMO 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 1069234847 /nfs/dbraw/zinc/23/48/47/1069234847.db2.gz WWHXXQCFNOHSPZ-BHIYHBOVSA-N 1 1 453.414 4.078 20 0 JIADMO COc1cc(OC)cc(Oc2ccc(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)c1 ZINC000849588055 1069239543 /nfs/dbraw/zinc/23/95/43/1069239543.db2.gz OXKPIOUFPZAGGW-KAYWLYCHSA-N 1 1 492.620 4.360 20 0 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c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5scc(-c6ccccc6)c54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746068 720819657 /nfs/dbraw/zinc/81/96/57/720819657.db2.gz XWLOWVFZDDWIBI-FUPPJEDESA-N 1 1 471.634 4.329 20 0 JIADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739634 720820322 /nfs/dbraw/zinc/82/03/22/720820322.db2.gz HZGYVXMCSDCTSD-KJXAQDMKSA-N 1 1 499.997 4.313 20 0 JIADMO FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739397 720838207 /nfs/dbraw/zinc/83/82/07/720838207.db2.gz ADGXCOBXJJXKOI-XQBPLPMBSA-N 1 1 472.971 4.404 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4F)nc4ccc(Cl)cc43)CC[C@@H]2C1 ZINC001164854231 720845156 /nfs/dbraw/zinc/84/51/56/720845156.db2.gz QFAGXYBBIUSWIW-UZUQRXQVSA-N 1 1 470.976 4.263 20 0 JIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740573 720846272 /nfs/dbraw/zinc/84/62/72/720846272.db2.gz CVEDZCUVUYRQLG-WOIUINJBSA-N 1 1 495.027 4.036 20 0 JIADMO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164750240 720858204 /nfs/dbraw/zinc/85/82/04/720858204.db2.gz OXGYTWQXXLKQLG-WSTZPKSXSA-N 1 1 483.979 4.032 20 0 JIADMO COCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(-c2ccccc2)n1 ZINC001164748510 720873217 /nfs/dbraw/zinc/87/32/17/720873217.db2.gz FPZLSPRUTAGBAF-VIZCGCQYSA-N 1 1 499.659 4.440 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4cc(-c5ccc(Cl)cc5)sc43)CC[C@@H]2C1 ZINC001164862961 720875491 /nfs/dbraw/zinc/87/54/91/720875491.db2.gz SEJXIPWBOJSZQE-YLJYHZDGSA-N 1 1 459.015 4.185 20 0 JIADMO c1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164755513 720877250 /nfs/dbraw/zinc/87/72/50/720877250.db2.gz YCNGFIAYNSBXAN-LSYYVWMOSA-N 1 1 455.606 4.294 20 0 JIADMO Clc1nc2c(c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CCCC2 ZINC001164748395 720878707 /nfs/dbraw/zinc/87/87/07/720878707.db2.gz DPQWLQVPGVBBNT-QFQXNSOFSA-N 1 1 468.045 4.159 20 0 JIADMO Clc1nnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2sccc21 ZINC001164754086 720880275 /nfs/dbraw/zinc/88/02/75/720880275.db2.gz QZWGMWOSDOHEEZ-NTKDMRAZSA-N 1 1 470.042 4.495 20 0 JIADMO Clc1nc(-c2ccccc2)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757451 720883451 /nfs/dbraw/zinc/88/34/51/720883451.db2.gz UZPKFYPMFGLKAB-HOFKKMOUSA-N 1 1 491.039 4.342 20 0 JIADMO Clc1cccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cnc12 ZINC001164752600 720883490 /nfs/dbraw/zinc/88/34/90/720883490.db2.gz FLFJFEWHZJXHOU-QFQXNSOFSA-N 1 1 464.013 4.433 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)CC[C@H]2C1 ZINC001164853377 720884357 /nfs/dbraw/zinc/88/43/57/720884357.db2.gz CFOMGELGJWALQT-UWJYYQICSA-N 1 1 469.935 4.260 20 0 JIADMO COC(=O)c1ccc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164756602 720885152 /nfs/dbraw/zinc/88/51/52/720885152.db2.gz QTROEOTXYAIXCO-VAVYLYDRSA-N 1 1 486.616 4.172 20 0 JIADMO CSc1nc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CCCC2 ZINC001164753321 720887416 /nfs/dbraw/zinc/88/74/16/720887416.db2.gz GLBPSFNLTTZZOY-CUNXSJBXSA-N 1 1 479.694 4.227 20 0 JIADMO CCOC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164756537 720888586 /nfs/dbraw/zinc/88/85/86/720888586.db2.gz QDHWRSWEWIOIIM-CUNXSJBXSA-N 1 1 499.055 4.370 20 0 JIADMO F[C@H](Oc1cccc(Cl)n1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756595 720889546 /nfs/dbraw/zinc/88/95/46/720889546.db2.gz QTHZZRNAJBSAAK-FGCOXFRFSA-N 1 1 460.981 4.013 20 0 JIADMO CSc1nc(Cl)ncc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757869 720889558 /nfs/dbraw/zinc/88/95/58/720889558.db2.gz VZUMKYAGLCJAFX-WMZHIEFXSA-N 1 1 460.047 4.002 20 0 JIADMO CCc1c(Cl)nnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1CC ZINC001164751716 720891057 /nfs/dbraw/zinc/89/10/57/720891057.db2.gz DCSSHJYHQCBLNT-RLWLMLJZSA-N 1 1 470.061 4.405 20 0 JIADMO CCOC(=O)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164755125 720891960 /nfs/dbraw/zinc/89/19/60/720891960.db2.gz KXUFSLZLLRXKTD-NVQXNPDNSA-N 1 1 485.028 4.062 20 0 JIADMO CCOc1ccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164757422 720893188 /nfs/dbraw/zinc/89/31/88/720893188.db2.gz ULADAOKFOUYDCE-QDPGVEIFSA-N 1 1 473.621 4.179 20 0 JIADMO Clc1ccc2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2n1 ZINC001164754355 720893530 /nfs/dbraw/zinc/89/35/30/720893530.db2.gz INZNOPVMXZHNOI-BKMJKUGQSA-N 1 1 464.013 4.433 20 0 JIADMO Clc1ccc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164757159 720895157 /nfs/dbraw/zinc/89/51/57/720895157.db2.gz TUAOBIPGWXFUPE-ATIYNZHBSA-N 1 1 464.013 4.433 20 0 JIADMO Cc1nc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(Cl)c1C ZINC001164758509 720896472 /nfs/dbraw/zinc/89/64/72/720896472.db2.gz YVQIVICUIOQFGD-XUZZJYLKSA-N 1 1 492.014 4.442 20 0 JIADMO Clc1nnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2occc21 ZINC001164758432 720897939 /nfs/dbraw/zinc/89/79/39/720897939.db2.gz YAMOAEPMTZQZDE-DVECYGJZSA-N 1 1 453.974 4.026 20 0 JIADMO CCc1cc2c(nc(Cl)nc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH]1 ZINC001164751383 720903454 /nfs/dbraw/zinc/90/34/54/720903454.db2.gz LTGOTVBPYRXNHF-IBVKSMDESA-N 1 1 481.044 4.324 20 0 JIADMO Nc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cnc1Cl ZINC001164750678 720907655 /nfs/dbraw/zinc/90/76/55/720907655.db2.gz JYSAHGFEIQCJDH-REWPJTCUSA-N 1 1 477.987 4.012 20 0 JIADMO COc1cc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc2cc1OC ZINC001164752076 720917865 /nfs/dbraw/zinc/91/78/65/720917865.db2.gz NAPBWHROHOZRSC-SVEHJYQDSA-N 1 1 488.632 4.402 20 0 JIADMO CCc1nc2sccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753120 720926722 /nfs/dbraw/zinc/92/67/22/720926722.db2.gz QFJVUXBOGTVYDV-HFZDXXHNSA-N 1 1 463.651 4.404 20 0 JIADMO c1ccc(Oc2nccnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc1 ZINC001164747463 720927179 /nfs/dbraw/zinc/92/71/79/720927179.db2.gz DIHFTZSMOJONQO-RBJSKKJNSA-N 1 1 471.605 4.419 20 0 JIADMO Cc1nc(C)c(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)s1 ZINC001164750084 720927731 /nfs/dbraw/zinc/92/77/31/720927731.db2.gz JAZGFTHSABRVEM-WNCULLNHSA-N 1 1 490.677 4.367 20 0 JIADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(-c4nc(C5CC5)no4)ccn2)C3)c1 ZINC001164754284 720928704 /nfs/dbraw/zinc/92/87/04/720928704.db2.gz VWGKLOXLNBCXAF-YWEHKCAJSA-N 1 1 486.620 4.159 20 0 JIADMO c1cc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cs1 ZINC001164751432 720929341 /nfs/dbraw/zinc/92/93/41/720929341.db2.gz MLBBHAPNNQUWRA-JYFHCDHNSA-N 1 1 461.635 4.355 20 0 JIADMO Cc1cc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1C ZINC001164752882 720929884 /nfs/dbraw/zinc/92/98/84/720929884.db2.gz PFRIDRXZUFFYME-CUBQBAPOSA-N 1 1 457.622 4.397 20 0 JIADMO CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)[C@@H]2C ZINC001164859536 721023715 /nfs/dbraw/zinc/02/37/15/721023715.db2.gz JCZYFRZBBUHHME-MRXNPFEDSA-N 1 1 464.992 4.275 20 0 JIADMO CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)[C@H]2C ZINC001164859533 721024204 /nfs/dbraw/zinc/02/42/04/721024204.db2.gz JCZYFRZBBUHHME-INIZCTEOSA-N 1 1 464.992 4.275 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CCC[C@@]5(C[C@H](OCc6ccccn6)CO5)C4)ccc3C2)cc1 ZINC001164763729 721027419 /nfs/dbraw/zinc/02/74/19/721027419.db2.gz KTTWXALMSCJXGI-LITSAYRRSA-N 1 1 470.617 4.380 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@@H]3CC(=O)N4Cc3cccc(C)n3)c2c1C ZINC001164773561 721054886 /nfs/dbraw/zinc/05/48/86/721054886.db2.gz SERQYEGKGWGALU-VXKWHMMOSA-N 1 1 490.677 4.377 20 0 JIADMO COc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)c23)cc1 ZINC001164876475 721139743 /nfs/dbraw/zinc/13/97/43/721139743.db2.gz MRRZKYINERFEED-UNMCSNQZSA-N 1 1 473.602 4.242 20 0 JIADMO Cc1sc2nc(-c3cccnc3)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164872716 721143776 /nfs/dbraw/zinc/14/37/76/721143776.db2.gz IFJKJAHYTLJPAY-FCHUYYIVSA-N 1 1 472.618 4.245 20 0 JIADMO Fc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164878371 721144738 /nfs/dbraw/zinc/14/47/38/721144738.db2.gz PXKXQSKEZLFEPM-PKTZIBPZSA-N 1 1 455.537 4.311 20 0 JIADMO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164876387 721148499 /nfs/dbraw/zinc/14/84/99/721148499.db2.gz MDBHQQBVBLHVBD-SJORKVTESA-N 1 1 477.968 4.278 20 0 JIADMO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164876383 721149437 /nfs/dbraw/zinc/14/94/37/721149437.db2.gz MDBHQQBVBLHVBD-IAGOWNOFSA-N 1 1 477.968 4.278 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164765699 721159638 /nfs/dbraw/zinc/15/96/38/721159638.db2.gz KCNIEELVUDJVSR-RBUKOAKNSA-N 1 1 458.944 4.034 20 0 JIADMO CCN1C(=O)[C@]2(CC[C@@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@@H]32)N=C1C ZINC001164872548 721233611 /nfs/dbraw/zinc/23/36/11/721233611.db2.gz MTQJRBFHRZXPLR-WXJXEWBDSA-N 1 1 488.661 4.285 20 0 JIADMO COc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(Cl)nn1 ZINC001164764877 721246516 /nfs/dbraw/zinc/24/65/16/721246516.db2.gz QIBMNSQARLCIGS-ROUUACIJSA-N 1 1 488.970 4.042 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@@H]5C[C@@H](COc6ccccn6)C[C@@H]54)ccc3C2)cc1 ZINC001164881026 721311845 /nfs/dbraw/zinc/31/18/45/721311845.db2.gz UCDJXNZOAKNYBN-UCGXPXSYSA-N 1 1 456.590 4.098 20 0 JIADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(CC(N(C)C)=NO5)CC4)c23)C1 ZINC001164878099 721326805 /nfs/dbraw/zinc/32/68/05/721326805.db2.gz YOEWXXUOUOSGQJ-KRWDZBQOSA-N 1 1 468.671 4.046 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)c2ccnc([C@@H]3COCCN3)n2)nc1 ZINC001164877561 721329645 /nfs/dbraw/zinc/32/96/45/721329645.db2.gz WCZFHCKAGCCPBE-FCHUYYIVSA-N 1 1 459.598 4.334 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(F)c(Cl)n3)C2)C1 ZINC001164776313 721337827 /nfs/dbraw/zinc/33/78/27/721337827.db2.gz DRKFKAOGWUBBOB-FQEVSTJZSA-N 1 1 458.912 4.143 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(F)c(Cl)n3)C2)C1 ZINC001164776313 721337828 /nfs/dbraw/zinc/33/78/28/721337828.db2.gz DRKFKAOGWUBBOB-FQEVSTJZSA-N 1 1 458.912 4.143 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccnc3C3SCCCS3)C2)C1 ZINC001164778751 721344358 /nfs/dbraw/zinc/34/43/58/721344358.db2.gz OIJFOKDDMVCRIT-HSZRJFAPSA-N 1 1 475.684 4.069 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccnc3C3SCCCS3)C2)C1 ZINC001164778751 721344364 /nfs/dbraw/zinc/34/43/64/721344364.db2.gz OIJFOKDDMVCRIT-HSZRJFAPSA-N 1 1 475.684 4.069 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(C)c(Cl)n3)C2)C1 ZINC001164779422 721352494 /nfs/dbraw/zinc/35/24/94/721352494.db2.gz SZFPSEYFKVVNMH-OAQYLSRUSA-N 1 1 454.949 4.312 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(C)c(Cl)n3)C2)C1 ZINC001164779422 721352497 /nfs/dbraw/zinc/35/24/97/721352497.db2.gz SZFPSEYFKVVNMH-OAQYLSRUSA-N 1 1 454.949 4.312 20 0 JIADMO CSc1nc2ccccc2c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164778204 721353435 /nfs/dbraw/zinc/35/34/35/721353435.db2.gz KYADOUXYUQBMAC-DEOSSOPVSA-N 1 1 453.612 4.076 20 0 JIADMO COc1cccc2nc(Cl)nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c21 ZINC001164777785 721353695 /nfs/dbraw/zinc/35/36/95/721353695.db2.gz HWILUQFNTOFJHJ-DEOSSOPVSA-N 1 1 471.989 4.016 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3c(F)ccc4c(Cl)ncnc43)C2)C1 ZINC001164786970 721377201 /nfs/dbraw/zinc/37/72/01/721377201.db2.gz WCBXDZXENDFINY-HSZRJFAPSA-N 1 1 459.953 4.146 20 0 JIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@@]3(CCC[C@@H]3COCc3ccncc3)C2)n1 ZINC001164779649 721384852 /nfs/dbraw/zinc/38/48/52/721384852.db2.gz BWDSTWSUMOZOQF-RDGATRHJSA-N 1 1 457.018 4.318 20 0 JIADMO 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Cc1cc2nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc(N3CCOCC3)c2s1 ZINC001164791986 721497158 /nfs/dbraw/zinc/49/71/58/721497158.db2.gz IKOBJHKKRZTFPI-UHFFFAOYSA-N 1 1 478.666 4.112 20 0 JIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(N3CCN(c4ccccc4)CC3)nn1)CC2 ZINC001164796262 721501063 /nfs/dbraw/zinc/50/10/63/721501063.db2.gz OWISXXIWEFLZCB-UHFFFAOYSA-N 1 1 483.664 4.079 20 0 JIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)CC[N@H+]3C2)c1 ZINC001164900553 721523500 /nfs/dbraw/zinc/52/35/00/721523500.db2.gz SFZXVEPOKLDPHK-IRLDBZIGSA-N 1 1 479.987 4.127 20 0 JIADMO Fc1cccc(Cn2ccc3c2ncnc3N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164907749 721538400 /nfs/dbraw/zinc/53/84/00/721538400.db2.gz OGUWFGPJWMBRLE-JTHBVZDNSA-N 1 1 461.516 4.100 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)cnc3c2)[C@H]2CCCO[C@H]12 ZINC001164808364 721548906 /nfs/dbraw/zinc/54/89/06/721548906.db2.gz RQEGWELEUAZEPL-VWPQPMDRSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)cnc3c2)[C@H]2CCCO[C@H]12 ZINC001164808364 721548907 /nfs/dbraw/zinc/54/89/07/721548907.db2.gz RQEGWELEUAZEPL-VWPQPMDRSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(F)c2)[C@H]2CCCO[C@@H]12 ZINC001164811478 721589578 /nfs/dbraw/zinc/58/95/78/721589578.db2.gz XQUJUTUOJROFPJ-KSEOMHKRSA-N 1 1 469.948 4.325 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(F)c2)[C@H]2CCCO[C@@H]12 ZINC001164811478 721589580 /nfs/dbraw/zinc/58/95/80/721589580.db2.gz XQUJUTUOJROFPJ-KSEOMHKRSA-N 1 1 469.948 4.325 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCn4cnc(COCC5CC5)c4C3)c2c1C ZINC001164805250 721600013 /nfs/dbraw/zinc/60/00/13/721600013.db2.gz ZKRINHHGMBSUHK-UHFFFAOYSA-N 1 1 466.655 4.437 20 0 JIADMO COc1cccc(Oc2cncc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164907660 721715156 /nfs/dbraw/zinc/71/51/56/721715156.db2.gz SKEKDQXOZTURBB-DEOSSOPVSA-N 1 1 467.520 4.410 20 0 JIADMO 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CC1CCN(C(=O)c2cccnc2N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)CC1 ZINC001164911541 721760684 /nfs/dbraw/zinc/76/06/84/721760684.db2.gz PHYDWSCIEMAXHR-UHFFFAOYSA-N 1 1 459.594 4.136 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](OCC3CC3)[C@H]3COC[C@H]32)n1 ZINC001165015617 721763769 /nfs/dbraw/zinc/76/37/69/721763769.db2.gz SQHMBUZJEMWGHI-TYPHKJRUSA-N 1 1 450.608 4.050 20 0 JIADMO c1cncc(O[C@H]2CO[C@@]3(CCN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C3)C2)c1 ZINC001164916094 721807072 /nfs/dbraw/zinc/80/70/72/721807072.db2.gz NFOAOPFYLMOJAX-HRFSGMKKSA-N 1 1 491.661 4.378 20 0 JIADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020726 721810795 /nfs/dbraw/zinc/81/07/95/721810795.db2.gz CTJFCENGZLWNDT-KVSKMBFKSA-N 1 1 464.944 4.198 20 0 JIADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165019917 721819605 /nfs/dbraw/zinc/81/96/05/721819605.db2.gz CBZFTBAXXRQUDC-NZJKTDFXSA-N 1 1 472.637 4.148 20 0 JIADMO 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O=C1NCc2ccccc2CC12CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164968225 722078361 /nfs/dbraw/zinc/07/83/61/722078361.db2.gz WQDSJAASOBUMHL-UHFFFAOYSA-N 1 1 452.602 4.099 20 0 JIADMO c1sc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164983394 722107375 /nfs/dbraw/zinc/10/73/75/722107375.db2.gz PUKLUBOHVXUTFG-FYYLOGMGSA-N 1 1 457.603 4.481 20 0 JIADMO c1sc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164983396 722107645 /nfs/dbraw/zinc/10/76/45/722107645.db2.gz PUKLUBOHVXUTFG-GMAHTHKFSA-N 1 1 457.603 4.481 20 0 JIADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981021 722108131 /nfs/dbraw/zinc/10/81/31/722108131.db2.gz SBUHTLXPNBMKPC-NFBKMPQASA-N 1 1 485.966 4.464 20 0 JIADMO Fc1ccc2nc(C(F)(F)N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(Cl)c2c1 ZINC001164977369 722114410 /nfs/dbraw/zinc/11/44/10/722114410.db2.gz MTAZDFIJTQXXQM-OXJNMPFZSA-N 1 1 477.918 4.090 20 0 JIADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985096 722141095 /nfs/dbraw/zinc/14/10/95/722141095.db2.gz ZHXKVNRWANMYLH-JJTGBXKASA-N 1 1 472.637 4.131 20 0 JIADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164978880 722141298 /nfs/dbraw/zinc/14/12/98/722141298.db2.gz KGDBQFWXTBTHQV-IZZNHLLZSA-N 1 1 482.632 4.219 20 0 JIADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978938 722141384 /nfs/dbraw/zinc/14/13/84/722141384.db2.gz LCLCFRBCERBWMZ-DHIUTWEWSA-N 1 1 494.709 4.272 20 0 JIADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979632 722147825 /nfs/dbraw/zinc/14/78/25/722147825.db2.gz LPTAFFMXRVKMFS-OFNKIYASSA-N 1 1 485.966 4.464 20 0 JIADMO Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164972214 722152836 /nfs/dbraw/zinc/15/28/36/722152836.db2.gz GYDLATTYHWQSPO-OZXSUGGESA-N 1 1 478.040 4.460 20 0 JIADMO 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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 ZINC001316393573 1066168941 /nfs/dbraw/zinc/16/89/41/1066168941.db2.gz IZJZSKORYIOZGC-MQFRRQCYSA-N 1 1 493.762 4.275 20 0 JIADMO CS[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)C(C)(C)C ZINC001316402704 1066181505 /nfs/dbraw/zinc/18/15/05/1066181505.db2.gz YYTAIDMVKPEPEE-MAUQACMESA-N 1 1 493.762 4.275 20 0 JIADMO CSc1ccccc1CN(C)c1nnc(-c2cccc(C)n2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001316419393 1066222051 /nfs/dbraw/zinc/22/20/51/1066222051.db2.gz DPCDJLGGQRHNIR-UHFFFAOYSA-N 1 1 493.725 4.280 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)c(OC)c2)C1 ZINC001324751000 1066228758 /nfs/dbraw/zinc/22/87/58/1066228758.db2.gz TYLOVZVDSQXVGT-NZRVCZAQSA-N 1 1 493.648 4.345 20 0 JIADMO CSc1ccccc1CN(C)c1nnc(C2CCCC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001316422742 1066232462 /nfs/dbraw/zinc/23/24/62/1066232462.db2.gz CLBKPLOAGABXHB-JOCHJYFZSA-N 1 1 484.714 4.237 20 0 JIADMO CS[C@H]1CCCCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001316424124 1066239159 /nfs/dbraw/zinc/23/91/59/1066239159.db2.gz SAIUTGVRJAGJQP-FQEVSTJZSA-N 1 1 464.079 4.431 20 0 JIADMO O=C(C[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC001325235487 1066241349 /nfs/dbraw/zinc/24/13/49/1066241349.db2.gz JUMZAWLZCCQYOF-NRFANRHFSA-N 1 1 492.620 4.473 20 0 JIADMO O=C(C[N@H+]1CCC[C@H](C(=O)NC2CC2)C1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC001325235487 1066241362 /nfs/dbraw/zinc/24/13/62/1066241362.db2.gz JUMZAWLZCCQYOF-NRFANRHFSA-N 1 1 492.620 4.473 20 0 JIADMO CSc1ccccc1CN(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCC[C@H]1C ZINC001316426163 1066244794 /nfs/dbraw/zinc/24/47/94/1066244794.db2.gz VXQZUNBNVRYJEX-GOSISDBHSA-N 1 1 484.695 4.112 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc(CC(C)(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001316426573 1066246892 /nfs/dbraw/zinc/24/68/92/1066246892.db2.gz NEJVBUUCQPBWNK-HSZRJFAPSA-N 1 1 485.746 4.196 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc(-c3ccccn3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001316426537 1066247349 /nfs/dbraw/zinc/24/73/49/1066247349.db2.gz JDNSBNZEZUHPNF-OAQYLSRUSA-N 1 1 454.619 4.333 20 0 JIADMO CS[C@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001316428464 1066255648 /nfs/dbraw/zinc/25/56/48/1066255648.db2.gz PBXUUNFMRJACRD-QFIPXVFZSA-N 1 1 491.149 4.270 20 0 JIADMO CS[C@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001316428464 1066255659 /nfs/dbraw/zinc/25/56/59/1066255659.db2.gz PBXUUNFMRJACRD-QFIPXVFZSA-N 1 1 491.149 4.270 20 0 JIADMO CS[C@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001316428464 1066255675 /nfs/dbraw/zinc/25/56/75/1066255675.db2.gz PBXUUNFMRJACRD-QFIPXVFZSA-N 1 1 491.149 4.270 20 0 JIADMO Cc1ccccc1C[NH+]1CCN(C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)CC1 ZINC001325579504 1066255862 /nfs/dbraw/zinc/25/58/62/1066255862.db2.gz KVBAXMDXFCQHJV-UHFFFAOYSA-N 1 1 452.599 4.047 20 0 JIADMO CS[C@H]1CCCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C(C)C)C1 ZINC001316428780 1066257552 /nfs/dbraw/zinc/25/75/52/1066257552.db2.gz AKSCCZRAOFGYJZ-PMACEKPBSA-N 1 1 480.723 4.412 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc(CCc3ccccc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001316429355 1066260020 /nfs/dbraw/zinc/26/00/20/1066260020.db2.gz XUQBNQBYHYFLCP-DNQXCXABSA-N 1 1 471.715 4.142 20 0 JIADMO CS[C@H]1CCCCN(c2nnc(CCc3ccccc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001316429356 1066260141 /nfs/dbraw/zinc/26/01/41/1066260141.db2.gz XUQBNQBYHYFLCP-RPWUZVMVSA-N 1 1 471.715 4.142 20 0 JIADMO CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001325967854 1066276108 /nfs/dbraw/zinc/27/61/08/1066276108.db2.gz BLRNEXGUYDVTPA-VWLOTQADSA-N 1 1 486.620 4.352 20 0 JIADMO CSC[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001316433358 1066278355 /nfs/dbraw/zinc/27/83/55/1066278355.db2.gz OZAOFTVUQXAXDG-PMVMPFDFSA-N 1 1 484.714 4.049 20 0 JIADMO COc1ccc([C@H](NC(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)c2ccc(F)cc2)cc1 ZINC001326128131 1066285313 /nfs/dbraw/zinc/28/53/13/1066285313.db2.gz DDCWKYOKBHHDNC-HHHXNRCGSA-N 1 1 476.596 4.171 20 0 JIADMO Cc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492500606 1066288184 /nfs/dbraw/zinc/28/81/84/1066288184.db2.gz KQSVLBKBNNLKJW-SFHVURJKSA-N 1 1 471.053 4.184 20 0 JIADMO CSC[C@@H]1CCCN1c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001316436547 1066289347 /nfs/dbraw/zinc/28/93/47/1066289347.db2.gz LWIHOXZHJRQTDZ-IBGZPJMESA-N 1 1 494.503 4.150 20 0 JIADMO Cc1cccc(-c2nnc(N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2CC[S@](=O)C(C)(C)C)n1 ZINC001492501230 1066293019 /nfs/dbraw/zinc/29/30/19/1066293019.db2.gz HCCPGTKICKVCCB-NMRUTFGKSA-N 1 1 494.709 4.154 20 0 JIADMO CSC[C@@H]1CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001316443053 1066307225 /nfs/dbraw/zinc/30/72/25/1066307225.db2.gz WUSFGDXBAKLKRX-LADGPHEKSA-N 1 1 487.714 4.163 20 0 JIADMO CSCC[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001316446960 1066319687 /nfs/dbraw/zinc/31/96/87/1066319687.db2.gz MQVZSHWKJNYHAN-WZONZLPQSA-N 1 1 496.146 4.384 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001316448781 1066324959 /nfs/dbraw/zinc/32/49/59/1066324959.db2.gz QXFRKHQHWXPTLY-WWNPGLIZSA-N 1 1 457.688 4.415 20 0 JIADMO CSCC[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC001316450678 1066329645 /nfs/dbraw/zinc/32/96/45/1066329645.db2.gz NTSGRCFPKDJGSP-MRXNPFEDSA-N 1 1 482.683 4.149 20 0 JIADMO CCN(CC)c1nc2sc(C(=O)N3CC[C@H](Oc4ccnc(C[N@@H+](C)CC)c4)C3)cc2s1 ZINC001328858501 1066330412 /nfs/dbraw/zinc/33/04/12/1066330412.db2.gz RRYGKYGMCMHAPS-SFHVURJKSA-N 1 1 473.668 4.344 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492508204 1066333056 /nfs/dbraw/zinc/33/30/56/1066333056.db2.gz KVYKUIASQJOYKH-FQEVSTJZSA-N 1 1 497.688 4.264 20 0 JIADMO CSCCCCCn1c(-c2cccn2C)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316453410 1066338325 /nfs/dbraw/zinc/33/83/25/1066338325.db2.gz GSCAADHLFYRWGK-OYRHEFFESA-N 1 1 474.719 4.143 20 0 JIADMO Cc1cccc(-c2nnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCCC2)n1 ZINC001492510198 1066340324 /nfs/dbraw/zinc/34/03/24/1066340324.db2.gz JYSMPKMIICTIEF-QFIPXVFZSA-N 1 1 497.688 4.359 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@](C)(O)c2ccsc2)n1 ZINC001492511863 1066347360 /nfs/dbraw/zinc/34/73/60/1066347360.db2.gz MNZFZJDGVSSYJG-VWLOTQADSA-N 1 1 468.671 4.174 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(CCN(C)C(=O)OC(C)(C)C)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001492512010 1066348947 /nfs/dbraw/zinc/34/89/47/1066348947.db2.gz SMTYAGUOCDITNS-UHFFFAOYSA-N 1 1 499.704 4.462 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(CN(C)C(=O)OC(C)(C)C)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001492512431 1066351104 /nfs/dbraw/zinc/35/11/04/1066351104.db2.gz ZESYZDAWDIVPBB-UHFFFAOYSA-N 1 1 485.677 4.072 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCC(=O)NC(C)(C)C)n1 ZINC001492514521 1066355957 /nfs/dbraw/zinc/35/59/57/1066355957.db2.gz SAWSVJCJFUQJRC-YADHBBJMSA-N 1 1 481.689 4.044 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)n2CCC(=O)NC(C)(C)C)n1 ZINC001492514517 1066356030 /nfs/dbraw/zinc/35/60/30/1066356030.db2.gz SAWSVJCJFUQJRC-FGZHOGPDSA-N 1 1 481.689 4.044 20 0 JIADMO Cc1cccc2sc(N(Cc3ccccc3)C(=O)C[N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)nc21 ZINC001331335872 1066358604 /nfs/dbraw/zinc/35/86/04/1066358604.db2.gz VITDCTFWBLOJRJ-HXUWFJFHSA-N 1 1 462.619 4.129 20 0 JIADMO Cc1cccc2sc(N(Cc3ccccc3)C(=O)C[N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)nc21 ZINC001331335872 1066358618 /nfs/dbraw/zinc/35/86/18/1066358618.db2.gz VITDCTFWBLOJRJ-HXUWFJFHSA-N 1 1 462.619 4.129 20 0 JIADMO Cc1ccc(CCNS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)nc1 ZINC001475369073 1066358970 /nfs/dbraw/zinc/35/89/70/1066358970.db2.gz QKYWHIQQMHZFOO-LOSJGSFVSA-N 1 1 470.038 4.174 20 0 JIADMO CSCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001316463886 1066362086 /nfs/dbraw/zinc/36/20/86/1066362086.db2.gz XRVNYCRWARCSFJ-QHCPKHFHSA-N 1 1 498.741 4.129 20 0 JIADMO Cc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001492516044 1066364184 /nfs/dbraw/zinc/36/41/84/1066364184.db2.gz NWVSFKFIMBTIQH-LJQANCHMSA-N 1 1 493.622 4.233 20 0 JIADMO Cc1cccc(-c2nnc(N3CC[NH+](Cc4cccs4)CC3)n2CCCOCC(C)C)n1 ZINC001492518453 1066377933 /nfs/dbraw/zinc/37/79/33/1066377933.db2.gz GKAPBLATEBSEFN-UHFFFAOYSA-N 1 1 454.644 4.095 20 0 JIADMO CSCCCn1c(-c2ccccc2Br)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316473526 1066381253 /nfs/dbraw/zinc/38/12/53/1066381253.db2.gz IEXNRGIFFPCFGL-CALCHBBNSA-N 1 1 482.492 4.006 20 0 JIADMO CSCCCn1c(-c2ccccc2Br)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316473526 1066381266 /nfs/dbraw/zinc/38/12/66/1066381266.db2.gz IEXNRGIFFPCFGL-CALCHBBNSA-N 1 1 482.492 4.006 20 0 JIADMO CSCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316475284 1066385622 /nfs/dbraw/zinc/38/56/22/1066385622.db2.gz WQKCFVLQNGCPQS-HDICACEKSA-N 1 1 479.094 4.072 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)CCc3nc(-c4ccc(C(C)C)cc4)no3)C2)ccn1 ZINC001334604136 1066396985 /nfs/dbraw/zinc/39/69/85/1066396985.db2.gz UDDMZUVMVAWJFL-DEOSSOPVSA-N 1 1 477.609 4.319 20 0 JIADMO C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C[C@H](C)C1(F)F ZINC001316499695 1066457781 /nfs/dbraw/zinc/45/77/81/1066457781.db2.gz DFGFVZGCSPOWKN-CLWJZODNSA-N 1 1 467.992 4.466 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccc3F)n2C[C@H]2CCCCC2(F)F)C[C@H](C)O1 ZINC001316502646 1066466345 /nfs/dbraw/zinc/46/63/45/1066466345.db2.gz BKNCVPIFIWXPMA-CEXWTWQISA-N 1 1 465.564 4.455 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccc3F)n2C[C@H]2CCCCC2(F)F)C[C@H](C)O1 ZINC001316502646 1066466352 /nfs/dbraw/zinc/46/63/52/1066466352.db2.gz BKNCVPIFIWXPMA-CEXWTWQISA-N 1 1 465.564 4.455 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@H](C)O1 ZINC001316502859 1066467111 /nfs/dbraw/zinc/46/71/11/1066467111.db2.gz JUYIQYWEHSOJFM-IIZPIQPGSA-N 1 1 494.606 4.178 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@H](C)O1 ZINC001316502859 1066467124 /nfs/dbraw/zinc/46/71/24/1066467124.db2.gz JUYIQYWEHSOJFM-IIZPIQPGSA-N 1 1 494.606 4.178 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(Cl)nc2)C[C@H](C)O1 ZINC001316503331 1066468226 /nfs/dbraw/zinc/46/82/26/1066468226.db2.gz KCKNQQNZDCUFDB-IYBDPMFKSA-N 1 1 493.414 4.380 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2Cc2ccc(Cl)nc2)C[C@H](C)O1 ZINC001316503331 1066468237 /nfs/dbraw/zinc/46/82/37/1066468237.db2.gz KCKNQQNZDCUFDB-IYBDPMFKSA-N 1 1 493.414 4.380 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001316503432 1066469614 /nfs/dbraw/zinc/46/96/14/1066469614.db2.gz OVKIYXADVBQHPQ-KOUHRCEDSA-N 1 1 480.579 4.103 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001316503432 1066469626 /nfs/dbraw/zinc/46/96/26/1066469626.db2.gz OVKIYXADVBQHPQ-KOUHRCEDSA-N 1 1 480.579 4.103 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2C[C@@](C)(O)C2CCCCC2)C[C@H](C)O1 ZINC001316504468 1066475941 /nfs/dbraw/zinc/47/59/41/1066475941.db2.gz YUOBFXZFZCWKKR-BVFVYWQFSA-N 1 1 490.092 4.475 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2C[C@@](C)(O)C2CCCCC2)C[C@H](C)O1 ZINC001316504468 1066475945 /nfs/dbraw/zinc/47/59/45/1066475945.db2.gz YUOBFXZFZCWKKR-BVFVYWQFSA-N 1 1 490.092 4.475 20 0 JIADMO Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NCCCCN2CC[NH+](C)CC2)cc1 ZINC001337377618 1066477470 /nfs/dbraw/zinc/47/74/70/1066477470.db2.gz UZMITYZNIFAQCW-UHFFFAOYSA-N 1 1 466.029 4.259 20 0 JIADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc([C@@H]4CCCCO4)n3CCCC(F)(F)F)CC2)C[C@H](C)O1 ZINC001316505177 1066478028 /nfs/dbraw/zinc/47/80/28/1066478028.db2.gz UNDCILXGMIEFPW-NSHGMRRFSA-N 1 1 473.584 4.188 20 0 JIADMO O=C1N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@@H]1c1cccc(Cl)c1 ZINC001338004318 1066524335 /nfs/dbraw/zinc/52/43/35/1066524335.db2.gz OURUWIMMNSGPAH-RDGATRHJSA-N 1 1 452.986 4.021 20 0 JIADMO Fc1cc(Cl)ccc1-c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCC[NH+]1CCOCC1 ZINC001316520768 1066525651 /nfs/dbraw/zinc/52/56/51/1066525651.db2.gz AMNJJXRNTYCJRN-UHFFFAOYSA-N 1 1 474.795 4.359 20 0 JIADMO COc1cc(-c2noc(C[NH+]3CCC([C@@H]4C(=O)Nc5ccccc54)CC3)n2)ccc1OC(F)F ZINC001338323052 1066547271 /nfs/dbraw/zinc/54/72/71/1066547271.db2.gz BQDJGHCJCNEZBM-NRFANRHFSA-N 1 1 470.476 4.295 20 0 JIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC001338413031 1066553852 /nfs/dbraw/zinc/55/38/52/1066553852.db2.gz OUTOEUWVYBGYMA-UHFFFAOYSA-N 1 1 468.605 4.474 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)CCC(F)F)n2CC[N@@H+]2CCc3sccc3C2)c1 ZINC001492539240 1066625109 /nfs/dbraw/zinc/62/51/09/1066625109.db2.gz HFKFPTCWBUSCFC-UHFFFAOYSA-N 1 1 461.582 4.377 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)CCC(F)F)n2CC[N@H+]2CCc3sccc3C2)c1 ZINC001492539240 1066625118 /nfs/dbraw/zinc/62/51/18/1066625118.db2.gz HFKFPTCWBUSCFC-UHFFFAOYSA-N 1 1 461.582 4.377 20 0 JIADMO COc1ccc([C@@H](CNC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)[NH+]2CCCCC2)cc1 ZINC001345942647 1066648617 /nfs/dbraw/zinc/64/86/17/1066648617.db2.gz FHKSWQZJYMMVAY-SIKLNZKXSA-N 1 1 450.579 4.416 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492541565 1066649075 /nfs/dbraw/zinc/64/90/75/1066649075.db2.gz HERMDCXXHYVNEO-ISKFKSNPSA-N 1 1 469.674 4.395 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2ccc(C)nc2)c1 ZINC001492543129 1066663871 /nfs/dbraw/zinc/66/38/71/1066663871.db2.gz AVINLCLWJKSIOO-UHFFFAOYSA-N 1 1 462.642 4.474 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC001492543332 1066667389 /nfs/dbraw/zinc/66/73/89/1066667389.db2.gz IIAFCQSBVUABNU-HXUWFJFHSA-N 1 1 498.672 4.142 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(CO)CC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001492543422 1066668108 /nfs/dbraw/zinc/66/81/08/1066668108.db2.gz LHONBBPXYHZIKX-ZRZAMGCNSA-N 1 1 469.674 4.132 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2CCOC[C@@H]2C)c1 ZINC001492543859 1066676060 /nfs/dbraw/zinc/67/60/60/1066676060.db2.gz ZVVUIHWYDYBOEE-UPVQGACJSA-N 1 1 469.674 4.395 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC001492544061 1066678697 /nfs/dbraw/zinc/67/86/97/1066678697.db2.gz FTKMLPOEDPRKSX-SFTDATJTSA-N 1 1 495.590 4.181 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC001492544058 1066679072 /nfs/dbraw/zinc/67/90/72/1066679072.db2.gz FTKMLPOEDPRKSX-LEWJYISDSA-N 1 1 495.590 4.181 20 0 JIADMO COC(=O)c1cc(OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)cc(C(=O)OC)c1 ZINC001347762063 1066694468 /nfs/dbraw/zinc/69/44/68/1066694468.db2.gz DRUONXAZRIARFG-FGZHOGPDSA-N 1 1 479.554 4.143 20 0 JIADMO CCN(CC)S(=O)(=O)c1cc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)ccc1Cl ZINC001317828580 1066714158 /nfs/dbraw/zinc/71/41/58/1066714158.db2.gz BRPJCGXFAAMTGI-QGZVFWFLSA-N 1 1 459.056 4.147 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@]2(O)CCC[C@@H]2C)c1 ZINC001492546082 1066768724 /nfs/dbraw/zinc/76/87/24/1066768724.db2.gz OXUXBKYLHOQEHU-LVXARBLLSA-N 1 1 455.647 4.027 20 0 JIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001317915130 1066783782 /nfs/dbraw/zinc/78/37/82/1066783782.db2.gz WKYUFWITFKAWCF-NRFANRHFSA-N 1 1 488.632 4.279 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001492546928 1066856051 /nfs/dbraw/zinc/85/60/51/1066856051.db2.gz IITNRSJNWDXLRX-FGZHOGPDSA-N 1 1 498.672 4.095 20 0 JIADMO O=C1NC2(CC[NH+](Cc3ccccc3Br)CC2)Nc2ccc(Br)cc21 ZINC001349633576 1066863611 /nfs/dbraw/zinc/86/36/11/1066863611.db2.gz RATIEEPMLXNGNA-UHFFFAOYSA-N 1 1 465.189 4.359 20 0 JIADMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)ccc2Cl)cc1Cl ZINC001318061711 1066878914 /nfs/dbraw/zinc/87/89/14/1066878914.db2.gz JEEZDLBPNOCMMD-GOSISDBHSA-N 1 1 482.433 4.413 20 0 JIADMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)ccc2Cl)cc1Cl ZINC001318061711 1066878922 /nfs/dbraw/zinc/87/89/22/1066878922.db2.gz JEEZDLBPNOCMMD-GOSISDBHSA-N 1 1 482.433 4.413 20 0 JIADMO O=C(CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318074239 1066885937 /nfs/dbraw/zinc/88/59/37/1066885937.db2.gz KPUZHQCDXFOFTI-IBGZPJMESA-N 1 1 469.561 4.001 20 0 JIADMO C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C2=O ZINC001349930487 1066897814 /nfs/dbraw/zinc/89/78/14/1066897814.db2.gz IMNYDMRUDGQABP-OALUTQOASA-N 1 1 454.615 4.136 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)C1 ZINC001318140902 1066920217 /nfs/dbraw/zinc/92/02/17/1066920217.db2.gz JCCGGVMVDJAKGC-AWEZNQCLSA-N 1 1 450.366 4.413 20 0 JIADMO COc1cccc(OCCC(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC001350123490 1066921029 /nfs/dbraw/zinc/92/10/29/1066921029.db2.gz MEZXPQVBJIIPOB-UHFFFAOYSA-N 1 1 459.590 4.421 20 0 JIADMO CC[C@@H](NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C)c1ccccc1OC(F)F ZINC001350131900 1066921572 /nfs/dbraw/zinc/92/15/72/1066921572.db2.gz JOVFUIDZAZDRFN-LJQANCHMSA-N 1 1 455.509 4.046 20 0 JIADMO COC(=O)c1ccc(F)c(NC(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC001350143133 1066923779 /nfs/dbraw/zinc/92/37/79/1066923779.db2.gz KKBLJZZVVMCZBN-UHFFFAOYSA-N 1 1 452.486 4.053 20 0 JIADMO O=C1Nc2ccccc2[C@H]1C1CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC001318168286 1066935772 /nfs/dbraw/zinc/93/57/72/1066935772.db2.gz KFUKEIDWVRXING-HXUWFJFHSA-N 1 1 453.340 4.447 20 0 JIADMO COc1cc(CNC(=O)C[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)ccc1OCc1ccccc1 ZINC001318172002 1066938032 /nfs/dbraw/zinc/93/80/32/1066938032.db2.gz QNZCVBHHODJUDO-GDLZYMKVSA-N 1 1 499.611 4.338 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](C)CC(=O)Nc3cccc(N4CCCC4)c3)CC2)cc1 ZINC001318176770 1066940583 /nfs/dbraw/zinc/94/05/83/1066940583.db2.gz SIOUIFANWIFKQB-HSZRJFAPSA-N 1 1 477.653 4.230 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)CC(=O)Nc3cccc(N4CCCC4)c3)CC2)cc1 ZINC001318176771 1066940712 /nfs/dbraw/zinc/94/07/12/1066940712.db2.gz SIOUIFANWIFKQB-QHCPKHFHSA-N 1 1 477.653 4.230 20 0 JIADMO CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001350389230 1066951332 /nfs/dbraw/zinc/95/13/32/1066951332.db2.gz OSBNPLVEIGXWFF-OALUTQOASA-N 1 1 459.612 4.178 20 0 JIADMO O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001318203336 1066956098 /nfs/dbraw/zinc/95/60/98/1066956098.db2.gz RICSLCPGMDNDLH-HSZRJFAPSA-N 1 1 488.554 4.228 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001318213815 1066962531 /nfs/dbraw/zinc/96/25/31/1066962531.db2.gz KIWBRISBWMLEGL-UHFFFAOYSA-N 1 1 481.547 4.318 20 0 JIADMO O=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001318217513 1066966013 /nfs/dbraw/zinc/96/60/13/1066966013.db2.gz VWFIMWCCCUOPIK-UHFFFAOYSA-N 1 1 472.614 4.204 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCOc3cc(Cl)ccc3Cl)cc2)C1 ZINC001318236086 1066976420 /nfs/dbraw/zinc/97/64/20/1066976420.db2.gz BIUFZMJJMYOFDR-MRXNPFEDSA-N 1 1 450.366 4.098 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)CCc3ncc(-c4ccccc4Br)o3)c2)CC1 ZINC001318278510 1066998581 /nfs/dbraw/zinc/99/85/81/1066998581.db2.gz KDLGOPZYJZXRPG-UHFFFAOYSA-N 1 1 497.437 4.101 20 0 JIADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC001350928986 1067022225 /nfs/dbraw/zinc/02/22/25/1067022225.db2.gz VTXDDJAFYRWNIS-ZJSXRUAMSA-N 1 1 457.640 4.204 20 0 JIADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nc(C)nc4scc(-c5ccccc5)c43)CC2)CC1 ZINC001318340075 1067023419 /nfs/dbraw/zinc/02/34/19/1067023419.db2.gz JLCYTAHEMWUPHB-UHFFFAOYSA-N 1 1 463.651 4.437 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CCn1cc[nH+]c1C ZINC001300686402 1067029010 /nfs/dbraw/zinc/02/90/10/1067029010.db2.gz GPZYGIPPLJDTQO-IRXDYDNUSA-N 1 1 458.657 4.114 20 0 JIADMO CC(C)(C)OC(=O)[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)Cc2ccccc21 ZINC001300687002 1067029912 /nfs/dbraw/zinc/02/99/12/1067029912.db2.gz IKQWYAMJUIFWCJ-GOTSBHOMSA-N 1 1 452.620 4.244 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3ncc(Cl)cc3Cl)c2C(F)(F)F)C1 ZINC001318386045 1067035787 /nfs/dbraw/zinc/03/57/87/1067035787.db2.gz DPOFEIPSUCCWKN-NSHDSACASA-N 1 1 450.292 4.055 20 0 JIADMO C[N@@H+](CCN(Cc1ccccc1)C(=O)/C=C/c1ccc2c(c1)NC(=O)CO2)Cc1ccccc1 ZINC001354673652 1067036421 /nfs/dbraw/zinc/03/64/21/1067036421.db2.gz FXPPKUDOSWMQMW-FYWRMAATSA-N 1 1 455.558 4.192 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)C2)ccn1 ZINC001351117156 1067047615 /nfs/dbraw/zinc/04/76/15/1067047615.db2.gz JFDROYWBKSPURP-HXUWFJFHSA-N 1 1 487.526 4.420 20 0 JIADMO C[C@H]1C[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001474724905 1067057979 /nfs/dbraw/zinc/05/79/79/1067057979.db2.gz ZLVZLVDHNFVDMU-IBGZPJMESA-N 1 1 458.578 4.061 20 0 JIADMO C[C@H]1C[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001474724905 1067057994 /nfs/dbraw/zinc/05/79/94/1067057994.db2.gz ZLVZLVDHNFVDMU-IBGZPJMESA-N 1 1 458.578 4.061 20 0 JIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC001318769585 1067059147 /nfs/dbraw/zinc/05/91/47/1067059147.db2.gz JXCNMRIBILSYHH-FQEVSTJZSA-N 1 1 458.628 4.288 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)c1 ZINC001351236093 1067062129 /nfs/dbraw/zinc/06/21/29/1067062129.db2.gz FHCVOQZTQNKCOL-JOCHJYFZSA-N 1 1 451.473 4.459 20 0 JIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)c1 ZINC001351236093 1067062146 /nfs/dbraw/zinc/06/21/46/1067062146.db2.gz FHCVOQZTQNKCOL-JOCHJYFZSA-N 1 1 451.473 4.459 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccn(-c3ccc(Br)cc3)n2)cc1F ZINC001351324436 1067076880 /nfs/dbraw/zinc/07/68/80/1067076880.db2.gz DOMCUCARKGGTHL-UHFFFAOYSA-N 1 1 454.303 4.198 20 0 JIADMO C[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1cc2c(cc1Br)OCCO2 ZINC001354775158 1067091512 /nfs/dbraw/zinc/09/15/12/1067091512.db2.gz ZKBGOEWPFNYGKQ-CWTRNNRKSA-N 1 1 453.764 4.354 20 0 JIADMO CN(C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)[C@H]1CCC[N@@H+](C)C1 ZINC001354791277 1067099793 /nfs/dbraw/zinc/09/97/93/1067099793.db2.gz IDDRZVNQHIKRFI-NSHDSACASA-N 1 1 451.827 4.043 20 0 JIADMO Cc1ccccc1COc1cccc(CC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC001351515643 1067114100 /nfs/dbraw/zinc/11/41/00/1067114100.db2.gz NQWJVGCGXGSHSJ-UHFFFAOYSA-N 1 1 457.574 4.143 20 0 JIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)CC1 ZINC001321472324 1067137847 /nfs/dbraw/zinc/13/78/47/1067137847.db2.gz RNZKLROSZOORQP-UHFFFAOYSA-N 1 1 458.562 4.024 20 0 JIADMO CN1C(=O)C[C@H](C(=O)NCc2ccccc2OCCC[N@@H+](C)C2CCCC2)[C@H]1c1cccc(F)c1 ZINC001354845277 1067184200 /nfs/dbraw/zinc/18/42/00/1067184200.db2.gz WGCBGJREVIVOBF-RPLLCQBOSA-N 1 1 481.612 4.305 20 0 JIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001354845147 1067184570 /nfs/dbraw/zinc/18/45/70/1067184570.db2.gz VOBMMZMWJFIWEB-NRFANRHFSA-N 1 1 454.571 4.171 20 0 JIADMO Cc1ccccc1Cc1nnc(N2C[C@H](C)OC(C)(C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492578902 1067190307 /nfs/dbraw/zinc/19/03/07/1067190307.db2.gz ALTPPYRIJCKRKN-BDTNDASRSA-N 1 1 469.674 4.069 20 0 JIADMO C[N@@H+](C1CC1)[C@H]1CCN(C(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200801891 1067205131 /nfs/dbraw/zinc/20/51/31/1067205131.db2.gz QGJUXUUESAOVGB-NSHDSACASA-N 1 1 451.203 4.216 20 0 JIADMO CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC001321765027 1067208658 /nfs/dbraw/zinc/20/86/58/1067208658.db2.gz UNPWYWKGPCBFGS-UHFFFAOYSA-N 1 1 492.645 4.018 20 0 JIADMO C[NH+](C)[C@H](CNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)c1ccccc1Cl ZINC001321979869 1067237013 /nfs/dbraw/zinc/23/70/13/1067237013.db2.gz XWSJUYQVOLOASO-LJQANCHMSA-N 1 1 452.967 4.109 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)C1 ZINC001322126770 1067254557 /nfs/dbraw/zinc/25/45/57/1067254557.db2.gz DVBKYRMMYVPCGL-KRWDZBQOSA-N 1 1 474.030 4.180 20 0 JIADMO CO[C@H]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300749182 1067265714 /nfs/dbraw/zinc/26/57/14/1067265714.db2.gz PDPARDGSWHJZKZ-FKBYEOEOSA-N 1 1 490.693 4.086 20 0 JIADMO Cc1cccc(C[NH+]2CCN(C(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)CC2)c1 ZINC001322306201 1067272868 /nfs/dbraw/zinc/27/28/68/1067272868.db2.gz DPFIRVZNELCGFR-UHFFFAOYSA-N 1 1 452.599 4.047 20 0 JIADMO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCn2cc[nH+]c2C)C1 ZINC001300753104 1067277408 /nfs/dbraw/zinc/27/74/08/1067277408.db2.gz GOUJFTPTKLOVJS-RBBKRZOGSA-N 1 1 452.603 4.245 20 0 JIADMO CCS(=O)(=O)Nc1cccc(C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC001322452527 1067296223 /nfs/dbraw/zinc/29/62/23/1067296223.db2.gz LJKPPLQYTYFJPQ-UHFFFAOYSA-N 1 1 483.556 4.204 20 0 JIADMO COCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001322510406 1067300066 /nfs/dbraw/zinc/30/00/66/1067300066.db2.gz YVWSRAQGMBPIJN-UHFFFAOYSA-N 1 1 474.565 4.012 20 0 JIADMO COC(=O)[C@@]1(NC(=S)Nc2c(C)cc(Cl)cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001200825128 1067302485 /nfs/dbraw/zinc/30/24/85/1067302485.db2.gz OBEUARDZTRDJNR-OAQYLSRUSA-N 1 1 452.407 4.406 20 0 JIADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)C[C@H](C)O1 ZINC001352172967 1067305465 /nfs/dbraw/zinc/30/54/65/1067305465.db2.gz DPVPRGYUBGQLSA-SVFBPWRDSA-N 1 1 453.668 4.102 20 0 JIADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)C[C@H](C)O1 ZINC001352172967 1067305475 /nfs/dbraw/zinc/30/54/75/1067305475.db2.gz DPVPRGYUBGQLSA-SVFBPWRDSA-N 1 1 453.668 4.102 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)CC2)cc1 ZINC001322770287 1067308825 /nfs/dbraw/zinc/30/88/25/1067308825.db2.gz UMQFZVFVYBPPFW-QFIPXVFZSA-N 1 1 485.575 4.183 20 0 JIADMO CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC001352236214 1067314152 /nfs/dbraw/zinc/31/41/52/1067314152.db2.gz CZJOPDWQDRFGJF-HXUWFJFHSA-N 1 1 459.594 4.119 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001300772010 1067321582 /nfs/dbraw/zinc/32/15/82/1067321582.db2.gz HNZUVECXDDOODZ-RPBOFIJWSA-N 1 1 499.700 4.127 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(OC)c1 ZINC001300000509 1067336702 /nfs/dbraw/zinc/33/67/02/1067336702.db2.gz GKQCOMCBIYGHSX-QGZVFWFLSA-N 1 1 469.552 4.329 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2Cc2ccc(Cl)s2)n1 ZINC001492497838 1067339749 /nfs/dbraw/zinc/33/97/49/1067339749.db2.gz KGFGZYGQFDUYSW-UHFFFAOYSA-N 1 1 475.062 4.206 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[N@@H+]1CC=CCC1 ZINC001492552917 1067340034 /nfs/dbraw/zinc/34/00/34/1067340034.db2.gz FNTWRFKSGDVMMI-BKMJKUGQSA-N 1 1 453.631 4.086 20 0 JIADMO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001355027889 1067345806 /nfs/dbraw/zinc/34/58/06/1067345806.db2.gz JEPWRUKAPKOINR-BJKOFHAPSA-N 1 1 472.589 4.036 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2CC[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300003413 1067347225 /nfs/dbraw/zinc/34/72/25/1067347225.db2.gz UBZFNHIMIQCRDS-SFHVURJKSA-N 1 1 485.032 4.379 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC3CC(F)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300005056 1067351341 /nfs/dbraw/zinc/35/13/41/1067351341.db2.gz CKPFBSQSOSMBSL-IRZJEQJZSA-N 1 1 459.610 4.267 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300006904 1067356770 /nfs/dbraw/zinc/35/67/70/1067356770.db2.gz VLDVEBAWVCVGMF-KDURUIRLSA-N 1 1 486.064 4.345 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC3CCOCC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300010629 1067363381 /nfs/dbraw/zinc/36/33/81/1067363381.db2.gz MNKRYGSGRQTLJH-HXUWFJFHSA-N 1 1 455.647 4.327 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H](c2cccnc2)C(C)C)cc1 ZINC001300012601 1067367236 /nfs/dbraw/zinc/36/72/36/1067367236.db2.gz CKMYHPAWLSETRC-VWLOTQADSA-N 1 1 492.668 4.336 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H](c2cccnc2)C(C)C)cc1 ZINC001300012601 1067367249 /nfs/dbraw/zinc/36/72/49/1067367249.db2.gz CKMYHPAWLSETRC-VWLOTQADSA-N 1 1 492.668 4.336 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2Cc2nc(C(C)C)cs2)cc1 ZINC001300013749 1067369392 /nfs/dbraw/zinc/36/93/92/1067369392.db2.gz SEMLVQHQVNHBHG-UHFFFAOYSA-N 1 1 484.670 4.129 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2Cc2nc(C(C)C)cs2)cc1 ZINC001300013749 1067369403 /nfs/dbraw/zinc/36/94/03/1067369403.db2.gz SEMLVQHQVNHBHG-UHFFFAOYSA-N 1 1 484.670 4.129 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC(C)C)cc1Br ZINC001300013849 1067369836 /nfs/dbraw/zinc/36/98/36/1067369836.db2.gz UNHJNHKRIBFUGM-HDICACEKSA-N 1 1 494.478 4.308 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CCC(C)C)cc1Br ZINC001300013849 1067369851 /nfs/dbraw/zinc/36/98/51/1067369851.db2.gz UNHJNHKRIBFUGM-HDICACEKSA-N 1 1 494.478 4.308 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc(-c2cccn2C)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001492554845 1067372684 /nfs/dbraw/zinc/37/26/84/1067372684.db2.gz XNLQNQNVFFKQQT-VXKWHMMOSA-N 1 1 450.631 4.290 20 0 JIADMO COc1ccc(-c2nnc(N3CC(C)(OC)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1Br ZINC001300021058 1067385050 /nfs/dbraw/zinc/38/50/50/1067385050.db2.gz ACKJDZGYKDKMCX-IBGZPJMESA-N 1 1 492.462 4.062 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300023002 1067390998 /nfs/dbraw/zinc/39/09/98/1067390998.db2.gz AYQKGTJEZTUJOM-PCCBWWKXSA-N 1 1 471.646 4.088 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC001300023555 1067392538 /nfs/dbraw/zinc/39/25/38/1067392538.db2.gz HLQBIFQQZWFOCR-ZCNNSNEGSA-N 1 1 473.687 4.413 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CC(C)(C)C(F)(F)F)c(OC)c1 ZINC001300027452 1067402894 /nfs/dbraw/zinc/40/28/94/1067402894.db2.gz OWXVJZGTJJCBLP-CVEARBPZSA-N 1 1 467.536 4.224 20 0 JIADMO COc1ccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1OC ZINC001300028867 1067408639 /nfs/dbraw/zinc/40/86/39/1067408639.db2.gz DINXNOVKVGQNJD-QHCPKHFHSA-N 1 1 498.716 4.108 20 0 JIADMO C[C@@H](CCNC(=O)c1cnn(Cc2ccccc2)c1Br)[N@@H+](C)Cc1ccccc1 ZINC001355309564 1067412526 /nfs/dbraw/zinc/41/25/26/1067412526.db2.gz HQMVTJBDPMAKFT-SFHVURJKSA-N 1 1 455.400 4.334 20 0 JIADMO 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 1067422989 /nfs/dbraw/zinc/42/29/89/1067422989.db2.gz ACIRUZMDPMXZQQ-XSDIEEQYSA-N 1 1 485.673 4.332 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(C(C)C)CC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC001300031834 1067424060 /nfs/dbraw/zinc/42/40/60/1067424060.db2.gz AIGQWNYWWSUQKZ-OYRHEFFESA-N 1 1 485.673 4.334 20 0 JIADMO COc1ccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300032859 1067428553 /nfs/dbraw/zinc/42/85/53/1067428553.db2.gz GHYLEVXVEJYPSN-MHECFPHRSA-N 1 1 495.590 4.215 20 0 JIADMO COc1ccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001300034407 1067436907 /nfs/dbraw/zinc/43/69/07/1067436907.db2.gz YENRVMLJNVRKMD-OAQYLSRUSA-N 1 1 468.690 4.100 20 0 JIADMO COc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300034814 1067438606 /nfs/dbraw/zinc/43/86/06/1067438606.db2.gz VFQBXKQSLRWORP-GGAORHGYSA-N 1 1 455.647 4.183 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300042085 1067477876 /nfs/dbraw/zinc/47/78/76/1067477876.db2.gz VOKPGNHIPNAWHA-GOSISDBHSA-N 1 1 463.573 4.320 20 0 JIADMO COc1ccc(-c2nnc(N3CCC=C(C)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300047785 1067501880 /nfs/dbraw/zinc/50/18/80/1067501880.db2.gz KFFRJOKSVRMRJH-OYRHEFFESA-N 1 1 453.631 4.487 20 0 JIADMO CCCCc1nc(-c2cccc(OC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c2)no1 ZINC001355542844 1067503841 /nfs/dbraw/zinc/50/38/41/1067503841.db2.gz BCOGQDPVTZMFHS-FCHUYYIVSA-N 1 1 451.571 4.232 20 0 JIADMO CCCCc1nc(-c2cccc(OC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)no1 ZINC001355542850 1067503916 /nfs/dbraw/zinc/50/39/16/1067503916.db2.gz BCOGQDPVTZMFHS-VXKWHMMOSA-N 1 1 451.571 4.232 20 0 JIADMO CC[C@@H](NC(=O)c1cc(F)c(Br)cc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355544243 1067505541 /nfs/dbraw/zinc/50/55/41/1067505541.db2.gz GBINDCFMUQDMKN-UXHICEINSA-N 1 1 453.327 4.137 20 0 JIADMO CC[C@@H](NC(=O)c1cc(F)c(Br)cc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355544243 1067505558 /nfs/dbraw/zinc/50/55/58/1067505558.db2.gz GBINDCFMUQDMKN-UXHICEINSA-N 1 1 453.327 4.137 20 0 JIADMO CC[C@@H](NC(=O)CN(Cc1ccccc1)c1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355546605 1067507300 /nfs/dbraw/zinc/50/73/00/1067507300.db2.gz SOTIYTRLLAKBTR-VSGBNLITSA-N 1 1 457.618 4.489 20 0 JIADMO CC[C@@H](NC(=O)CN(Cc1ccccc1)c1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355546605 1067507317 /nfs/dbraw/zinc/50/73/17/1067507317.db2.gz SOTIYTRLLAKBTR-VSGBNLITSA-N 1 1 457.618 4.489 20 0 JIADMO CC[C@@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355547882 1067508167 /nfs/dbraw/zinc/50/81/67/1067508167.db2.gz WYOLCBPBGQVJJN-MOPGFXCFSA-N 1 1 459.015 4.211 20 0 JIADMO CC[C@@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355547882 1067508181 /nfs/dbraw/zinc/50/81/81/1067508181.db2.gz WYOLCBPBGQVJJN-MOPGFXCFSA-N 1 1 459.015 4.211 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300050901 1067511223 /nfs/dbraw/zinc/51/12/23/1067511223.db2.gz VYBABHWIVJSLLR-LADGPHEKSA-N 1 1 455.647 4.183 20 0 JIADMO 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JIADMO COc1ccccc1-c1nnc(N2CCC(N(C)C(C)=O)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001300492778 1068859236 /nfs/dbraw/zinc/85/92/36/1068859236.db2.gz UWFUIUXJBNMSSS-OAQYLSRUSA-N 1 1 482.673 4.055 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001300499689 1068868119 /nfs/dbraw/zinc/86/81/19/1068868119.db2.gz TVGMSXXHKNCLLD-VQTJNVASSA-N 1 1 498.672 4.178 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CCC[N@@H+](C)C(C)C ZINC001300500135 1068868886 /nfs/dbraw/zinc/86/88/86/1068868886.db2.gz YPBGSKDLRCXJFR-OAQYLSRUSA-N 1 1 484.689 4.063 20 0 JIADMO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001300513767 1068894795 /nfs/dbraw/zinc/89/47/95/1068894795.db2.gz PXLWVNFCQFHRFX-AQNXPRMDSA-N 1 1 494.606 4.147 20 0 JIADMO C[C@H]1C[C@@H](N(C)C(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC[N@H+]1C ZINC001354119007 1068909539 /nfs/dbraw/zinc/90/95/39/1068909539.db2.gz XLKXGEWWQNEUOR-RDJZCZTQSA-N 1 1 456.637 4.238 20 0 JIADMO Cc1nn(-c2ccc(C(=O)N[C@@H](C)C[NH+]3CCN(c4ccccc4)CC3)cc2)c(C)c1Cl ZINC001354139438 1068927759 /nfs/dbraw/zinc/92/77/59/1068927759.db2.gz FIEGZVXDBILHRH-SFHVURJKSA-N 1 1 452.002 4.083 20 0 JIADMO Cc1cc(C)c(CC(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C)c1Br ZINC001354154660 1068935089 /nfs/dbraw/zinc/93/50/89/1068935089.db2.gz BWQCLOLFHFGLQY-KNQAVFIVSA-N 1 1 459.428 4.323 20 0 JIADMO Cc1cc(C)c(CC(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C)c1Br ZINC001354154660 1068935094 /nfs/dbraw/zinc/93/50/94/1068935094.db2.gz BWQCLOLFHFGLQY-KNQAVFIVSA-N 1 1 459.428 4.323 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)[C@H]2CCC[C@H](C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001300531338 1068943617 /nfs/dbraw/zinc/94/36/17/1068943617.db2.gz JQILYMHGLXIAJU-UNMCSNQZSA-N 1 1 455.647 4.003 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)[C@H]2CCC[C@H](C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001300531338 1068943628 /nfs/dbraw/zinc/94/36/28/1068943628.db2.gz JQILYMHGLXIAJU-UNMCSNQZSA-N 1 1 455.647 4.003 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001300531337 1068943948 /nfs/dbraw/zinc/94/39/48/1068943948.db2.gz JQILYMHGLXIAJU-RBBKRZOGSA-N 1 1 455.647 4.003 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001300531337 1068943957 /nfs/dbraw/zinc/94/39/57/1068943957.db2.gz JQILYMHGLXIAJU-RBBKRZOGSA-N 1 1 455.647 4.003 20 0 JIADMO 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 1068945442 /nfs/dbraw/zinc/94/54/42/1068945442.db2.gz YJKAUMZKLIBDIU-FUCAVZNHSA-N 1 1 499.700 4.484 20 0 JIADMO Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC001200584954 1068954636 /nfs/dbraw/zinc/95/46/36/1068954636.db2.gz XAJYEMCRQSWMMV-UHFFFAOYSA-N 1 1 475.033 4.426 20 0 JIADMO CC(C)(C)OC(=O)N1CC[NH+](C2CCN(C(=S)Nc3ccc(F)c(Cl)c3)CC2)CC1 ZINC001200587572 1068962969 /nfs/dbraw/zinc/96/29/69/1068962969.db2.gz YQRSRSUBFURNBR-UHFFFAOYSA-N 1 1 457.015 4.193 20 0 JIADMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)[C@@H]1c1cccs1 ZINC001354209674 1068979823 /nfs/dbraw/zinc/97/98/23/1068979823.db2.gz JRASPUUPFIORIT-FUPPJEDESA-N 1 1 455.624 4.439 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)[C@@H](C)C2CCCCC2)n1CCC[NH+]1CCOCC1 ZINC001300546281 1068983843 /nfs/dbraw/zinc/98/38/43/1068983843.db2.gz KQBGTUTYENMIAT-NRFANRHFSA-N 1 1 455.647 4.005 20 0 JIADMO COc1ccccc1Cc1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001300548514 1068991394 /nfs/dbraw/zinc/99/13/94/1068991394.db2.gz NPTYHACNCKRLMQ-WOJBJXKFSA-N 1 1 457.688 4.330 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001492586439 1069002947 /nfs/dbraw/zinc/00/29/47/1069002947.db2.gz HPFDXAYFVODOHT-QFIPXVFZSA-N 1 1 496.700 4.497 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC(C(C)C)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001300552694 1069003708 /nfs/dbraw/zinc/00/37/08/1069003708.db2.gz TVSRZBIVQGQOAN-JOCHJYFZSA-N 1 1 469.674 4.251 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001492587848 1069018921 /nfs/dbraw/zinc/01/89/21/1069018921.db2.gz CYYBPQPKYUFZME-NRFANRHFSA-N 1 1 465.564 4.209 20 0 JIADMO Cc1ccccc1-c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001492571764 1069020109 /nfs/dbraw/zinc/02/01/09/1069020109.db2.gz JCEKTHQOKKCEOQ-SFHLNBCPSA-N 1 1 465.564 4.389 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCC(C)(C)C ZINC001492587400 1069024065 /nfs/dbraw/zinc/02/40/65/1069024065.db2.gz OMZJDFNWGMQKIM-SANMLTNESA-N 1 1 496.744 4.235 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CCc1cccs1 ZINC001492587466 1069025558 /nfs/dbraw/zinc/02/55/58/1069025558.db2.gz QTFHHNADNSYQGC-UHFFFAOYSA-N 1 1 453.656 4.029 20 0 JIADMO Cc1ccccc1[C@H]1CCN(c2nnc(CC(C)C)n2CC2CCN(CC[NH+](C)C)CC2)C1 ZINC001492572640 1069042005 /nfs/dbraw/zinc/04/20/05/1069042005.db2.gz FLCJSPCRSGHJCJ-DEOSSOPVSA-N 1 1 452.691 4.053 20 0 JIADMO COC(=O)COc1c(C)cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)cc1C ZINC000849479853 1069049308 /nfs/dbraw/zinc/04/93/08/1069049308.db2.gz WRKIKSYBLMFWHS-RUZDIDTESA-N 1 1 455.599 4.061 20 0 JIADMO COC(=O)COc1c(C)cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)cc1C ZINC000849479853 1069049334 /nfs/dbraw/zinc/04/93/34/1069049334.db2.gz WRKIKSYBLMFWHS-RUZDIDTESA-N 1 1 455.599 4.061 20 0 JIADMO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccccc1OCc1ccc(Cl)cc1 ZINC001300565737 1069053551 /nfs/dbraw/zinc/05/35/51/1069053551.db2.gz AEGYIDHFUQPQFJ-HSZRJFAPSA-N 1 1 450.966 4.416 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cn1 ZINC000849487892 1069053948 /nfs/dbraw/zinc/05/39/48/1069053948.db2.gz AYLRZVHURWLSHM-IAGOWNOFSA-N 1 1 464.422 4.448 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849489744 1069057536 /nfs/dbraw/zinc/05/75/36/1069057536.db2.gz LCDKZXYCFLTDEU-RPWUZVMVSA-N 1 1 475.641 4.248 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1cccc(Br)n1 ZINC001300566953 1069059625 /nfs/dbraw/zinc/05/96/25/1069059625.db2.gz HKZWSZXCMDNOAY-UHFFFAOYSA-N 1 1 499.457 4.004 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC(C)(C)C(C)C ZINC001300566886 1069059679 /nfs/dbraw/zinc/05/96/79/1069059679.db2.gz GBZHLLPHWYRFSO-UHFFFAOYSA-N 1 1 479.673 4.006 20 0 JIADMO COc1cc(CN(C(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C2CC2)ccc1OC(F)F ZINC000849492444 1069062763 /nfs/dbraw/zinc/06/27/63/1069062763.db2.gz WZRUIGFZXCSCHO-LEWJYISDSA-N 1 1 476.568 4.035 20 0 JIADMO Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849494306 1069063710 /nfs/dbraw/zinc/06/37/10/1069063710.db2.gz SPBICADWPOJCPG-NOZRDPDXSA-N 1 1 473.621 4.111 20 0 JIADMO COc1ccc2[nH]cc(C3=CCN(C(=O)[C@@H]4CC[N@H+](C(C)C)C[C@H]4c4cnn(C)c4)CC3)c2c1 ZINC000849502181 1069074673 /nfs/dbraw/zinc/07/46/73/1069074673.db2.gz ZCRRYFOJUDGIJH-RDGATRHJSA-N 1 1 461.610 4.040 20 0 JIADMO 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 1069075834 /nfs/dbraw/zinc/07/58/34/1069075834.db2.gz AHTQDVCXVJSIJP-GRADPPADSA-N 1 1 479.669 4.299 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)[C@H](c2cnn(C)c2)C1 ZINC000849503362 1069077757 /nfs/dbraw/zinc/07/77/57/1069077757.db2.gz IEVJSEDJEWLGRM-UIOOFZCWSA-N 1 1 476.669 4.496 20 0 JIADMO COc1cc([C@H](C)NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OC1CCCC1 ZINC000849503482 1069079645 /nfs/dbraw/zinc/07/96/45/1069079645.db2.gz YFPXPUCXTXLGJG-IGKWTDBASA-N 1 1 468.642 4.441 20 0 JIADMO CCN(C(=O)Cc1ccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1)c1ccccc1 ZINC000849503872 1069083262 /nfs/dbraw/zinc/08/32/62/1069083262.db2.gz MDBKZBNKSKGBHX-RRPNLBNLSA-N 1 1 487.648 4.468 20 0 JIADMO Cc1nc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)sc1Cc1ccccc1F ZINC000849505153 1069085465 /nfs/dbraw/zinc/08/54/65/1069085465.db2.gz RSKOEPZZVDEURK-PMACEKPBSA-N 1 1 455.603 4.368 20 0 JIADMO COc1ccc2[nH]cc(C3CCN(C(=O)[C@@H]4CC[N@H+](C(C)C)C[C@H]4c4cnn(C)c4)CC3)c2c1 ZINC000849505900 1069086237 /nfs/dbraw/zinc/08/62/37/1069086237.db2.gz KEWJXFUNBDVHIE-RDGATRHJSA-N 1 1 463.626 4.130 20 0 JIADMO Cc1cccc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1C(=O)NCCc1ccccc1 ZINC000849510082 1069091895 /nfs/dbraw/zinc/09/18/95/1069091895.db2.gz GUVTXQLGTHESCL-JWQCQUIFSA-N 1 1 487.648 4.154 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849511331 1069093659 /nfs/dbraw/zinc/09/36/59/1069093659.db2.gz PHRHJGPZEXKKDH-FGZHOGPDSA-N 1 1 469.630 4.240 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)[C@@H](c2cnn(C)c2)C1 ZINC000849513855 1069098226 /nfs/dbraw/zinc/09/82/26/1069098226.db2.gz FGSZVNDOWJKEDO-DNQXCXABSA-N 1 1 467.589 4.119 20 0 JIADMO 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 1069099831 /nfs/dbraw/zinc/09/98/31/1069099831.db2.gz DWJZAPMFYFQYMT-NNMXDRDESA-N 1 1 465.425 4.141 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849516291 1069101741 /nfs/dbraw/zinc/10/17/41/1069101741.db2.gz HMMCAVRMGFXUSW-OPHFCASCSA-N 1 1 473.621 4.364 20 0 JIADMO Cc1ccc(COc2ccc(C[C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)cc2)cc1 ZINC000849516672 1069104319 /nfs/dbraw/zinc/10/43/19/1069104319.db2.gz LTRNWKUKTISSNM-PUUVEUEGSA-N 1 1 460.622 4.090 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849516674 1069104440 /nfs/dbraw/zinc/10/44/40/1069104440.db2.gz LURGGZKJGWYBKW-GOTSBHOMSA-N 1 1 456.594 4.426 20 0 JIADMO 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 1069104454 /nfs/dbraw/zinc/10/44/54/1069104454.db2.gz KUSYIKRKPNSURO-WOJBJXKFSA-N 1 1 471.602 4.228 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)cn1 ZINC000849517758 1069106579 /nfs/dbraw/zinc/10/65/79/1069106579.db2.gz VANWFBBMHDHOHJ-FGZHOGPDSA-N 1 1 473.459 4.280 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849521962 1069114933 /nfs/dbraw/zinc/11/49/33/1069114933.db2.gz IFPMAWSCANBABH-DQEYMECFSA-N 1 1 472.593 4.099 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849522070 1069115142 /nfs/dbraw/zinc/11/51/42/1069115142.db2.gz JGQDFEUQUYFTGN-DNQXCXABSA-N 1 1 460.578 4.196 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Oc2ccc(NC(=O)C3CCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849525381 1069117327 /nfs/dbraw/zinc/11/73/27/1069117327.db2.gz PMXGCGZCROFZTD-DNQXCXABSA-N 1 1 452.599 4.358 20 0 JIADMO COC(=O)c1cc(Oc2ccccc2)ccc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849524897 1069118066 /nfs/dbraw/zinc/11/80/66/1069118066.db2.gz KOXXWQMBKSGMMK-VWNXMTODSA-N 1 1 476.577 4.452 20 0 JIADMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)Nc2nnc(Cc3cccc(F)c3)s2)C[C@@H](C)O1 ZINC000504195513 1069118609 /nfs/dbraw/zinc/11/86/09/1069118609.db2.gz MSGOOHNZRHHHPS-IAGOWNOFSA-N 1 1 469.586 4.199 20 0 JIADMO C[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)c2ccc(C(C)(C)C)c(Cl)c2)CC1 ZINC001354338538 1069121889 /nfs/dbraw/zinc/12/18/89/1069121889.db2.gz ORVXOXTWLDMYHC-HSZRJFAPSA-N 1 1 454.014 4.373 20 0 JIADMO COc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001300582434 1069121929 /nfs/dbraw/zinc/12/19/29/1069121929.db2.gz ICPLRTBOOVGYSK-FDFHNCONSA-N 1 1 455.647 4.003 20 0 JIADMO CC/C(=C/C(=O)N1c2ccccc2CC[C@H]1C(=O)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC001354339551 1069123069 /nfs/dbraw/zinc/12/30/69/1069123069.db2.gz YAOMUMMJUIUJOX-WGHUORJYSA-N 1 1 451.998 4.255 20 0 JIADMO 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 1069123172 /nfs/dbraw/zinc/12/31/72/1069123172.db2.gz PVMDIEKPEPKSNG-PMACEKPBSA-N 1 1 460.022 4.007 20 0 JIADMO Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)ccc1Cl ZINC000849526931 1069124228 /nfs/dbraw/zinc/12/42/28/1069124228.db2.gz IOTZLFVVFULWJX-FGZHOGPDSA-N 1 1 477.012 4.454 20 0 JIADMO CCCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000849527951 1069127484 /nfs/dbraw/zinc/12/74/84/1069127484.db2.gz XXCGDVMRWMCEGE-NMVJMZGASA-N 1 1 467.564 4.157 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cn1 ZINC000849527987 1069128179 /nfs/dbraw/zinc/12/81/79/1069128179.db2.gz YFWDARLABRMMBH-JIMJEQGWSA-N 1 1 471.605 4.071 20 0 JIADMO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)Cc1ccc(Cl)cc1Cl ZINC000849534388 1069143598 /nfs/dbraw/zinc/14/35/98/1069143598.db2.gz IFWUHPVOQUCBLT-WMQCIHAUSA-N 1 1 451.442 4.393 20 0 JIADMO CC(C)Cn1cc([C@H]2N(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC23CCOCC3)cn1 ZINC000849534676 1069151717 /nfs/dbraw/zinc/15/17/17/1069151717.db2.gz LPSVKZRKFGISPU-ILBGXUMGSA-N 1 1 450.627 4.131 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)[C@H]3CCC[N@@H+](CCc4ccccc4)C3)CC23CCOCC3)cn1 ZINC000849543385 1069173526 /nfs/dbraw/zinc/17/35/26/1069173526.db2.gz RBCHDIJIOSBHIE-AHWVRZQESA-N 1 1 464.654 4.174 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)[C@@H]3CCC[N@@H+](CCc4ccccc4)C3)CC23CCOCC3)cn1 ZINC000849543388 1069174270 /nfs/dbraw/zinc/17/42/70/1069174270.db2.gz RBCHDIJIOSBHIE-RSXGOPAZSA-N 1 1 464.654 4.174 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849549096 1069186946 /nfs/dbraw/zinc/18/69/46/1069186946.db2.gz RNVMNQNFRXYNCV-KTYLLXISSA-N 1 1 478.662 4.322 20 0 JIADMO CN(Cc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)C(=O)c1cc2ccccc2o1 ZINC000849550467 1069189909 /nfs/dbraw/zinc/18/99/09/1069189909.db2.gz XQNPLDOWHAMGAV-DHIUTWEWSA-N 1 1 485.588 4.113 20 0 JIADMO Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849551352 1069190733 /nfs/dbraw/zinc/19/07/33/1069190733.db2.gz JBOPJKWPKHBSSP-LEWJYISDSA-N 1 1 460.557 4.095 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849549980 1069191116 /nfs/dbraw/zinc/19/11/16/1069191116.db2.gz XDKRAEVQIVCMAV-LEWJYISDSA-N 1 1 460.504 4.077 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)cn1 ZINC000849555255 1069199676 /nfs/dbraw/zinc/19/96/76/1069199676.db2.gz QNTNMEIHIISREW-VXKWHMMOSA-N 1 1 462.560 4.493 20 0 JIADMO COc1ccc(-c2ccc(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)s2)cc1 ZINC000849556689 1069204392 /nfs/dbraw/zinc/20/43/92/1069204392.db2.gz CZKNQWAASGBSCN-PKTZIBPZSA-N 1 1 452.624 4.288 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849557512 1069205588 /nfs/dbraw/zinc/20/55/88/1069205588.db2.gz IEVHHKVYUXGHJR-BJKOFHAPSA-N 1 1 451.615 4.392 20 0 JIADMO Cc1sc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)nc1-c1ccc(Br)cc1 ZINC000849562066 1069211902 /nfs/dbraw/zinc/21/19/02/1069211902.db2.gz JCUVFWZOKBNRLE-QZTJIDSGSA-N 1 1 474.428 4.289 20 0 JIADMO 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 1069215617 /nfs/dbraw/zinc/21/56/17/1069215617.db2.gz QJEZJUATRATDKE-BPQIPLTHSA-N 1 1 469.577 4.116 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849568482 1069219258 /nfs/dbraw/zinc/21/92/58/1069219258.db2.gz NQELCJVGDSRKAG-LEWJYISDSA-N 1 1 490.530 4.016 20 0 JIADMO CCOc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c2cccc(Cl)c2)cc1 ZINC000849567557 1069219726 /nfs/dbraw/zinc/21/97/26/1069219726.db2.gz HYDNGBSPMVSLRC-SDHSZQHLSA-N 1 1 467.013 4.413 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC001354433383 1069220051 /nfs/dbraw/zinc/22/00/51/1069220051.db2.gz SJHLXPATKTYXQA-MRXNPFEDSA-N 1 1 450.988 4.249 20 0 JIADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC001354433380 1069220106 /nfs/dbraw/zinc/22/01/06/1069220106.db2.gz SJHLXPATKTYXQA-INIZCTEOSA-N 1 1 450.988 4.249 20 0 JIADMO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849569795 1069221078 /nfs/dbraw/zinc/22/10/78/1069221078.db2.gz VTXJIIZDDFNISG-ZWKOTPCHSA-N 1 1 492.418 4.204 20 0 JIADMO Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849571370 1069221810 /nfs/dbraw/zinc/22/18/10/1069221810.db2.gz IEXGVCSDSHZVOL-ISKFKSNPSA-N 1 1 495.668 4.326 20 0 JIADMO CCn1c2ccc(Br)cc2nc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849571042 1069223168 /nfs/dbraw/zinc/22/31/68/1069223168.db2.gz GJQVBEXYQGDBRQ-MSOLQXFVSA-N 1 1 473.419 4.005 20 0 JIADMO CCn1c2cc(Br)ccc2nc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849572040 1069223855 /nfs/dbraw/zinc/22/38/55/1069223855.db2.gz MTKJTAHKJSXJGB-ROUUACIJSA-N 1 1 473.419 4.005 20 0 JIADMO 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 1069224207 /nfs/dbraw/zinc/22/42/07/1069224207.db2.gz QCCZQEMBJLMLNG-FHWLQOOXSA-N 1 1 474.474 4.255 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)[C@@H](c2cnn(C)c2)C1 ZINC000849574470 1069224383 /nfs/dbraw/zinc/22/43/83/1069224383.db2.gz WQOVOISBCRNTLA-VQTJNVASSA-N 1 1 460.504 4.077 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@@H]2OC)CC1 ZINC001300614566 1069225708 /nfs/dbraw/zinc/22/57/08/1069225708.db2.gz FFVFARGRPMBHJU-GMAHTHKFSA-N 1 1 455.647 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)[C@H](c2cnn(C)c2)C1 ZINC000849579256 1069229583 /nfs/dbraw/zinc/22/95/83/1069229583.db2.gz WLZOMTFUNZZDRT-UXHICEINSA-N 1 1 463.607 4.420 20 0 JIADMO 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 1069233447 /nfs/dbraw/zinc/23/34/47/1069233447.db2.gz CDMJTLPFIOROHK-TXPKVOOTSA-N 1 1 460.903 4.446 20 0 JIADMO CCc1c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cnn1-c1ccccc1Cl ZINC000849581601 1069234182 /nfs/dbraw/zinc/23/41/82/1069234182.db2.gz IAQQMOWKJNKTAE-RTBURBONSA-N 1 1 455.006 4.274 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849583087 1069234208 /nfs/dbraw/zinc/23/42/08/1069234208.db2.gz RKFKMVATNWZABY-PCCBWWKXSA-N 1 1 478.468 4.326 20 0 JIADMO CCCC[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849587872 1069239778 /nfs/dbraw/zinc/23/97/78/1069239778.db2.gz VSPQJOXISBFTLH-XJUOHMSHSA-N 1 1 461.448 4.440 20 0 JIADMO 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 1069239850 /nfs/dbraw/zinc/23/98/50/1069239850.db2.gz JSEZZJDQGZEARD-IFMALSPDSA-N 1 1 474.049 4.397 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001492576243 1069241224 /nfs/dbraw/zinc/24/12/24/1069241224.db2.gz MIVGXHUBGJDZQN-DEOSSOPVSA-N 1 1 480.701 4.325 20 0 JIADMO COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c2)c1 ZINC000849593495 1069244591 /nfs/dbraw/zinc/24/45/91/1069244591.db2.gz UJPZTPJDRHZAER-KAYWLYCHSA-N 1 1 492.620 4.360 20 0 JIADMO CCOc1cc(Br)c(F)cc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849594314 1069245343 /nfs/dbraw/zinc/24/53/43/1069245343.db2.gz GFYQPLWYEAHPLI-JKSUJKDBSA-N 1 1 467.383 4.173 20 0 JIADMO 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 1069249898 /nfs/dbraw/zinc/24/98/98/1069249898.db2.gz KWQSIBKHGPDFIL-IRFCIJBXSA-N 1 1 450.549 4.248 20 0 JIADMO 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 1069251889 /nfs/dbraw/zinc/25/18/89/1069251889.db2.gz SSOIGLKCBXFSTL-BVSLBCMMSA-N 1 1 497.640 4.221 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC2(c3ccccc3Br)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849597908 1069254148 /nfs/dbraw/zinc/25/41/48/1069254148.db2.gz WSVADFQDCATJIE-VQTJNVASSA-N 1 1 473.459 4.235 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@H](c3cccc(Br)c3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849600325 1069256304 /nfs/dbraw/zinc/25/63/04/1069256304.db2.gz PXZQRYNBWZDAPY-NYVOZVTQSA-N 1 1 459.432 4.013 20 0 JIADMO 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 1069256366 /nfs/dbraw/zinc/25/63/66/1069256366.db2.gz LSKRCFDQYYGXOC-GOTSBHOMSA-N 1 1 469.630 4.240 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)cn1 ZINC000849601470 1069257507 /nfs/dbraw/zinc/25/75/07/1069257507.db2.gz KSBQQNFDRDUTLP-ZEQRLZLVSA-N 1 1 481.641 4.209 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849604589 1069261350 /nfs/dbraw/zinc/26/13/50/1069261350.db2.gz DHSAHHZBMOVFMJ-FCHUYYIVSA-N 1 1 478.559 4.371 20 0 JIADMO 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 1069262831 /nfs/dbraw/zinc/26/28/31/1069262831.db2.gz NFKCOJNNCHNXPI-XZOQPEGZSA-N 1 1 469.630 4.206 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Br)c3ncccc23)[C@H](c2cnn(C)c2)C1 ZINC000849609533 1069265908 /nfs/dbraw/zinc/26/59/08/1069265908.db2.gz CJKFHJMHMXZGGB-AEFFLSMTSA-N 1 1 456.388 4.183 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC2(Cc3ccc(Br)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849611334 1069269282 /nfs/dbraw/zinc/26/92/82/1069269282.db2.gz WOSWVCDAHNLVPX-FGZHOGPDSA-N 1 1 473.459 4.136 20 0 JIADMO 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 1069270545 /nfs/dbraw/zinc/27/05/45/1069270545.db2.gz QSBZVPCTHUWJAH-RJGXRXQPSA-N 1 1 459.034 4.266 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)[C@H](c2cnn(C)c2)C1 ZINC000849610760 1069271523 /nfs/dbraw/zinc/27/15/23/1069271523.db2.gz OACJSXUBKQXXSF-MJGOQNOKSA-N 1 1 459.566 4.198 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)[C@H](c2cnn(C)c2)C1 ZINC000849613142 1069274210 /nfs/dbraw/zinc/27/42/10/1069274210.db2.gz PFJFBRYHANAZGJ-SJORKVTESA-N 1 1 489.443 4.154 20 0 JIADMO Fc1ccc(NC(=S)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc1F ZINC001200691415 1069298304 /nfs/dbraw/zinc/29/83/04/1069298304.db2.gz XEDYUXUWNGYSGY-NBGIEHNGSA-N 1 1 472.605 4.307 20 0 JIADMO Cc1ccccc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCC[C@H]1C ZINC001492591620 1069305133 /nfs/dbraw/zinc/30/51/33/1069305133.db2.gz JIMJZOZPKHAOPO-GOSISDBHSA-N 1 1 471.447 4.475 20 0 JIADMO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625231 719076912 /nfs/dbraw/zinc/07/69/12/719076912.db2.gz NACHKPUZDHRSEH-HSALFYBXSA-N 1 1 452.990 4.280 20 0 JIADMO Cc1noc([C@@H]2C[C@H]3CCN(c4nc(C[NH+]5CCC(C)CC5)nc5sc6c(c54)CCC6)C[C@H]3O2)n1 ZINC001164656372 719300542 /nfs/dbraw/zinc/30/05/42/719300542.db2.gz WOUKEUNSWZDWAF-YZGWKJHDSA-N 1 1 494.665 4.460 20 0 JIADMO Cc1noc([C@@H]2C[C@H]3CCN(c4nc(C[NH+]5CCCCC5)nc5sc(C)c(C)c54)C[C@H]3O2)n1 ZINC001164649860 719300579 /nfs/dbraw/zinc/30/05/79/719300579.db2.gz HVATVTCDHJAQOV-CEXWTWQISA-N 1 1 468.627 4.342 20 0 JIADMO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)n2)CC1 ZINC001164666455 719443153 /nfs/dbraw/zinc/44/31/53/719443153.db2.gz CMAYNKQELQGTJI-RTBURBONSA-N 1 1 469.680 4.171 20 0 JIADMO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)n2)CC1 ZINC001164666454 719444382 /nfs/dbraw/zinc/44/43/82/719444382.db2.gz CMAYNKQELQGTJI-RBUKOAKNSA-N 1 1 469.680 4.171 20 0 JIADMO COc1cc2c(cc1Cl)ncnc2N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164674455 719509421 /nfs/dbraw/zinc/50/94/21/719509421.db2.gz XRUZINPFZSPBEO-UHFFFAOYSA-N 1 1 456.949 4.302 20 0 JIADMO COc1cc2c(cc1Cl)ncnc2N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164674455 719509426 /nfs/dbraw/zinc/50/94/26/719509426.db2.gz XRUZINPFZSPBEO-UHFFFAOYSA-N 1 1 456.949 4.302 20 0 JIADMO COC(=O)c1cc2c(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)[nH]c(Cl)cc-2n1 ZINC001164673405 719517156 /nfs/dbraw/zinc/51/71/56/719517156.db2.gz SHQONQDQTJQKIA-UHFFFAOYSA-N 1 1 472.948 4.013 20 0 JIADMO COC(=O)c1cc2c(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)[nH]c(Cl)cc-2n1 ZINC001164673405 719517169 /nfs/dbraw/zinc/51/71/69/719517169.db2.gz SHQONQDQTJQKIA-UHFFFAOYSA-N 1 1 472.948 4.013 20 0 JIADMO Cc1nc(CN2C(=O)CCC23CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC3)cs1 ZINC001164688629 719593315 /nfs/dbraw/zinc/59/33/15/719593315.db2.gz YTNWEOFJJBVSEO-UHFFFAOYSA-N 1 1 460.047 4.257 20 0 JIADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)CC2 ZINC001164683859 719715447 /nfs/dbraw/zinc/71/54/47/719715447.db2.gz LJJQLGCCHSVWNF-UHFFFAOYSA-N 1 1 457.352 4.267 20 0 JIADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164691959 719809870 /nfs/dbraw/zinc/80/98/70/719809870.db2.gz BYJGFQUPVJMJOX-UHFFFAOYSA-N 1 1 470.426 4.360 20 0 JIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(-c4ccc(N5CCOCC5)cc4)nn2)CC3)cs1 ZINC001164693107 719815718 /nfs/dbraw/zinc/81/57/18/719815718.db2.gz UTHHAJQRSZMAOL-UHFFFAOYSA-N 1 1 490.677 4.380 20 0 JIADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001164706664 719862484 /nfs/dbraw/zinc/86/24/84/719862484.db2.gz YHSNVCBYQOAQHC-BXKMTCNYSA-N 1 1 487.025 4.244 20 0 JIADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001164706724 719868771 /nfs/dbraw/zinc/86/87/71/719868771.db2.gz QJEPITUGTNKTRC-CPJLOUKISA-N 1 1 498.674 4.141 20 0 JIADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C2CC2)nc2scc(-c3ccccc3)c21 ZINC001164701725 719872774 /nfs/dbraw/zinc/87/27/74/719872774.db2.gz GXNVEKPETVURLB-NFQMXDRXSA-N 1 1 492.645 4.468 20 0 JIADMO O=C(c1cc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1)N1CCCCC1 ZINC001164695298 719888422 /nfs/dbraw/zinc/88/84/22/719888422.db2.gz MGIXENFRFCEJKC-UHFFFAOYSA-N 1 1 475.058 4.294 20 0 JIADMO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696193 719894474 /nfs/dbraw/zinc/89/44/74/719894474.db2.gz BFVLTMNYSDJAPL-UHFFFAOYSA-N 1 1 465.957 4.156 20 0 JIADMO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164699169 719894800 /nfs/dbraw/zinc/89/48/00/719894800.db2.gz XVOLLIDAEWNPND-UHFFFAOYSA-N 1 1 463.047 4.196 20 0 JIADMO O=C(OCc1ccccc1)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164705898 719899498 /nfs/dbraw/zinc/89/94/98/719899498.db2.gz FMRSYPXJQRGQQR-UHFFFAOYSA-N 1 1 463.603 4.372 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccc(OC)cc31)CC2 ZINC001164710060 720094199 /nfs/dbraw/zinc/09/41/99/720094199.db2.gz GLZRTJLOAJIJKV-LJQANCHMSA-N 1 1 468.001 4.194 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccc(OC)cc31)CC2 ZINC001164710059 720094650 /nfs/dbraw/zinc/09/46/50/720094650.db2.gz GLZRTJLOAJIJKV-IBGZPJMESA-N 1 1 468.001 4.194 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)CC2 ZINC001164710632 720098912 /nfs/dbraw/zinc/09/89/12/720098912.db2.gz KIRMUNBWSJTPLP-INIZCTEOSA-N 1 1 472.367 4.231 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(SC)nc3ccsc31)CC2 ZINC001164715535 720113925 /nfs/dbraw/zinc/11/39/25/720113925.db2.gz HMLLIRTWMOWYQH-SFHVURJKSA-N 1 1 455.653 4.316 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)Nc3ccc(Cl)nc3)ccc1F)C2 ZINC001164812611 720116255 /nfs/dbraw/zinc/11/62/55/720116255.db2.gz PJEXWCCTTDMBGA-CLOONOSVSA-N 1 1 472.992 4.311 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(Cl)c(OC)cc31)CC2 ZINC001164715516 720119121 /nfs/dbraw/zinc/11/91/21/720119121.db2.gz GWVLFROSIZSPMZ-IBGZPJMESA-N 1 1 468.001 4.194 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)CC2 ZINC001164718107 720122997 /nfs/dbraw/zinc/12/29/97/720122997.db2.gz RTEVWRVHAILNAG-FQEVSTJZSA-N 1 1 486.060 4.166 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C)cc(Cl)n1)CC2 ZINC001164716095 720124427 /nfs/dbraw/zinc/12/44/27/720124427.db2.gz IUZPPHOQZWZVPT-LJQANCHMSA-N 1 1 450.961 4.491 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)CC2 ZINC001164712714 720145299 /nfs/dbraw/zinc/14/52/99/720145299.db2.gz OOZYVKSMIZTRBM-QHCPKHFHSA-N 1 1 498.071 4.310 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OCc3ccccc3)cn1)CC2 ZINC001164712077 720146329 /nfs/dbraw/zinc/14/63/29/720146329.db2.gz KKWOOJXUXVYUIQ-AREMUKBSSA-N 1 1 486.616 4.341 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(Oc3ccc(F)cc3)n1)CC2 ZINC001164711242 720147159 /nfs/dbraw/zinc/14/71/59/720147159.db2.gz GJNXHNUKYBHJDD-QFIPXVFZSA-N 1 1 463.557 4.311 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3sc(C)nc3C)nn1)CC2 ZINC001164714402 720151539 /nfs/dbraw/zinc/15/15/39/720151539.db2.gz XDBVXROORZUURJ-NRFANRHFSA-N 1 1 464.639 4.119 20 0 JIADMO CCc1nc(Cl)nc(Cl)c1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164711357 720155204 /nfs/dbraw/zinc/15/52/04/720155204.db2.gz BDMYHOGCUXUJQL-KRWDZBQOSA-N 1 1 450.414 4.248 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)C2 ZINC001164816632 720188694 /nfs/dbraw/zinc/18/86/94/720188694.db2.gz LXLJXYVFESXHNS-CUBQBAPOSA-N 1 1 461.654 4.319 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3ccnc(Cl)c3c1)CCC2 ZINC001164814080 720219841 /nfs/dbraw/zinc/21/98/41/720219841.db2.gz SEACFUKWCKYZAQ-UHFFFAOYSA-N 1 1 461.944 4.240 20 0 JIADMO O=C(NCc1cccs1)c1cc(F)c(Cl)nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728320 720407137 /nfs/dbraw/zinc/40/71/37/720407137.db2.gz SYHYWXJMECPMPI-PMACEKPBSA-N 1 1 471.989 4.114 20 0 JIADMO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164826218 720424934 /nfs/dbraw/zinc/42/49/34/720424934.db2.gz OUJIVOCWCHIWNZ-NJDAHSKKSA-N 1 1 493.677 4.033 20 0 JIADMO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724099 720475161 /nfs/dbraw/zinc/47/51/61/720475161.db2.gz DVOUPDZNUKWACP-RTWAWAEBSA-N 1 1 487.938 4.382 20 0 JIADMO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724099 720475166 /nfs/dbraw/zinc/47/51/66/720475166.db2.gz DVOUPDZNUKWACP-RTWAWAEBSA-N 1 1 487.938 4.382 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838476 720518104 /nfs/dbraw/zinc/51/81/04/720518104.db2.gz RIOVFRFOGFVMFZ-PLMTUMEDSA-N 1 1 460.960 4.402 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1Cl ZINC001164841321 720522078 /nfs/dbraw/zinc/52/20/78/720522078.db2.gz YHHRERDSIAWJJX-XYJFISCASA-N 1 1 466.413 4.139 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3ncn4Cc3ccccc3)CC[C@@H]21 ZINC001164835216 720524239 /nfs/dbraw/zinc/52/42/39/720524239.db2.gz JCNSFUHOJCKSQP-FKBYEOEOSA-N 1 1 491.043 4.102 20 0 JIADMO CC(C)[N@H+]1[C@@H]2CCN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835778 720526245 /nfs/dbraw/zinc/52/62/45/720526245.db2.gz LGZUMXHOTGQIIO-UNCTUWKVSA-N 1 1 470.665 4.214 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835778 720526249 /nfs/dbraw/zinc/52/62/49/720526249.db2.gz LGZUMXHOTGQIIO-UNCTUWKVSA-N 1 1 470.665 4.214 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)CC[C@@H]21 ZINC001164834655 720536795 /nfs/dbraw/zinc/53/67/95/720536795.db2.gz FOICHAZWSFZKBO-MDKPJZGXSA-N 1 1 460.960 4.402 20 0 JIADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839002 720537233 /nfs/dbraw/zinc/53/72/33/720537233.db2.gz PMAHWZFSGUYHDV-LVCYWYKZSA-N 1 1 483.016 4.034 20 0 JIADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164842695 720599794 /nfs/dbraw/zinc/59/97/94/720599794.db2.gz VFYNZXLDRZPIHN-HSALFYBXSA-N 1 1 482.654 4.059 20 0 JIADMO 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 720616909 /nfs/dbraw/zinc/61/69/09/720616909.db2.gz WKMWKEBSVQYEDJ-BJLQDIEVSA-N 1 1 487.986 4.311 20 0 JIADMO COc1ccc(Oc2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc(C)n2)cc1 ZINC001164837228 720633568 /nfs/dbraw/zinc/63/35/68/720633568.db2.gz HRXGCGGTJZXOEB-AWRGLXIESA-N 1 1 462.598 4.160 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843598 720636217 /nfs/dbraw/zinc/63/62/17/720636217.db2.gz YKKWCGBFYUSHJO-SVFBPWRDSA-N 1 1 460.022 4.265 20 0 JIADMO 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 720637021 /nfs/dbraw/zinc/63/70/21/720637021.db2.gz YKKWCGBFYUSHJO-DYXWJJEUSA-N 1 1 460.022 4.265 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cncc(OCc4cccc(Cl)c4)n3)CC[C@@H]21 ZINC001164840150 720638066 /nfs/dbraw/zinc/63/80/66/720638066.db2.gz PDOJPPKSGXHBIX-PMVMPFDFSA-N 1 1 467.017 4.283 20 0 JIADMO CN(C)c1ccc(-c2ccnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)n2)cc1 ZINC001164840385 720704724 /nfs/dbraw/zinc/70/47/24/720704724.db2.gz QGEOKPOVSSTEJJ-RUZDIDTESA-N 1 1 457.622 4.470 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001164837669 720713673 /nfs/dbraw/zinc/71/36/73/720713673.db2.gz GCPRMLACCFUQTP-GOSISDBHSA-N 1 1 462.972 4.424 20 0 JIADMO Clc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164745379 720758042 /nfs/dbraw/zinc/75/80/42/720758042.db2.gz VIJJCIARLVMBSO-ZWKOTPCHSA-N 1 1 464.982 4.144 20 0 JIADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164737459 720781161 /nfs/dbraw/zinc/78/11/61/720781161.db2.gz BTODHSZFQGOKBE-UXHICEINSA-N 1 1 456.575 4.004 20 0 JIADMO c1csc(-c2csc3ncnc(N4CC[C@@H]5[C@@H](C[C@@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)c23)c1 ZINC001164746780 720819703 /nfs/dbraw/zinc/81/97/03/720819703.db2.gz ZDCOMNZRRWJMND-CMKODMSKSA-N 1 1 477.663 4.391 20 0 JIADMO Fc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H](C[C@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c23)cc1 ZINC001164749304 720845534 /nfs/dbraw/zinc/84/55/34/720845534.db2.gz VPUKJXHRITWMSQ-KJXAQDMKSA-N 1 1 489.624 4.468 20 0 JIADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164743886 720854904 /nfs/dbraw/zinc/85/49/04/720854904.db2.gz ARZGMJFUVSVLHP-XDIPAPSNSA-N 1 1 498.679 4.105 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc(-c4ccc(-c5ccccc5)cc4)n3)CC[C@H]2C1 ZINC001164853500 720856049 /nfs/dbraw/zinc/85/60/49/720856049.db2.gz GVHOGRASFALCQI-GOTSBHOMSA-N 1 1 480.012 4.033 20 0 JIADMO Clc1cc(C2CCCCC2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164753047 720857500 /nfs/dbraw/zinc/85/75/00/720857500.db2.gz VOPBEMOALAZERA-KCZVDYSFSA-N 1 1 456.038 4.149 20 0 JIADMO Fc1ccc(F)c2c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc(Cl)nc12 ZINC001164750396 720859640 /nfs/dbraw/zinc/85/96/40/720859640.db2.gz PQPATYOAYSITCE-JTDSTZFVSA-N 1 1 458.944 4.137 20 0 JIADMO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164749630 720861050 /nfs/dbraw/zinc/86/10/50/720861050.db2.gz NWOHBITYNPDTJA-SLYNCCJLSA-N 1 1 462.976 4.128 20 0 JIADMO COc1ccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164749024 720868812 /nfs/dbraw/zinc/86/88/12/720868812.db2.gz GGNXCVGBHIHBJH-IDISGSTGSA-N 1 1 494.039 4.442 20 0 JIADMO FC(F)(c1cccc(Cl)n1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755776 720870547 /nfs/dbraw/zinc/87/05/47/720870547.db2.gz YXHYLCFHQNUGED-NZQKXSOJSA-N 1 1 462.972 4.430 20 0 JIADMO FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752380 720874669 /nfs/dbraw/zinc/87/46/69/720874669.db2.gz MSIULSNFHFYHDO-GCJKJVERSA-N 1 1 498.405 4.478 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4cc(-c5ccc(Cl)cc5)sc43)CC[C@H]2C1 ZINC001164862959 720875471 /nfs/dbraw/zinc/87/54/71/720875471.db2.gz SEJXIPWBOJSZQE-PXNSSMCTSA-N 1 1 459.015 4.185 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4cccs4)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164858327 720876436 /nfs/dbraw/zinc/87/64/36/720876436.db2.gz KRWFAKQBCNTUIF-WMZOPIPTSA-N 1 1 470.664 4.082 20 0 JIADMO Clc1ccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755480 720877712 /nfs/dbraw/zinc/87/77/12/720877712.db2.gz XOWVJBHPSFADGT-RLWLMLJZSA-N 1 1 464.013 4.433 20 0 JIADMO Clc1cccc2c1ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750100 720878816 /nfs/dbraw/zinc/87/88/16/720878816.db2.gz ITJKOGBQNBZLCT-HFZDXXHNSA-N 1 1 464.013 4.433 20 0 JIADMO COc1cccc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164753002 720880254 /nfs/dbraw/zinc/88/02/54/720880254.db2.gz OGEQSJUNRXHQQF-CUBQBAPOSA-N 1 1 458.606 4.394 20 0 JIADMO Clc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2c(n1)CCC2 ZINC001164751686 720880991 /nfs/dbraw/zinc/88/09/91/720880991.db2.gz LXNHDDCVBHZWOW-QFQXNSOFSA-N 1 1 453.030 4.374 20 0 JIADMO COc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164753220 720883070 /nfs/dbraw/zinc/88/30/70/720883070.db2.gz GDEQKFUBUPHRJN-UFHPHHKVSA-N 1 1 458.606 4.394 20 0 JIADMO Clc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cnc2c1 ZINC001164757492 720884137 /nfs/dbraw/zinc/88/41/37/720884137.db2.gz VETTWNJGPQRGLB-LVXARBLLSA-N 1 1 464.013 4.433 20 0 JIADMO Clc1cnc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164753500 720886086 /nfs/dbraw/zinc/88/60/86/720886086.db2.gz HDAVLHCEMNQWIR-GJZUVCINSA-N 1 1 464.013 4.433 20 0 JIADMO Clc1nnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2c1CCCC2 ZINC001164758196 720886394 /nfs/dbraw/zinc/88/63/94/720886394.db2.gz XOENGIHWLLFDKR-LVXARBLLSA-N 1 1 468.045 4.159 20 0 JIADMO c1ccc(COc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164751812 720888992 /nfs/dbraw/zinc/88/89/92/720888992.db2.gz DTKMUWXCYXQVBZ-WNJJXGMVSA-N 1 1 485.632 4.206 20 0 JIADMO COc1cc2c(cc1Cl)ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756272 720891254 /nfs/dbraw/zinc/89/12/54/720891254.db2.gz OZWJJKOXNQDKSM-JIPXPUAJSA-N 1 1 494.039 4.442 20 0 JIADMO Clc1ccc(CN2CCCC2)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757482 720894449 /nfs/dbraw/zinc/89/44/49/720894449.db2.gz VDASGNZTEFDHRS-NAKRPHOHSA-N 1 1 496.099 4.481 20 0 JIADMO COc1ccc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164755406 720895718 /nfs/dbraw/zinc/89/57/18/720895718.db2.gz LWDKWXRLLYJKTN-YWEHKCAJSA-N 1 1 458.606 4.394 20 0 JIADMO CN(C)c1ccc(-c2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164753986 720902301 /nfs/dbraw/zinc/90/23/01/720902301.db2.gz IBLCTOLUHGCRJF-FREGXXQWSA-N 1 1 498.675 4.360 20 0 JIADMO COc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(C)nc2c1 ZINC001164748418 720918767 /nfs/dbraw/zinc/91/87/67/720918767.db2.gz GACOEYGHJLUDBZ-NEKDWFFYSA-N 1 1 473.621 4.097 20 0 JIADMO COc1cc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc2cc1OC ZINC001164752073 720919485 /nfs/dbraw/zinc/91/94/85/720919485.db2.gz NAPBWHROHOZRSC-IRPSRAIASA-N 1 1 488.632 4.402 20 0 JIADMO Cc1nc(C)c(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)s1 ZINC001164750081 720926663 /nfs/dbraw/zinc/92/66/63/720926663.db2.gz JAZGFTHSABRVEM-KCWPFWIISA-N 1 1 490.677 4.367 20 0 JIADMO c1ccc(Oc2nccnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc1 ZINC001164747788 720928172 /nfs/dbraw/zinc/92/81/72/720928172.db2.gz DIHFTZSMOJONQO-YWEHKCAJSA-N 1 1 471.605 4.419 20 0 JIADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(COC4CCC4)cn2)C3)c1 ZINC001164752142 720929036 /nfs/dbraw/zinc/92/90/36/720929036.db2.gz NHEUPNGHRKMJEV-LBNVMWSVSA-N 1 1 462.638 4.301 20 0 JIADMO CC(C)c1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747841 720931751 /nfs/dbraw/zinc/93/17/51/720931751.db2.gz DMXRNRHPUALKKI-OFVILXPXSA-N 1 1 456.034 4.404 20 0 JIADMO COc1cc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c(OC)c1 ZINC001164749994 720932692 /nfs/dbraw/zinc/93/26/92/720932692.db2.gz IRCXSRXRYGVUFT-MUAVYFROSA-N 1 1 488.632 4.402 20 0 JIADMO COc1cc(C)c2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755075 720940659 /nfs/dbraw/zinc/94/06/59/720940659.db2.gz YDHKPHZTNMNZRX-QDPGVEIFSA-N 1 1 473.621 4.097 20 0 JIADMO c1ncn2c1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C[C@@H](COCC1CC1)C2 ZINC001164757558 720979383 /nfs/dbraw/zinc/97/93/83/720979383.db2.gz OXOKAMWXTLXKES-HXUWFJFHSA-N 1 1 492.693 4.425 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@@H]3CC(=O)N4Cc3cccc(C)n3)c2c1C ZINC001164773566 721054894 /nfs/dbraw/zinc/05/48/94/721054894.db2.gz SERQYEGKGWGALU-YADHBBJMSA-N 1 1 490.677 4.377 20 0 JIADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164868929 721067181 /nfs/dbraw/zinc/06/71/81/721067181.db2.gz RGOZJAUNARFNJE-LADGPHEKSA-N 1 1 485.563 4.319 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4nc(Cl)c5cc(Cl)ccc5n4)C[C@@H]3C2)cn1 ZINC001164763627 721093951 /nfs/dbraw/zinc/09/39/51/721093951.db2.gz GHNPOFBULHDOPR-CABCVRRESA-N 1 1 467.351 4.173 20 0 JIADMO Clc1cc(OCc2ccccc2)cnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880926 721127999 /nfs/dbraw/zinc/12/79/99/721127999.db2.gz XPCUXYFPTBDBEQ-JTHBVZDNSA-N 1 1 450.970 4.189 20 0 JIADMO c1ccc(Cc2nnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c3ccccc23)cc1 ZINC001164871618 721136519 /nfs/dbraw/zinc/13/65/19/721136519.db2.gz FYHVGZYPQOOGBK-DNQXCXABSA-N 1 1 451.574 4.095 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)c(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164771321 721142108 /nfs/dbraw/zinc/14/21/08/721142108.db2.gz SAAVVMUXXYQOBN-LSDHHAIUSA-N 1 1 467.351 4.173 20 0 JIADMO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164762745 721167267 /nfs/dbraw/zinc/16/72/67/721167267.db2.gz DPERARMCLWTUCJ-OALUTQOASA-N 1 1 498.002 4.410 20 0 JIADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164867817 721184565 /nfs/dbraw/zinc/18/45/65/721184565.db2.gz IIGAFUISFNTZTA-IRLDBZIGSA-N 1 1 465.985 4.359 20 0 JIADMO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879857 721184976 /nfs/dbraw/zinc/18/49/76/721184976.db2.gz URHGMWAASVJZPO-PMACEKPBSA-N 1 1 451.958 4.105 20 0 JIADMO Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164881187 721185147 /nfs/dbraw/zinc/18/51/47/721185147.db2.gz ZOAVBJJRCJAPIN-CTNGQTDRSA-N 1 1 451.958 4.105 20 0 JIADMO CSCc1nc2sc3c(c2c(N2C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C2)n1)CCCC3 ZINC001164770093 721202600 /nfs/dbraw/zinc/20/26/00/721202600.db2.gz MZMDVYIMDNBOKG-QZTJIDSGSA-N 1 1 468.696 4.125 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CC[C@@H]5O[C@H](COc6cccnc6)CC[C@@H]54)ccc3C2)cc1 ZINC001164879721 721247703 /nfs/dbraw/zinc/24/77/03/721247703.db2.gz YDNJAJYCQSBQHX-URORMMCBSA-N 1 1 456.590 4.240 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(-c5ccc(F)cc5)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164759777 721247714 /nfs/dbraw/zinc/24/77/14/721247714.db2.gz BQZVATRJFIWLCR-ROUUACIJSA-N 1 1 476.934 4.173 20 0 JIADMO Cc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164879698 721288056 /nfs/dbraw/zinc/28/80/56/721288056.db2.gz ZQNBPNYLTGBHJT-UHFFFAOYSA-N 1 1 499.659 4.126 20 0 JIADMO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164775071 721302263 /nfs/dbraw/zinc/30/22/63/721302263.db2.gz NZSOPZBJRBIYME-UHFFFAOYSA-N 1 1 450.917 4.056 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(CC(N(C)C)=NO5)CC4)c23)C1 ZINC001164878103 721326673 /nfs/dbraw/zinc/32/66/73/721326673.db2.gz YOEWXXUOUOSGQJ-QGZVFWFLSA-N 1 1 468.671 4.046 20 0 JIADMO COc1ccc2nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c(C)cc2c1 ZINC001164778427 721332420 /nfs/dbraw/zinc/33/24/20/721332420.db2.gz WGGWMPVBNSGEPW-SANMLTNESA-N 1 1 450.583 4.276 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)n3)C2)C1 ZINC001164778872 721333855 /nfs/dbraw/zinc/33/38/55/721333855.db2.gz ZPIYBYRELFMLLQ-IBGZPJMESA-N 1 1 476.355 4.052 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)n3)C2)C1 ZINC001164778872 721333860 /nfs/dbraw/zinc/33/38/60/721333860.db2.gz ZPIYBYRELFMLLQ-IBGZPJMESA-N 1 1 476.355 4.052 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4cccc(F)c43)C2)C1 ZINC001164776223 721344807 /nfs/dbraw/zinc/34/48/07/721344807.db2.gz ALYIWDRDGRRUAE-QHCPKHFHSA-N 1 1 459.953 4.146 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164779956 721359389 /nfs/dbraw/zinc/35/93/89/721359389.db2.gz BIJOMIZDIGLTQH-RUZDIDTESA-N 1 1 467.545 4.132 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cncc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164779956 721359396 /nfs/dbraw/zinc/35/93/96/721359396.db2.gz BIJOMIZDIGLTQH-RUZDIDTESA-N 1 1 467.545 4.132 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccn4)nc4ccccc43)C2)C1 ZINC001164785308 721366492 /nfs/dbraw/zinc/36/64/92/721366492.db2.gz UIMHHGLWSIUXFO-NDEPHWFRSA-N 1 1 484.604 4.416 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccncc4)nc4sccc43)C2)C1 ZINC001164780300 721372127 /nfs/dbraw/zinc/37/21/27/721372127.db2.gz FUVVCLZTNVJMEZ-SANMLTNESA-N 1 1 490.633 4.477 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C)c(-c4ccccc4F)n3)C2)C1 ZINC001164780687 721374765 /nfs/dbraw/zinc/37/47/65/721374765.db2.gz ICEWNXASMSUEBE-AREMUKBSSA-N 1 1 465.573 4.315 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C)c(-c4ccccc4F)n3)C2)C1 ZINC001164780687 721374773 /nfs/dbraw/zinc/37/47/73/721374773.db2.gz ICEWNXASMSUEBE-AREMUKBSSA-N 1 1 465.573 4.315 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)n1 ZINC001164885017 721377438 /nfs/dbraw/zinc/37/74/38/721377438.db2.gz BOIOYYHNILWBKA-RUZDIDTESA-N 1 1 499.706 4.204 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5cc(Cl)c(Cl)cc5nc4Cl)C3)O2)CC1 ZINC001164894444 721398480 /nfs/dbraw/zinc/39/84/80/721398480.db2.gz YBQXNFZACRDESC-OYHNWAKOSA-N 1 1 484.859 4.355 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C3)O2)CC1 ZINC001164890544 721398616 /nfs/dbraw/zinc/39/86/16/721398616.db2.gz NZNFYJOOPUIXAF-YJYMSZOUSA-N 1 1 468.256 4.461 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C3)O2)CC1 ZINC001164889439 721405132 /nfs/dbraw/zinc/40/51/32/721405132.db2.gz QNIDVQILSHVVLL-REWPJTCUSA-N 1 1 464.988 4.199 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cccc5ccnc(Cl)c54)C3)O2)CC1 ZINC001164885723 721419825 /nfs/dbraw/zinc/41/98/25/721419825.db2.gz HBUMESHUSXEVER-XXBNENTESA-N 1 1 464.988 4.199 20 0 JIADMO c1csc(C[NH+]2C[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)C[C@@H]3C2)n1 ZINC001164786771 721426434 /nfs/dbraw/zinc/42/64/34/721426434.db2.gz PKEPSNUCDCTXPZ-IRXDYDNUSA-N 1 1 460.632 4.267 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(OCc5ccccc5)cc4Cl)C3)O2)CC1 ZINC001164894894 721428323 /nfs/dbraw/zinc/42/83/23/721428323.db2.gz MZRGFCJQTSIDEZ-GJZUVCINSA-N 1 1 471.045 4.079 20 0 JIADMO c1csc(C[NH+]2C[C@@H]3CN(c4nc(-c5cnccn5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164783990 721431999 /nfs/dbraw/zinc/43/19/99/721431999.db2.gz KDFGREZXFIYKFI-HZPDHXFCSA-N 1 1 475.647 4.052 20 0 JIADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164787374 721432930 /nfs/dbraw/zinc/43/29/30/721432930.db2.gz QMTNNCXIFIQSAA-RTBURBONSA-N 1 1 476.675 4.445 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nnc(-c5ccc(F)cc5)c5ccccc54)C3)O2)CC1 ZINC001164897761 721434952 /nfs/dbraw/zinc/43/49/52/721434952.db2.gz UPQLJUHTADVLHZ-QDPGVEIFSA-N 1 1 475.612 4.201 20 0 JIADMO Cc1sc2ncnc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1-c1ccccc1 ZINC001164893832 721435008 /nfs/dbraw/zinc/43/50/08/721435008.db2.gz KVLNIVIJBSRLFS-AJTFRIOCSA-N 1 1 477.678 4.432 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C3)O2)CC1 ZINC001164898795 721441983 /nfs/dbraw/zinc/44/19/83/721441983.db2.gz XHFAUPOCWRZORY-NZQKXSOJSA-N 1 1 464.988 4.199 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncn(C)c3[C@@H]2COCc2cccnc2)nc1 ZINC001164781540 721442447 /nfs/dbraw/zinc/44/24/47/721442447.db2.gz GEFSVPJSLOMCFP-RPBOFIJWSA-N 1 1 460.626 4.468 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001164783249 721450762 /nfs/dbraw/zinc/45/07/62/721450762.db2.gz ATMIXWSMOSUOKB-MRXNPFEDSA-N 1 1 479.399 4.062 20 0 JIADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc1 ZINC001164890333 721451032 /nfs/dbraw/zinc/45/10/32/721451032.db2.gz QXNBJDUZVGNMDJ-GJZUVCINSA-N 1 1 486.060 4.250 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)CC2 ZINC001164786018 721451939 /nfs/dbraw/zinc/45/19/39/721451939.db2.gz MANDNBAMPOZRJP-MRXNPFEDSA-N 1 1 479.399 4.062 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Oc3ccccc3)ncn1)CC2 ZINC001164785258 721454085 /nfs/dbraw/zinc/45/40/85/721454085.db2.gz HXRGFRLITJPICR-JOCHJYFZSA-N 1 1 452.599 4.003 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3cc(C)ccc31)CC2 ZINC001164786662 721460051 /nfs/dbraw/zinc/46/00/51/721460051.db2.gz PBMCXXVBSIILPI-FQEVSTJZSA-N 1 1 459.034 4.326 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164782753 721464092 /nfs/dbraw/zinc/46/40/92/721464092.db2.gz BJDQLJAXQJOKQB-QFIPXVFZSA-N 1 1 470.589 4.142 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164782751 721464112 /nfs/dbraw/zinc/46/41/12/721464112.db2.gz BJDQLJAXQJOKQB-JOCHJYFZSA-N 1 1 470.589 4.142 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(C)C)nc(Cl)c1C)CC2 ZINC001164788807 721471657 /nfs/dbraw/zinc/47/16/57/721471657.db2.gz LHJXIXCFPUSNQK-FQEVSTJZSA-N 1 1 451.055 4.296 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(-c3ccc(F)cc3)n1)CC2 ZINC001164790679 721471734 /nfs/dbraw/zinc/47/17/34/721471734.db2.gz USSMZDGDDOFBLW-QHCPKHFHSA-N 1 1 454.590 4.017 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCC[C@@]34CC(=O)N(Cc3cccnc3)C4)c2c1C ZINC001164891142 721475693 /nfs/dbraw/zinc/47/56/93/721475693.db2.gz BFMBIFJHAMEHBM-MHZLTWQESA-N 1 1 490.677 4.461 20 0 JIADMO CC[C@H]1C(=O)Nc2cnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc2N1C1CCCC1 ZINC001164792493 721495171 /nfs/dbraw/zinc/49/51/71/721495171.db2.gz PTSUTTZQLDIMAU-DEOSSOPVSA-N 1 1 489.668 4.232 20 0 JIADMO COC(=O)c1cc2c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)[nH]c(Cl)cc-2n1 ZINC001164795464 721498139 /nfs/dbraw/zinc/49/81/39/721498139.db2.gz HXVFDSVVSIOFAS-UHFFFAOYSA-N 1 1 453.974 4.279 20 0 JIADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796672 721500357 /nfs/dbraw/zinc/50/03/57/721500357.db2.gz VBSVSQAUTTYDRJ-UHFFFAOYSA-N 1 1 464.944 4.343 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CCC(=O)N4Cc4ccncc4)CC3)c2c1C ZINC001164899157 721506570 /nfs/dbraw/zinc/50/65/70/721506570.db2.gz KOXQRHFYMYYTIQ-UHFFFAOYSA-N 1 1 490.677 4.461 20 0 JIADMO Fc1cccc(Cn2ccc3c2ncnc3N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164907745 721537930 /nfs/dbraw/zinc/53/79/30/721537930.db2.gz OGUWFGPJWMBRLE-GMAHTHKFSA-N 1 1 461.516 4.100 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ncc(Cl)nc3c2)[C@H]2CCCO[C@@H]12 ZINC001164809579 721538410 /nfs/dbraw/zinc/53/84/10/721538410.db2.gz VLRDZIATIRGSTD-TUNNFDKTSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ncc(Cl)nc3c2)[C@H]2CCCO[C@@H]12 ZINC001164809579 721538413 /nfs/dbraw/zinc/53/84/13/721538413.db2.gz VLRDZIATIRGSTD-TUNNFDKTSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc3ccsc3c(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164804517 721539442 /nfs/dbraw/zinc/53/94/42/721539442.db2.gz KCIIWGKIVYUMCE-GVDBMIGSSA-N 1 1 465.957 4.153 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc3ccsc3c(Cl)n2)[C@H]2CCCO[C@@H]12 ZINC001164804517 721539444 /nfs/dbraw/zinc/53/94/44/721539444.db2.gz KCIIWGKIVYUMCE-GVDBMIGSSA-N 1 1 465.957 4.153 20 0 JIADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909877 721566142 /nfs/dbraw/zinc/56/61/42/721566142.db2.gz VBILYIBXBXNJQO-IEBWSBKVSA-N 1 1 470.932 4.412 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164802236 721575054 /nfs/dbraw/zinc/57/50/54/721575054.db2.gz HSLIUPVWYVNVTQ-WOIUINJBSA-N 1 1 486.954 4.000 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164802236 721575056 /nfs/dbraw/zinc/57/50/56/721575056.db2.gz HSLIUPVWYVNVTQ-WOIUINJBSA-N 1 1 486.954 4.000 20 0 JIADMO COc1ccc2nc(C(F)(F)N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc(Cl)c2c1 ZINC001164802618 721581327 /nfs/dbraw/zinc/58/13/27/721581327.db2.gz HEPGXIRTOOKSFM-PCCBWWKXSA-N 1 1 489.954 4.100 20 0 JIADMO COc1ccc2nc(C(F)(F)N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc(Cl)c2c1 ZINC001164802618 721581328 /nfs/dbraw/zinc/58/13/28/721581328.db2.gz HEPGXIRTOOKSFM-PCCBWWKXSA-N 1 1 489.954 4.100 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3nc(-c4cccs4)no3)ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164811874 721585138 /nfs/dbraw/zinc/58/51/38/721585138.db2.gz YTVGEGJJJQTEBQ-TXTKFYIRSA-N 1 1 474.590 4.123 20 0 JIADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904899 721585419 /nfs/dbraw/zinc/58/54/19/721585419.db2.gz HNMLENJFOLFZNZ-JOCHJYFZSA-N 1 1 464.944 4.353 20 0 JIADMO FC(F)(c1nc(Cl)cc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905435 721586018 /nfs/dbraw/zinc/58/60/18/721586018.db2.gz JDXBTJKLJNDLMV-QGZVFWFLSA-N 1 1 464.294 4.461 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccc(Cl)cc32)[C@H]2CCCO[C@H]12 ZINC001164799231 721587760 /nfs/dbraw/zinc/58/77/60/721587760.db2.gz AAGYFDUGYUIRKZ-ZCNNSNEGSA-N 1 1 459.928 4.484 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccc(Cl)cc32)[C@H]2CCCO[C@H]12 ZINC001164799231 721587762 /nfs/dbraw/zinc/58/77/62/721587762.db2.gz AAGYFDUGYUIRKZ-ZCNNSNEGSA-N 1 1 459.928 4.484 20 0 JIADMO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164805212 721589879 /nfs/dbraw/zinc/58/98/79/721589879.db2.gz KYMZUQXKRPMFOD-AKIFATBCSA-N 1 1 465.985 4.494 20 0 JIADMO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164805212 721589882 /nfs/dbraw/zinc/58/98/82/721589882.db2.gz KYMZUQXKRPMFOD-AKIFATBCSA-N 1 1 465.985 4.494 20 0 JIADMO COc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc1 ZINC001164805199 721590123 /nfs/dbraw/zinc/59/01/23/721590123.db2.gz KXEYDSOZGDBTFX-PUHATCMVSA-N 1 1 481.984 4.194 20 0 JIADMO COc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc1 ZINC001164805199 721590125 /nfs/dbraw/zinc/59/01/25/721590125.db2.gz KXEYDSOZGDBTFX-PUHATCMVSA-N 1 1 481.984 4.194 20 0 JIADMO COc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc1 ZINC001164805190 721590243 /nfs/dbraw/zinc/59/02/43/721590243.db2.gz KXEYDSOZGDBTFX-ACIOBRDBSA-N 1 1 481.984 4.194 20 0 JIADMO COc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc1 ZINC001164805190 721590245 /nfs/dbraw/zinc/59/02/45/721590245.db2.gz KXEYDSOZGDBTFX-ACIOBRDBSA-N 1 1 481.984 4.194 20 0 JIADMO c1nc(COCC2CC2)c2n1CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164801180 721600110 /nfs/dbraw/zinc/60/01/10/721600110.db2.gz OGHGLZHYDHKRGZ-UHFFFAOYSA-N 1 1 478.666 4.309 20 0 JIADMO FC1(F)CCN(c2nccnc2C2SCCCS2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907940 721696287 /nfs/dbraw/zinc/69/62/87/721696287.db2.gz WYTMQPBBHRJTNA-NRFANRHFSA-N 1 1 463.623 4.478 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)n1 ZINC001164907844 721701896 /nfs/dbraw/zinc/70/18/96/721701896.db2.gz VDGGTARLDMJXES-FQEVSTJZSA-N 1 1 486.897 4.199 20 0 JIADMO COc1cccc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904954 721703000 /nfs/dbraw/zinc/70/30/00/721703000.db2.gz FWHPPMVCAWJNLP-JOCHJYFZSA-N 1 1 459.928 4.425 20 0 JIADMO CCOC(=O)c1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164905620 721718392 /nfs/dbraw/zinc/71/83/92/721718392.db2.gz IBTQOILOVAIWSN-OAQYLSRUSA-N 1 1 450.917 4.044 20 0 JIADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164906639 721721023 /nfs/dbraw/zinc/72/10/23/721721023.db2.gz NLOJOODNSVLIOM-HXUWFJFHSA-N 1 1 486.897 4.199 20 0 JIADMO COc1cc2cnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cc2cc1OC ZINC001164913850 721727361 /nfs/dbraw/zinc/72/73/61/721727361.db2.gz YYDVNOUBDPTILY-DEOSSOPVSA-N 1 1 454.521 4.385 20 0 JIADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)CC1 ZINC001165012242 721750976 /nfs/dbraw/zinc/75/09/76/721750976.db2.gz DHODJEAXXUCRFT-UHFFFAOYSA-N 1 1 481.950 4.004 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001164910953 721761662 /nfs/dbraw/zinc/76/16/62/721761662.db2.gz MEZHQANMQHVLRE-UHFFFAOYSA-N 1 1 459.928 4.346 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001164910953 721761667 /nfs/dbraw/zinc/76/16/67/721761667.db2.gz MEZHQANMQHVLRE-UHFFFAOYSA-N 1 1 459.928 4.346 20 0 JIADMO COc1ccc(OC)c(-c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nn2)c1 ZINC001164909636 721763029 /nfs/dbraw/zinc/76/30/29/721763029.db2.gz DUERNAJUHXGIKY-UHFFFAOYSA-N 1 1 471.561 4.344 20 0 JIADMO COc1ccc(OC)c(-c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nn2)c1 ZINC001164909636 721763034 /nfs/dbraw/zinc/76/30/34/721763034.db2.gz DUERNAJUHXGIKY-UHFFFAOYSA-N 1 1 471.561 4.344 20 0 JIADMO O=C1[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]2CN1c1cccnc1 ZINC001165018349 721791940 /nfs/dbraw/zinc/79/19/40/721791940.db2.gz IBTSXAFKVMUUHW-RXVVDRJESA-N 1 1 488.661 4.050 20 0 JIADMO CCOC(=O)c1sc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1C ZINC001165027724 721799897 /nfs/dbraw/zinc/79/98/97/721799897.db2.gz XONWILIWWYTTMY-DFQSSKMNSA-N 1 1 465.623 4.308 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165020383 721806031 /nfs/dbraw/zinc/80/60/31/721806031.db2.gz FLYAWYHCFGIKGT-KFKAGJAMSA-N 1 1 464.944 4.198 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@]4(C[C@@H](Oc5cccnc5)CO4)C3)c2c1C ZINC001164914576 721806994 /nfs/dbraw/zinc/80/69/94/721806994.db2.gz DHTKKZJOIVQBPO-CJFMBICVSA-N 1 1 465.623 4.116 20 0 JIADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024909 721809221 /nfs/dbraw/zinc/80/92/21/721809221.db2.gz LBVUPJWJFIZHRC-ZAAXVRCTSA-N 1 1 464.944 4.198 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3ncn4[C@H]3CCCCO3)C[C@@H]21 ZINC001165026214 721811404 /nfs/dbraw/zinc/81/14/04/721811404.db2.gz PNSLRNHIUPPEFR-GFOJFJKKSA-N 1 1 482.032 4.311 20 0 JIADMO COc1cc2nc(Cl)c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2cc1OC ZINC001165023543 721813140 /nfs/dbraw/zinc/81/31/40/721813140.db2.gz HTUCCMBMYOITSY-DJPFJPOOSA-N 1 1 468.001 4.432 20 0 JIADMO 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 721815286 /nfs/dbraw/zinc/81/52/86/721815286.db2.gz PMYVOPFLYVBJFM-DZFGPLHGSA-N 1 1 456.034 4.395 20 0 JIADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165019919 721819524 /nfs/dbraw/zinc/81/95/24/721819524.db2.gz CBZFTBAXXRQUDC-PMWMKWCKSA-N 1 1 472.637 4.148 20 0 JIADMO 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 721819532 /nfs/dbraw/zinc/81/95/32/721819532.db2.gz CJDAMXOUYSGEPS-XZDHIHRUSA-N 1 1 495.668 4.490 20 0 JIADMO 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 721822185 /nfs/dbraw/zinc/82/21/85/721822185.db2.gz ZGHHJNUWVKZBII-YFVAEKQCSA-N 1 1 477.613 4.437 20 0 JIADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025334 721823578 /nfs/dbraw/zinc/82/35/78/721823578.db2.gz MSRKGRWTJPHWCO-CVAIRZPRSA-N 1 1 464.944 4.198 20 0 JIADMO COc1ccc(C(F)(F)N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1Cl ZINC001165023073 721841667 /nfs/dbraw/zinc/84/16/67/721841667.db2.gz WXORPLSJXPINOW-UHFFFAOYSA-N 1 1 455.933 4.407 20 0 JIADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)n2)cc1 ZINC001164927415 721868067 /nfs/dbraw/zinc/86/80/67/721868067.db2.gz VEQUWFALXLWKLH-PKTZIBPZSA-N 1 1 452.002 4.173 20 0 JIADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)n2)cc1 ZINC001164927415 721868069 /nfs/dbraw/zinc/86/80/69/721868069.db2.gz VEQUWFALXLWKLH-PKTZIBPZSA-N 1 1 452.002 4.173 20 0 JIADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@H](Cc3ccccc3)C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165037182 721900014 /nfs/dbraw/zinc/90/00/14/721900014.db2.gz KUCABRYEPSPFBR-PKTZIBPZSA-N 1 1 464.654 4.340 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c(Cl)n1 ZINC001164941010 721926197 /nfs/dbraw/zinc/92/61/97/721926197.db2.gz YSIUDCMNWWCOIO-UHFFFAOYSA-N 1 1 479.955 4.246 20 0 JIADMO CCOC(=O)c1cc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2s1 ZINC001164940749 721928905 /nfs/dbraw/zinc/92/89/05/721928905.db2.gz ZZKOYNMFXWHKGU-UHFFFAOYSA-N 1 1 466.607 4.048 20 0 JIADMO COc1ccc(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)nn2)c(OC)c1 ZINC001164940259 721931895 /nfs/dbraw/zinc/93/18/95/721931895.db2.gz UKUOYSZXKQTZDG-UHFFFAOYSA-N 1 1 474.605 4.341 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCN(c4nnc(C(F)(F)F)s4)CC3)c2c1C ZINC001165051902 721999570 /nfs/dbraw/zinc/99/95/70/721999570.db2.gz JESGNELQXILCCY-UHFFFAOYSA-N 1 1 497.616 4.491 20 0 JIADMO Cc1nc(Cn2c(=O)ccc3c2CCN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)CC3)cs1 ZINC001164951041 722006993 /nfs/dbraw/zinc/00/69/93/722006993.db2.gz GDBQZVKFJAIKTL-UHFFFAOYSA-N 1 1 497.668 4.220 20 0 JIADMO CCOC(=O)c1ccc(C(F)(F)N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(Cl)n1 ZINC001164956237 722021291 /nfs/dbraw/zinc/02/12/91/722021291.db2.gz ZOXSYKSQRSMWSM-UHFFFAOYSA-N 1 1 464.944 4.344 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5[C@@H](CCN5C(=O)c5ccco5)C4)c32)C1 ZINC001164960323 722048262 /nfs/dbraw/zinc/04/82/62/722048262.db2.gz VADJBXHOBOVAGE-HBFSDRIKSA-N 1 1 491.661 4.356 20 0 JIADMO Clc1cnc2cc(Cl)c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)cc2n1 ZINC001164963092 722055026 /nfs/dbraw/zinc/05/50/26/722055026.db2.gz HBHJQTCDZWYTEO-UHFFFAOYSA-N 1 1 458.393 4.451 20 0 JIADMO Fc1cc2nc(Cl)c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2cc1F ZINC001164962194 722055284 /nfs/dbraw/zinc/05/52/84/722055284.db2.gz BEANLTSOCLHVRK-UHFFFAOYSA-N 1 1 459.928 4.075 20 0 JIADMO c1ccc(-c2nc3ccccc3c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n2)nc1 ZINC001164961768 722059689 /nfs/dbraw/zinc/05/96/89/722059689.db2.gz PCNXUMWJKJXABC-UHFFFAOYSA-N 1 1 466.589 4.206 20 0 JIADMO FC(F)(Oc1ccc(Cl)nc1Cl)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966705 722062008 /nfs/dbraw/zinc/06/20/08/722062008.db2.gz XALVKASIMZSAAM-UHFFFAOYSA-N 1 1 473.351 4.327 20 0 JIADMO FC(F)(N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2)C1(c2ccnc(Cl)c2)CC1 ZINC001164965911 722062487 /nfs/dbraw/zinc/06/24/87/722062487.db2.gz MFVQOHYALFZRGV-UHFFFAOYSA-N 1 1 462.972 4.369 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3c4ccccc4N(S(C)(=O)=O)C[C@@H]3C2)n1 ZINC001164976774 722090650 /nfs/dbraw/zinc/09/06/50/722090650.db2.gz SKZKRCIJOMMRRK-AZUAARDMSA-N 1 1 499.706 4.150 20 0 JIADMO c1ccc(-c2nc3ccccc3c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164975117 722110955 /nfs/dbraw/zinc/11/09/55/722110955.db2.gz JSMQHQUQMONWQW-OZXSUGGESA-N 1 1 451.574 4.419 20 0 JIADMO c1ccc(-c2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc3ccccc32)cc1 ZINC001164982550 722114413 /nfs/dbraw/zinc/11/44/13/722114413.db2.gz XEFILISJBJVRDC-BVAGGSTKSA-N 1 1 451.574 4.419 20 0 JIADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164978941 722141457 /nfs/dbraw/zinc/14/14/57/722141457.db2.gz LCLCFRBCERBWMZ-XZOQPEGZSA-N 1 1 494.709 4.272 20 0 JIADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164978939 722141682 /nfs/dbraw/zinc/14/16/82/722141682.db2.gz LCLCFRBCERBWMZ-GOTSBHOMSA-N 1 1 494.709 4.272 20 0 JIADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978901 722150089 /nfs/dbraw/zinc/15/00/89/722150089.db2.gz KOHXENJTABIESO-REWPJTCUSA-N 1 1 485.966 4.464 20 0 JIADMO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973813 722152853 /nfs/dbraw/zinc/15/28/53/722152853.db2.gz MGIGTCHWXTXMRX-DOTOQJQBSA-N 1 1 476.877 4.421 20 0 JIADMO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)CC[C@@H]32)cs1 ZINC001164986259 722179349 /nfs/dbraw/zinc/17/93/49/722179349.db2.gz JNGDPPTZFIIQKW-RRPNLBNLSA-N 1 1 489.689 4.275 20 0 JIADMO CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)CC2 ZINC001164987852 722187639 /nfs/dbraw/zinc/18/76/39/722187639.db2.gz BNSIOUPOWJOTBC-HXUWFJFHSA-N 1 1 487.714 4.251 20 0 JIADMO COC(=O)c1ccc2nc(Cl)c(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2c1 ZINC001164993971 722192869 /nfs/dbraw/zinc/19/28/69/722192869.db2.gz KBCAFNLWABEKSA-DEOSSOPVSA-N 1 1 454.933 4.454 20 0 JIADMO COC(=O)c1ccc2nc(Cl)c(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2c1 ZINC001164993971 722192870 /nfs/dbraw/zinc/19/28/70/722192870.db2.gz KBCAFNLWABEKSA-DEOSSOPVSA-N 1 1 454.933 4.454 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 ZINC001164998016 722220268 /nfs/dbraw/zinc/22/02/68/722220268.db2.gz GNVVLJBXFVQKPO-AMGIVPHBSA-N 1 1 462.594 4.381 20 0 JIADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2ccc4nc(Cl)cc(Cl)c4c2)CC3)CC1 ZINC001164997762 722232875 /nfs/dbraw/zinc/23/28/75/722232875.db2.gz VTUGCWKKJQFHSD-UHFFFAOYSA-N 1 1 493.389 4.234 20 0 JIADMO O=C(CC1CCC2(CC1)OCCO2)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001354544283 1069319390 /nfs/dbraw/zinc/31/93/90/1069319390.db2.gz ABQPOMURWSYIBM-NRFANRHFSA-N 1 1 454.533 4.223 20 0 JIADMO COc1ccccc1OCc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCSC(F)(F)F ZINC001300651581 1069335895 /nfs/dbraw/zinc/33/58/95/1069335895.db2.gz FRGKLXFQDZHECO-QGZVFWFLSA-N 1 1 499.603 4.429 20 0 JIADMO 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Cc1cccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001492514216 1066354837 /nfs/dbraw/zinc/35/48/37/1066354837.db2.gz LLROIISKYOBECI-VQTJNVASSA-N 1 1 480.579 4.461 20 0 JIADMO CSCCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001316462890 1066360204 /nfs/dbraw/zinc/36/02/04/1066360204.db2.gz JWYSQOZTVFZCPV-JTHBVZDNSA-N 1 1 457.688 4.416 20 0 JIADMO CSCCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCC[C@@H]1C ZINC001316469709 1066375209 /nfs/dbraw/zinc/37/52/09/1066375209.db2.gz KGNHFHRUYYNDDR-OALUTQOASA-N 1 1 466.696 4.024 20 0 JIADMO CSCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316475506 1066385714 /nfs/dbraw/zinc/38/57/14/1066385714.db2.gz QVUMKTWKGJIQRG-HDICACEKSA-N 1 1 496.519 4.315 20 0 JIADMO CSCCCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316475506 1066385729 /nfs/dbraw/zinc/38/57/29/1066385729.db2.gz QVUMKTWKGJIQRG-HDICACEKSA-N 1 1 496.519 4.315 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3c[nH]nc3-c3ccc(Cl)cc3)C2)ccn1 ZINC001334604212 1066397296 /nfs/dbraw/zinc/39/72/96/1066397296.db2.gz VWSZOEUFMVBCJE-OAQYLSRUSA-N 1 1 453.974 4.259 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cc(Br)c(Cl)cc3OC)C2)ccn1 ZINC001334604112 1066397482 /nfs/dbraw/zinc/39/74/82/1066397482.db2.gz SWJVFBBGKQZFAF-MRXNPFEDSA-N 1 1 482.806 4.251 20 0 JIADMO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C[C@H](C)C1(F)F ZINC001316494970 1066440495 /nfs/dbraw/zinc/44/04/95/1066440495.db2.gz JUHJFXBROQGDFN-FUHIMQAGSA-N 1 1 495.018 4.198 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C3CCCC3)n2Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC001316502881 1066467165 /nfs/dbraw/zinc/46/71/65/1066467165.db2.gz KEWMQAZDULPJBV-HDICACEKSA-N 1 1 481.563 4.428 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C3CCCC3)n2Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC001316502881 1066467176 /nfs/dbraw/zinc/46/71/76/1066467176.db2.gz KEWMQAZDULPJBV-HDICACEKSA-N 1 1 481.563 4.428 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC(C)(C)C)n2CC[C@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC001316504225 1066474491 /nfs/dbraw/zinc/47/44/91/1066474491.db2.gz ZFYKFAYFAQCKEX-BDTNDASRSA-N 1 1 469.674 4.369 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC(C)(C)C)n2CC[C@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC001316504225 1066474496 /nfs/dbraw/zinc/47/44/96/1066474496.db2.gz ZFYKFAYFAQCKEX-BDTNDASRSA-N 1 1 469.674 4.369 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(C)(C)C)n2CCc2csc(-c3ccccc3)n2)C[C@H](C)O1 ZINC001316504518 1066475904 /nfs/dbraw/zinc/47/59/04/1066475904.db2.gz NHQQCGGSNQNMOP-BGYRXZFFSA-N 1 1 482.698 4.487 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(C)(C)C)n2CCc2csc(-c3ccccc3)n2)C[C@H](C)O1 ZINC001316504518 1066475914 /nfs/dbraw/zinc/47/59/14/1066475914.db2.gz NHQQCGGSNQNMOP-BGYRXZFFSA-N 1 1 482.698 4.487 20 0 JIADMO CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCC[N@@H+](Cc4ccccc4C)CC3)c2)n1 ZINC001337430764 1066483184 /nfs/dbraw/zinc/48/31/84/1066483184.db2.gz ZELCOAQRWSLBPB-UHFFFAOYSA-N 1 1 461.566 4.097 20 0 JIADMO O=C(/C=C\c1cc(Cl)cc(Cl)c1)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001337467865 1066485795 /nfs/dbraw/zinc/48/57/95/1066485795.db2.gz JZEJAAKJMRRCPO-RJRFIUFISA-N 1 1 466.340 4.445 20 0 JIADMO COc1ccc(OCc2nn(CN3CCC[N@H+]4CCC[C@H]4C3)c(=S)n2-c2ccccc2F)cc1 ZINC001338076778 1066528850 /nfs/dbraw/zinc/52/88/50/1066528850.db2.gz RGGRSXJAEKRQTD-IBGZPJMESA-N 1 1 483.613 4.258 20 0 JIADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CCC([C@@H]4C(=O)Nc5ccccc54)CC3)c2c1C ZINC001338311854 1066545828 /nfs/dbraw/zinc/54/58/28/1066545828.db2.gz RGFXWJMXQNIJLM-NRFANRHFSA-N 1 1 493.633 4.190 20 0 JIADMO COc1cc2cc(C(=O)Nc3ccc4[nH]c(C[NH+]5CCCCC5)nc4c3)[nH]c2c(OC)c1OC ZINC001338430453 1066554804 /nfs/dbraw/zinc/55/48/04/1066554804.db2.gz QTPFGYIJXZALGC-UHFFFAOYSA-N 1 1 463.538 4.308 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)CCC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC001338466020 1066557397 /nfs/dbraw/zinc/55/73/97/1066557397.db2.gz KSTBVWJLYYHEBC-UHFFFAOYSA-N 1 1 455.602 4.380 20 0 JIADMO Cc1cccc(NC2CCN(c3nnc(C(C)(C)C)n3C[C@H](C(C)C)[NH+]3CCOCC3)CC2)c1 ZINC001492535990 1066586712 /nfs/dbraw/zinc/58/67/12/1066586712.db2.gz GFORKXJPTKAJCE-XMMPIXPASA-N 1 1 468.690 4.322 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2CC[C@@H](C)C2)c1 ZINC001492538248 1066604453 /nfs/dbraw/zinc/60/44/53/1066604453.db2.gz XPAFDAANDDLQDC-PKTZIBPZSA-N 1 1 469.674 4.396 20 0 JIADMO OC[C@H]1CCC[N@H+]1CCCCn1c(-c2cccc(Br)c2)nnc1N1CCC(F)(F)CC1 ZINC001316585538 1066607053 /nfs/dbraw/zinc/60/70/53/1066607053.db2.gz URWFSDSCTYVRHG-LJQANCHMSA-N 1 1 498.416 4.180 20 0 JIADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)c2ccccc2NC(=O)c2ccccc2Br)C1 ZINC001346088223 1066653386 /nfs/dbraw/zinc/65/33/86/1066653386.db2.gz SUXCKONHAJAXCK-KRWDZBQOSA-N 1 1 475.383 4.215 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492544145 1066679255 /nfs/dbraw/zinc/67/92/55/1066679255.db2.gz HUQWOLWDMHEYCC-RUZDIDTESA-N 1 1 499.700 4.306 20 0 JIADMO 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C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001317927143 1066790557 /nfs/dbraw/zinc/79/05/57/1066790557.db2.gz GFWPQRRXMDGQBA-LJQANCHMSA-N 1 1 458.562 4.344 20 0 JIADMO COc1ccc(Br)cc1NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001317976018 1066827093 /nfs/dbraw/zinc/82/70/93/1066827093.db2.gz ZNFVBUPAPTYRFL-IYBDPMFKSA-N 1 1 462.388 4.389 20 0 JIADMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001318027315 1066859160 /nfs/dbraw/zinc/85/91/60/1066859160.db2.gz BLOXSIJXHUPGAW-SFHVURJKSA-N 1 1 487.526 4.093 20 0 JIADMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001318027315 1066859166 /nfs/dbraw/zinc/85/91/66/1066859166.db2.gz BLOXSIJXHUPGAW-SFHVURJKSA-N 1 1 487.526 4.093 20 0 JIADMO O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC001318035617 1066863543 /nfs/dbraw/zinc/86/35/43/1066863543.db2.gz ROPIGBGQJMKZTD-UHFFFAOYSA-N 1 1 476.964 4.209 20 0 JIADMO CCn1c(SCC(=O)N2CC[NH+](C(C)(C)C)CC2)nnc1-c1ccc(Cl)cc1Cl ZINC001318081482 1066889815 /nfs/dbraw/zinc/88/98/15/1066889815.db2.gz LXQOPQKXAXBLIV-UHFFFAOYSA-N 1 1 456.443 4.307 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2OC)C1 ZINC001318084207 1066892049 /nfs/dbraw/zinc/89/20/49/1066892049.db2.gz JOCTZFLGRUZDMM-SGGJORCASA-N 1 1 479.621 4.036 20 0 JIADMO O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318103243 1066900800 /nfs/dbraw/zinc/90/08/00/1066900800.db2.gz XXCDLCQYHJUBGQ-IBGZPJMESA-N 1 1 472.014 4.029 20 0 JIADMO COc1ccc(C(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)cc1-c1ccccc1 ZINC001318142885 1066922358 /nfs/dbraw/zinc/92/23/58/1066922358.db2.gz HSUWIMFTEOGPNS-UHFFFAOYSA-N 1 1 456.546 4.366 20 0 JIADMO C[C@H](CNC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)[N@@H+]1CCc2sccc2C1 ZINC001318164049 1066932573 /nfs/dbraw/zinc/93/25/73/1066932573.db2.gz GCGIHFBBNVWYHK-QGZVFWFLSA-N 1 1 458.628 4.019 20 0 JIADMO C[C@H](CNC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)[N@H+]1CCc2sccc2C1 ZINC001318164049 1066932578 /nfs/dbraw/zinc/93/25/78/1066932578.db2.gz GCGIHFBBNVWYHK-QGZVFWFLSA-N 1 1 458.628 4.019 20 0 JIADMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)C[C@H](C)O1 ZINC001318183179 1066944718 /nfs/dbraw/zinc/94/47/18/1066944718.db2.gz KDTJXQUCNUTHOM-SELNLUPBSA-N 1 1 459.594 4.012 20 0 JIADMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)C[C@H](C)O1 ZINC001318183179 1066944728 /nfs/dbraw/zinc/94/47/28/1066944728.db2.gz KDTJXQUCNUTHOM-SELNLUPBSA-N 1 1 459.594 4.012 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3nnn(-c4ccc(F)cc4)c3C(F)(F)F)CC2)cc1 ZINC001318220544 1066967944 /nfs/dbraw/zinc/96/79/44/1066967944.db2.gz AJQCQYZHGSBBSC-UHFFFAOYSA-N 1 1 461.463 4.082 20 0 JIADMO COc1ccc(-c2nn(CN3CCC[N@H+]4CCC[C@H]4C3)c(=S)n2CCc2ccccc2)cc1 ZINC001318222583 1066969198 /nfs/dbraw/zinc/96/91/98/1066969198.db2.gz LCFSXFJDKWAADP-QHCPKHFHSA-N 1 1 463.651 4.460 20 0 JIADMO COc1ccc(-c2nn(CN3CCC[N@H+]4CCC[C@@H]4C3)c(=S)n2CCc2ccccc2)cc1 ZINC001318222580 1066969298 /nfs/dbraw/zinc/96/92/98/1066969298.db2.gz LCFSXFJDKWAADP-HSZRJFAPSA-N 1 1 463.651 4.460 20 0 JIADMO C[C@@H](c1ccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC001350771158 1066999696 /nfs/dbraw/zinc/99/96/96/1066999696.db2.gz IJASSZGBHJQLMT-JTSKRJEESA-N 1 1 459.512 4.088 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)N(Cc3ccccc3C(F)(F)F)C3CC3)c2)CC1 ZINC001318284633 1067002438 /nfs/dbraw/zinc/00/24/38/1067002438.db2.gz YBZSOYFQJPVSQK-UHFFFAOYSA-N 1 1 460.544 4.327 20 0 JIADMO S=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001200739022 1067016815 /nfs/dbraw/zinc/01/68/15/1067016815.db2.gz NLLXLFTZNONNGN-DNQXCXABSA-N 1 1 459.615 4.438 20 0 JIADMO O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318347593 1067026804 /nfs/dbraw/zinc/02/68/04/1067026804.db2.gz LENMMUYSLXJOSM-FQEVSTJZSA-N 1 1 494.983 4.046 20 0 JIADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)c2cc3cccc(Cl)c3s2)c1 ZINC001351020010 1067033468 /nfs/dbraw/zinc/03/34/68/1067033468.db2.gz QUMZMALNUKIOGW-UHFFFAOYSA-N 1 1 457.983 4.146 20 0 JIADMO Cc1cc(C(=O)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c(C)n1Cc1ccco1 ZINC001318434241 1067042265 /nfs/dbraw/zinc/04/22/65/1067042265.db2.gz RRZNILNHZUFYAD-UHFFFAOYSA-N 1 1 465.594 4.166 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)nn3C)C2)ccn1 ZINC001351117734 1067047685 /nfs/dbraw/zinc/04/76/85/1067047685.db2.gz ORSYOBZDEUVQRX-QFIPXVFZSA-N 1 1 468.001 4.269 20 0 JIADMO CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC001351237888 1067063592 /nfs/dbraw/zinc/06/35/92/1067063592.db2.gz UVGRPVFFSOHHOM-GHTZIAJQSA-N 1 1 458.400 4.106 20 0 JIADMO CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC001351237888 1067063605 /nfs/dbraw/zinc/06/36/05/1067063605.db2.gz UVGRPVFFSOHHOM-GHTZIAJQSA-N 1 1 458.400 4.106 20 0 JIADMO Cc1nc([C@H]2CCOC2)sc1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001351273698 1067069166 /nfs/dbraw/zinc/06/91/66/1067069166.db2.gz QMIRIYCGXSVKNP-KRWDZBQOSA-N 1 1 453.530 4.322 20 0 JIADMO Cc1nc([C@H]2CCOC2)sc1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001351273698 1067069179 /nfs/dbraw/zinc/06/91/79/1067069179.db2.gz QMIRIYCGXSVKNP-KRWDZBQOSA-N 1 1 453.530 4.322 20 0 JIADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NCc2cccc(C(=O)N(C)C)c2)c1 ZINC001354741628 1067071151 /nfs/dbraw/zinc/07/11/51/1067071151.db2.gz RSBGUNPQAPVFEV-RRPNLBNLSA-N 1 1 455.602 4.229 20 0 JIADMO COC(=O)[C@@H]1C[NH+](Cc2ccc(Cl)cc2Oc2ccc(Cl)c(F)c2)C[C@H]1C(=O)OC ZINC001474748800 1067090262 /nfs/dbraw/zinc/09/02/62/1067090262.db2.gz RNRKOEJDPIQPNR-HZPDHXFCSA-N 1 1 456.297 4.319 20 0 JIADMO C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1cc2c(cc1Br)OCCO2 ZINC001354775160 1067091593 /nfs/dbraw/zinc/09/15/93/1067091593.db2.gz ZKBGOEWPFNYGKQ-HXPMCKFVSA-N 1 1 453.764 4.354 20 0 JIADMO Cc1ccn(C[C@H](C)C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)n1 ZINC001351450250 1067096734 /nfs/dbraw/zinc/09/67/34/1067096734.db2.gz XHBOGTWFBLKUTP-IBGZPJMESA-N 1 1 452.002 4.442 20 0 JIADMO CC(C)N1C(=O)C[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001351475324 1067102670 /nfs/dbraw/zinc/10/26/70/1067102670.db2.gz KBFZVQAQCXSZNB-RDPSFJRHSA-N 1 1 457.977 4.122 20 0 JIADMO O=C(NCc1ccc(-n2cnc3ccccc32)nc1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001321288391 1067104633 /nfs/dbraw/zinc/10/46/33/1067104633.db2.gz LHEXUIUJCOFZEU-RUZDIDTESA-N 1 1 479.506 4.491 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)n1 ZINC001321333836 1067105615 /nfs/dbraw/zinc/10/56/15/1067105615.db2.gz BSTHHIAVJZKHEM-SANMLTNESA-N 1 1 486.601 4.087 20 0 JIADMO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001351527774 1067118755 /nfs/dbraw/zinc/11/87/55/1067118755.db2.gz DUKQMWQPRRWVNB-YJBOKZPZSA-N 1 1 455.352 4.429 20 0 JIADMO O=C(Cc1cccs1)Nc1nc(CC(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)cs1 ZINC001321485297 1067142108 /nfs/dbraw/zinc/14/21/08/1067142108.db2.gz GTESPJWIWNWIRT-UHFFFAOYSA-N 1 1 494.646 4.429 20 0 JIADMO COC1CCC(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001300731869 1067168588 /nfs/dbraw/zinc/16/85/88/1067168588.db2.gz OTJWPTGKKKYWQC-UHFFFAOYSA-N 1 1 499.700 4.226 20 0 JIADMO COC1CCC(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001300731869 1067168632 /nfs/dbraw/zinc/16/86/32/1067168632.db2.gz OTJWPTGKKKYWQC-UHFFFAOYSA-N 1 1 499.700 4.226 20 0 JIADMO CC1(C)C[N@H+](C2(CNC(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)CCCCC2)CCO1 ZINC001321641162 1067186551 /nfs/dbraw/zinc/18/65/51/1067186551.db2.gz YQCVJNDNDDNRLW-FQEVSTJZSA-N 1 1 453.631 4.266 20 0 JIADMO Cc1ccccc1Cc1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492578903 1067191396 /nfs/dbraw/zinc/19/13/96/1067191396.db2.gz ALTPPYRIJCKRKN-BHIFYINESA-N 1 1 469.674 4.069 20 0 JIADMO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC001321844844 1067218173 /nfs/dbraw/zinc/21/81/73/1067218173.db2.gz NDIUPYQPFKHIPZ-UHFFFAOYSA-N 1 1 475.565 4.261 20 0 JIADMO CO[C@H]1CCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300744816 1067246482 /nfs/dbraw/zinc/24/64/82/1067246482.db2.gz KIFHJYIFHMXSSI-GGAORHGYSA-N 1 1 455.647 4.025 20 0 JIADMO CO[C@@H]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300744819 1067246680 /nfs/dbraw/zinc/24/66/80/1067246680.db2.gz KIFHJYIFHMXSSI-JTHBVZDNSA-N 1 1 455.647 4.025 20 0 JIADMO COc1cc(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc(OC)c1OC ZINC001354901085 1067267987 /nfs/dbraw/zinc/26/79/87/1067267987.db2.gz LERUJOAHMASIMK-HHHXNRCGSA-N 1 1 452.595 4.160 20 0 JIADMO CO[C@H]1CCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001300752973 1067277573 /nfs/dbraw/zinc/27/75/73/1067277573.db2.gz VLXPQUAAGZOUEZ-GMAHTHKFSA-N 1 1 490.092 4.132 20 0 JIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001322349036 1067279993 /nfs/dbraw/zinc/27/99/93/1067279993.db2.gz GSYCJIRHWWMIGU-HSZRJFAPSA-N 1 1 450.608 4.215 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001300757246 1067286431 /nfs/dbraw/zinc/28/64/31/1067286431.db2.gz FPBKMFCXHFGEEZ-WOJBJXKFSA-N 1 1 463.573 4.282 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001300758177 1067290660 /nfs/dbraw/zinc/29/06/60/1067290660.db2.gz AVLKQKWQZLPKFV-JOCHJYFZSA-N 1 1 469.033 4.497 20 0 JIADMO CN1CCN(c2ccccc2CNC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC1 ZINC001322481374 1067298908 /nfs/dbraw/zinc/29/89/08/1067298908.db2.gz QGBYRFJPMMNFJB-UHFFFAOYSA-N 1 1 471.649 4.166 20 0 JIADMO Cc1c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)nnn1CCOc1ccc(F)cc1 ZINC001354993148 1067323772 /nfs/dbraw/zinc/32/37/72/1067323772.db2.gz NXXMCWDDDADJLZ-GOSISDBHSA-N 1 1 451.546 4.431 20 0 JIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001323720409 1067325872 /nfs/dbraw/zinc/32/58/72/1067325872.db2.gz BCOGTLGODCWSOT-SFHVURJKSA-N 1 1 453.537 4.395 20 0 JIADMO CO[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001300774002 1067326893 /nfs/dbraw/zinc/32/68/93/1067326893.db2.gz WAHAGURNVPDPPQ-ZEQRLZLVSA-N 1 1 469.674 4.457 20 0 JIADMO CCOc1ccc(C2(CNC(=O)N3CCC[N@@H+](Cc4ccc(C)cc4)CC3)CCOCC2)cc1 ZINC001324142788 1067333829 /nfs/dbraw/zinc/33/38/29/1067333829.db2.gz DPXWORWJDLQCIC-UHFFFAOYSA-N 1 1 465.638 4.359 20 0 JIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2nn(-c3ccccc3F)cc2Br)C1 ZINC001324257637 1067337130 /nfs/dbraw/zinc/33/71/30/1067337130.db2.gz OIRAVYMREHQSNQ-IYBDPMFKSA-N 1 1 451.384 4.262 20 0 JIADMO COc1ccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300001302 1067339111 /nfs/dbraw/zinc/33/91/11/1067339111.db2.gz VVOUZFQUFPOEDN-UGKGYDQZSA-N 1 1 484.670 4.007 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3ccoc3C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300002350 1067342728 /nfs/dbraw/zinc/34/27/28/1067342728.db2.gz JIVUYZBOMQUTSS-KDURUIRLSA-N 1 1 497.640 4.388 20 0 JIADMO CO[C@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001300785026 1067345480 /nfs/dbraw/zinc/34/54/80/1067345480.db2.gz ODUZEPKMYOEPPK-APWZRJJASA-N 1 1 450.052 4.322 20 0 JIADMO CCS(=O)(=O)Nc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)cc1C ZINC001200004528 1067345586 /nfs/dbraw/zinc/34/55/86/1067345586.db2.gz XKURKFOGKKHQQE-HSZRJFAPSA-N 1 1 458.628 4.131 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001300003254 1067347085 /nfs/dbraw/zinc/34/70/85/1067347085.db2.gz RPEOZEROFVEYCR-MRXNPFEDSA-N 1 1 474.403 4.430 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3cc(C)on3)n2CC[N@H+]2CCC[C@@H]2C)cc1Br ZINC001300005934 1067354164 /nfs/dbraw/zinc/35/41/64/1067354164.db2.gz IAXJJWVEVKCZLL-HNNXBMFYSA-N 1 1 489.418 4.133 20 0 JIADMO CC(=O)Nc1c(C)ccc(NC(=O)N2CC[C@@]3(C2)C[N@@H+](Cc2ccccc2)C[C@@H](C)O3)c1C ZINC001200009985 1067355938 /nfs/dbraw/zinc/35/59/38/1067355938.db2.gz GYANIJITHXZVDA-BCHFMIIMSA-N 1 1 450.583 4.159 20 0 JIADMO CC(=O)Nc1c(C)ccc(NC(=O)N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@@H](C)O3)c1C ZINC001200009985 1067355951 /nfs/dbraw/zinc/35/59/51/1067355951.db2.gz GYANIJITHXZVDA-BCHFMIIMSA-N 1 1 450.583 4.159 20 0 JIADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H](Oc3ccc(Cl)cc3)C(C)C)cc2)CC1 ZINC001355085670 1067371653 /nfs/dbraw/zinc/37/16/53/1067371653.db2.gz VUIVCGCKUPRWGH-DEOSSOPVSA-N 1 1 458.002 4.089 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001492554964 1067373091 /nfs/dbraw/zinc/37/30/91/1067373091.db2.gz ZRUGRZFYBWTJCQ-VABKMULXSA-N 1 1 487.714 4.341 20 0 JIADMO COc1ccc(-c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001300016763 1067376661 /nfs/dbraw/zinc/37/66/61/1067376661.db2.gz FARRMMYOBAULFR-SQJMNOBHSA-N 1 1 496.700 4.301 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001492581006 1067378917 /nfs/dbraw/zinc/37/89/17/1067378917.db2.gz TYZFPNLELOJZTM-GPXNEJASSA-N 1 1 496.700 4.401 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1CCC(=O)N(C)C ZINC001492581723 1067386181 /nfs/dbraw/zinc/38/61/81/1067386181.db2.gz OWKTVKBYPKFONO-HSZRJFAPSA-N 1 1 480.701 4.137 20 0 JIADMO COC(=O)c1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc(C(=O)OC)c1 ZINC001355209204 1067389496 /nfs/dbraw/zinc/38/94/96/1067389496.db2.gz SHTPIOQNTGJDKG-BJKOFHAPSA-N 1 1 464.562 4.137 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCCCCSC)c(OC)c1 ZINC001300027368 1067401545 /nfs/dbraw/zinc/40/15/45/1067401545.db2.gz MPNLIBBSRAXDCQ-RTBURBONSA-N 1 1 459.660 4.169 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CC(C)(C)C(F)(F)F)c(OC)c1 ZINC001300027454 1067402611 /nfs/dbraw/zinc/40/26/11/1067402611.db2.gz OWXVJZGTJJCBLP-HZPDHXFCSA-N 1 1 467.536 4.224 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)cc1F ZINC001355406344 1067451764 /nfs/dbraw/zinc/45/17/64/1067451764.db2.gz XVBRHWXBHLQHAB-UHFFFAOYSA-N 1 1 459.312 4.196 20 0 JIADMO COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)C1 ZINC001355420346 1067458919 /nfs/dbraw/zinc/45/89/19/1067458919.db2.gz RMCIOZLIMCVHDF-AZUAARDMSA-N 1 1 477.026 4.071 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CC[N@H+]2CCCC(C)(C)C2)c(OC)c1 ZINC001300040540 1067462817 /nfs/dbraw/zinc/46/28/17/1067462817.db2.gz TYYVRCUNUYHMKK-UHFFFAOYSA-N 1 1 485.673 4.073 20 0 JIADMO Cc1cc(CN(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc(C)c1OCC(F)(F)F ZINC001355466175 1067475813 /nfs/dbraw/zinc/47/58/13/1067475813.db2.gz DSSSJEZTYHKUCK-NRFANRHFSA-N 1 1 450.501 4.104 20 0 JIADMO Cc1cc(CN(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(C)c1OCC(F)(F)F ZINC001355466175 1067475843 /nfs/dbraw/zinc/47/58/43/1067475843.db2.gz DSSSJEZTYHKUCK-NRFANRHFSA-N 1 1 450.501 4.104 20 0 JIADMO CN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001355528518 1067500171 /nfs/dbraw/zinc/50/01/71/1067500171.db2.gz DSBHRVZATXPHTO-BJKOFHAPSA-N 1 1 451.611 4.418 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC001300048552 1067503107 /nfs/dbraw/zinc/50/31/07/1067503107.db2.gz BJZGBGSLDIGZEN-GMAHTHKFSA-N 1 1 485.673 4.336 20 0 JIADMO CC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355544213 1067504984 /nfs/dbraw/zinc/50/49/84/1067504984.db2.gz FMQFXIYXBKBZCU-XZOQPEGZSA-N 1 1 458.643 4.465 20 0 JIADMO CC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355544213 1067504996 /nfs/dbraw/zinc/50/49/96/1067504996.db2.gz FMQFXIYXBKBZCU-XZOQPEGZSA-N 1 1 458.643 4.465 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300049922 1067507032 /nfs/dbraw/zinc/50/70/32/1067507032.db2.gz LWYAITNKLQEXEJ-IEBWSBKVSA-N 1 1 463.573 4.176 20 0 JIADMO 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 1067511566 /nfs/dbraw/zinc/51/15/66/1067511566.db2.gz VPAYJFFZUFQADU-BHIFYINESA-N 1 1 485.673 4.334 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300050903 1067511697 /nfs/dbraw/zinc/51/16/97/1067511697.db2.gz VYBABHWIVJSLLR-VWNXMTODSA-N 1 1 455.647 4.183 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC001300052115 1067520987 /nfs/dbraw/zinc/52/09/87/1067520987.db2.gz VNGWDTJENOQAFV-FNZWTVRRSA-N 1 1 471.646 4.232 20 0 JIADMO COc1ccc(CCNC(=S)N2CCN(Cc3csc(C)n3)c3[nH+]c(C)ccc3C2)cc1OC ZINC001200071613 1067522504 /nfs/dbraw/zinc/52/25/04/1067522504.db2.gz BZWBPIZLTYMGCH-UHFFFAOYSA-N 1 1 497.690 4.112 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001492582262 1067523410 /nfs/dbraw/zinc/52/34/10/1067523410.db2.gz BMCOOTHQDHRGTL-QHCPKHFHSA-N 1 1 480.701 4.039 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H](OC)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300055978 1067538309 /nfs/dbraw/zinc/53/83/09/1067538309.db2.gz DPXKXAKKXDFIRR-IFMALSPDSA-N 1 1 471.646 4.090 20 0 JIADMO COC(=O)/C=C/c1ccc(OC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)c(OC)c1 ZINC001352580259 1067552203 /nfs/dbraw/zinc/55/22/03/1067552203.db2.gz MDXIMKLOEFMZFK-XYDKVEKUSA-N 1 1 453.535 4.354 20 0 JIADMO COC(=O)/C=C/c1ccc(OC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC001352580258 1067552581 /nfs/dbraw/zinc/55/25/81/1067552581.db2.gz MDXIMKLOEFMZFK-XUDAUXSOSA-N 1 1 453.535 4.354 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001492584386 1067562556 /nfs/dbraw/zinc/56/25/56/1067562556.db2.gz JTMVZKKPAVTWIL-HSZRJFAPSA-N 1 1 494.728 4.430 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H]2CCO[C@@H]2C(C)C)cc1 ZINC001300061664 1067566209 /nfs/dbraw/zinc/56/62/09/1067566209.db2.gz MIAMHWSAKXTQMN-JTHBVZDNSA-N 1 1 455.647 4.325 20 0 JIADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cc4cc(Br)ccc4s3)cc2)CC1 ZINC001355819422 1067586827 /nfs/dbraw/zinc/58/68/27/1067586827.db2.gz JQFGYTBPDXXGBN-UHFFFAOYSA-N 1 1 458.381 4.304 20 0 JIADMO C[C@@H](C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(C(=O)c2ccccc2)c1 ZINC001355819191 1067586888 /nfs/dbraw/zinc/58/68/88/1067586888.db2.gz HJBYIOFVEVUCBP-HXUWFJFHSA-N 1 1 455.558 4.047 20 0 JIADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC001352630974 1067591875 /nfs/dbraw/zinc/59/18/75/1067591875.db2.gz MDQUYJUFIMAROF-AJTFRIOCSA-N 1 1 463.528 4.109 20 0 JIADMO 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 1067600739 /nfs/dbraw/zinc/60/07/39/1067600739.db2.gz PKSMLEUYLAZUED-OUOWLKGYSA-N 1 1 451.615 4.121 20 0 JIADMO COc1ccc(-c2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 ZINC001300076421 1067603573 /nfs/dbraw/zinc/60/35/73/1067603573.db2.gz OSPJMASFWIEOKW-JTHBVZDNSA-N 1 1 498.672 4.178 20 0 JIADMO CCN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001356026450 1067638309 /nfs/dbraw/zinc/63/83/09/1067638309.db2.gz DHPXVDXJFSEDQW-DNQXCXABSA-N 1 1 461.631 4.129 20 0 JIADMO COc1ccc(-c2nnc(N3CC[C@H](OC)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1Br ZINC001300089976 1067643831 /nfs/dbraw/zinc/64/38/31/1067643831.db2.gz VHEAHSPTEWAQLJ-HKUYNNGSSA-N 1 1 492.462 4.062 20 0 JIADMO 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 1067644488 /nfs/dbraw/zinc/64/44/88/1067644488.db2.gz ZEJDVVCCOIENID-SJBKTWHCSA-N 1 1 498.672 4.178 20 0 JIADMO COc1ccc(C2CCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)CC2)cc1 ZINC001300096935 1067661866 /nfs/dbraw/zinc/66/18/66/1067661866.db2.gz PVKBMDNGEXUJBO-OAQYLSRUSA-N 1 1 469.674 4.469 20 0 JIADMO CCN(CC)C(=O)CCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC001356123475 1067665810 /nfs/dbraw/zinc/66/58/10/1067665810.db2.gz KHHPTMYTUONLPV-UHFFFAOYSA-N 1 1 457.018 4.249 20 0 JIADMO COc1ccc(C[C@H](C)CN(C)c2nnc(-c3cccn3C)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300099063 1067669109 /nfs/dbraw/zinc/66/91/09/1067669109.db2.gz AYGOTJCYMAWBOU-YADHBBJMSA-N 1 1 464.658 4.339 20 0 JIADMO COc1ccc([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)C2)cc1 ZINC001300099576 1067671508 /nfs/dbraw/zinc/67/15/08/1067671508.db2.gz HYQWRUAUXFTYMB-FYYLOGMGSA-N 1 1 469.674 4.370 20 0 JIADMO C[C@@H](c1ccc(NC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1)N1CCOCC1 ZINC001200123103 1067687260 /nfs/dbraw/zinc/68/72/60/1067687260.db2.gz XWDYHHRXIDAEAV-IMIIHFCZSA-N 1 1 450.627 4.358 20 0 JIADMO 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 1067688312 /nfs/dbraw/zinc/68/83/12/1067688312.db2.gz LEFDMELPVHSXTP-HFMPRLQTSA-N 1 1 496.700 4.063 20 0 JIADMO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001352756573 1067704311 /nfs/dbraw/zinc/70/43/11/1067704311.db2.gz BVIIBTZTNNQCAJ-GEHKOOOTSA-N 1 1 450.048 4.069 20 0 JIADMO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001352756573 1067704326 /nfs/dbraw/zinc/70/43/26/1067704326.db2.gz BVIIBTZTNNQCAJ-GEHKOOOTSA-N 1 1 450.048 4.069 20 0 JIADMO CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001352757547 1067705955 /nfs/dbraw/zinc/70/59/55/1067705955.db2.gz QLFVHIDWILAWQG-PMACEKPBSA-N 1 1 452.064 4.148 20 0 JIADMO CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001352757547 1067705966 /nfs/dbraw/zinc/70/59/66/1067705966.db2.gz QLFVHIDWILAWQG-PMACEKPBSA-N 1 1 452.064 4.148 20 0 JIADMO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001300112409 1067714902 /nfs/dbraw/zinc/71/49/02/1067714902.db2.gz PJQJEFCKTMPKOE-ZRBLBEILSA-N 1 1 458.961 4.249 20 0 JIADMO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001300112409 1067714915 /nfs/dbraw/zinc/71/49/15/1067714915.db2.gz PJQJEFCKTMPKOE-ZRBLBEILSA-N 1 1 458.961 4.249 20 0 JIADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc4cc(Br)ccc4c3)cc2)CC1 ZINC001356288126 1067717076 /nfs/dbraw/zinc/71/70/76/1067717076.db2.gz WTRBGQWMBNXAPM-UHFFFAOYSA-N 1 1 452.352 4.242 20 0 JIADMO COc1ccc(CCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001300113328 1067718157 /nfs/dbraw/zinc/71/81/57/1067718157.db2.gz DNVZFCMZUUXKQJ-NRFANRHFSA-N 1 1 469.674 4.198 20 0 JIADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCCC(=O)NCc2ccccc2)c1 ZINC001356294226 1067718472 /nfs/dbraw/zinc/71/84/72/1067718472.db2.gz IKKTTZVUDRBBIB-RRPNLBNLSA-N 1 1 455.602 4.033 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001356353694 1067733721 /nfs/dbraw/zinc/73/37/21/1067733721.db2.gz BNTVYZDFAYAGGG-PWHSHALESA-N 1 1 453.583 4.235 20 0 JIADMO 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 1067765324 /nfs/dbraw/zinc/76/53/24/1067765324.db2.gz ICCOKDNWOGBHIA-POTDMOMCSA-N 1 1 455.643 4.441 20 0 JIADMO CCOC(=O)[C@@]1(NC(=S)Nc2ccc(C)cc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC001200156785 1067779164 /nfs/dbraw/zinc/77/91/64/1067779164.db2.gz QQOLXQNXUMXJER-JOCHJYFZSA-N 1 1 476.440 4.252 20 0 JIADMO Cc1c(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001356581790 1067783233 /nfs/dbraw/zinc/78/32/33/1067783233.db2.gz BYYHRORZFGNJQK-UHFFFAOYSA-N 1 1 458.484 4.327 20 0 JIADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC001352893610 1067788322 /nfs/dbraw/zinc/78/83/22/1067788322.db2.gz NZJBXDFVJPBOAB-IARZGTGTSA-N 1 1 469.629 4.026 20 0 JIADMO [NH2+]=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000849074869 1067797214 /nfs/dbraw/zinc/79/72/14/1067797214.db2.gz JFOOCKHNIRXMSR-UHFFFAOYSA-N 1 1 455.238 4.269 20 0 JIADMO [NH2+]=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000849074869 1067797233 /nfs/dbraw/zinc/79/72/33/1067797233.db2.gz JFOOCKHNIRXMSR-UHFFFAOYSA-N 1 1 455.238 4.269 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)c1 ZINC001357127939 1067807313 /nfs/dbraw/zinc/80/73/13/1067807313.db2.gz WRNNVCQHUZIOQZ-HXUWFJFHSA-N 1 1 450.926 4.229 20 0 JIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)c1 ZINC001357127939 1067807314 /nfs/dbraw/zinc/80/73/14/1067807314.db2.gz WRNNVCQHUZIOQZ-HXUWFJFHSA-N 1 1 450.926 4.229 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)[C@@H](c3cnn(C)c3)c3cccc(F)c3)cc2)C[C@H](C)O1 ZINC001357180943 1067815164 /nfs/dbraw/zinc/81/51/64/1067815164.db2.gz ZCEIYKYTBCVWRK-HHJKRLRDSA-N 1 1 450.558 4.030 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)[C@@H](c3cnn(C)c3)c3cccc(F)c3)cc2)C[C@H](C)O1 ZINC001357180943 1067815173 /nfs/dbraw/zinc/81/51/73/1067815173.db2.gz ZCEIYKYTBCVWRK-HHJKRLRDSA-N 1 1 450.558 4.030 20 0 JIADMO COc1ccc(CN(C)c2nnc(C(C)(C)C)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1OC(F)F ZINC001300159108 1067815306 /nfs/dbraw/zinc/81/53/06/1067815306.db2.gz QCVZDTYAWBBVOQ-OAHLLOKOSA-N 1 1 451.562 4.305 20 0 JIADMO COc1ccc(CN(C)c2nnc(C(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)cc1OC(F)F ZINC001300159296 1067815619 /nfs/dbraw/zinc/81/56/19/1067815619.db2.gz XGHAYXQAROODSY-INIZCTEOSA-N 1 1 451.562 4.306 20 0 JIADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)CCCc1csc2ccccc12 ZINC001357186367 1067815913 /nfs/dbraw/zinc/81/59/13/1067815913.db2.gz RZSJSKIALZLXIF-UHFFFAOYSA-N 1 1 451.592 4.259 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001300162774 1067818398 /nfs/dbraw/zinc/81/83/98/1067818398.db2.gz SJWMMGBZIBOXLZ-QHCPKHFHSA-N 1 1 450.631 4.357 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC001300163981 1067821133 /nfs/dbraw/zinc/82/11/33/1067821133.db2.gz FOXNWDKFOPRXKR-KDURUIRLSA-N 1 1 466.630 4.380 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300164538 1067822028 /nfs/dbraw/zinc/82/20/28/1067822028.db2.gz TXVOJJMXLCXIPC-HOFKKMOUSA-N 1 1 485.673 4.084 20 0 JIADMO O=C(Cc1cccc(I)c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC001357293403 1067831218 /nfs/dbraw/zinc/83/12/18/1067831218.db2.gz HZKFRUXOCCMANV-UHFFFAOYSA-N 1 1 452.361 4.021 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1F ZINC001300174359 1067833781 /nfs/dbraw/zinc/83/37/81/1067833781.db2.gz SHZJPNRSBYGMSV-CTNGQTDRSA-N 1 1 459.610 4.078 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001300176227 1067835738 /nfs/dbraw/zinc/83/57/38/1067835738.db2.gz MIHPQCQFFZKQQK-XMMPIXPASA-N 1 1 462.642 4.277 20 0 JIADMO C[C@@H](CNC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC001357336731 1067835904 /nfs/dbraw/zinc/83/59/04/1067835904.db2.gz AXUDPKYKHKIPFM-ZDUSSCGKSA-N 1 1 452.477 4.268 20 0 JIADMO C[C@@H](CNC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F)[N@H+]1CCc2sccc2C1 ZINC001357336731 1067835906 /nfs/dbraw/zinc/83/59/06/1067835906.db2.gz AXUDPKYKHKIPFM-ZDUSSCGKSA-N 1 1 452.477 4.268 20 0 JIADMO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300180274 1067843223 /nfs/dbraw/zinc/84/32/23/1067843223.db2.gz KUTAACPCYDAUDH-DEOSSOPVSA-N 1 1 455.647 4.013 20 0 JIADMO CC1(C)[C@@H](NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)C[C@@H]1[NH+]1CCOCC1 ZINC001300188533 1067851689 /nfs/dbraw/zinc/85/16/89/1067851689.db2.gz HSCTZOPKGKGZLP-OALUTQOASA-N 1 1 452.382 4.197 20 0 JIADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cnc(-c4ccc(F)c(F)c4)s3)cc2)CC1 ZINC001357480089 1067855895 /nfs/dbraw/zinc/85/58/95/1067855895.db2.gz PYZVZZVGDXNVOW-UHFFFAOYSA-N 1 1 456.518 4.118 20 0 JIADMO Cc1cc(Br)cc(C)c1NC(=S)N1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001200221304 1067862188 /nfs/dbraw/zinc/86/21/88/1067862188.db2.gz DEZZFLOUGKQZFF-TZIWHRDSSA-N 1 1 489.483 4.381 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(Cl)cc(Br)c3)cc2)C1 ZINC001357644928 1067881776 /nfs/dbraw/zinc/88/17/76/1067881776.db2.gz MJCSWBWPNSQELA-CQSZACIVSA-N 1 1 450.764 4.052 20 0 JIADMO CN(C(=O)CCN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC001473295498 1067884447 /nfs/dbraw/zinc/88/44/47/1067884447.db2.gz LGKQMMBQIOXARW-UHFFFAOYSA-N 1 1 457.618 4.463 20 0 JIADMO COc1ccc(Cn2c(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)nnc2C(C)(C)C)c(C(F)(F)F)c1 ZINC001300223157 1067894670 /nfs/dbraw/zinc/89/46/70/1067894670.db2.gz CBWAIPANKDDMGJ-CALCHBBNSA-N 1 1 483.579 4.197 20 0 JIADMO COc1ccc(Cn2c(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nnc2C(C)(C)C)c(C(F)(F)F)c1 ZINC001300223157 1067894672 /nfs/dbraw/zinc/89/46/72/1067894672.db2.gz CBWAIPANKDDMGJ-CALCHBBNSA-N 1 1 483.579 4.197 20 0 JIADMO COc1ccc(CN2CCCN(c3nnc(C(C)C)n3C[C@@H]3CCC[N@@H+](CC(C)C)C3)CC2=O)cc1 ZINC001300231158 1067912759 /nfs/dbraw/zinc/91/27/59/1067912759.db2.gz SRYZIQLMFNITSL-XMMPIXPASA-N 1 1 496.700 4.017 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCCCO2)n1CCCn1cc[nH+]c1C ZINC001300237269 1067932423 /nfs/dbraw/zinc/93/24/23/1067932423.db2.gz GVSBUDXZXPGALF-OAQYLSRUSA-N 1 1 458.994 4.413 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CCN2CCOC(C)(C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492560284 1067947906 /nfs/dbraw/zinc/94/79/06/1067947906.db2.gz UEGXKERJWCXHGZ-ZRZAMGCNSA-N 1 1 482.717 4.169 20 0 JIADMO C[N@@H+]1CC[C@H](CNC(=O)c2nc(C(F)(F)F)n3c2CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001358037322 1067998990 /nfs/dbraw/zinc/99/89/90/1067998990.db2.gz FXBRUUKWGIUONZ-FZKQIMNGSA-N 1 1 458.887 4.454 20 0 JIADMO C[N@H+]1CC[C@H](CNC(=O)c2nc(C(F)(F)F)n3c2CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001358037322 1067999021 /nfs/dbraw/zinc/99/90/21/1067999021.db2.gz FXBRUUKWGIUONZ-FZKQIMNGSA-N 1 1 458.887 4.454 20 0 JIADMO COc1ccc(OC)c(CCCn2c([C@H]3CCCO3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC001300254421 1068011575 /nfs/dbraw/zinc/01/15/75/1068011575.db2.gz POTVQMPLGIUDJJ-HSZRJFAPSA-N 1 1 471.646 4.090 20 0 JIADMO Cc1ccccc1-c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001492562132 1068013433 /nfs/dbraw/zinc/01/34/33/1068013433.db2.gz FZXBASJVZOEEJP-FSSWDIPSSA-N 1 1 482.673 4.477 20 0 JIADMO 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 1068024168 /nfs/dbraw/zinc/02/41/68/1068024168.db2.gz QBZFXKQNZXFHTD-HFJWLAOPSA-N 1 1 454.615 4.124 20 0 JIADMO Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)cnn1-c1cc[nH+]cc1 ZINC001358134190 1068027856 /nfs/dbraw/zinc/02/78/56/1068027856.db2.gz ITKXWLURRADRBG-GASCZTMLSA-N 1 1 459.472 4.460 20 0 JIADMO CC(=O)N[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cccc(Br)c1 ZINC001353328772 1068029201 /nfs/dbraw/zinc/02/92/01/1068029201.db2.gz QXAIHZUKGHQSHN-OPAMFIHVSA-N 1 1 458.400 4.497 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001492563942 1068047657 /nfs/dbraw/zinc/04/76/57/1068047657.db2.gz RCPHUOYBTGQMLI-JGCGQSQUSA-N 1 1 457.688 4.111 20 0 JIADMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC001358251070 1068051237 /nfs/dbraw/zinc/05/12/37/1068051237.db2.gz OLNPHXVRNLRVAK-UHFFFAOYSA-N 1 1 457.574 4.243 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001492564325 1068052436 /nfs/dbraw/zinc/05/24/36/1068052436.db2.gz DVZOICYBFJWAFM-HSZRJFAPSA-N 1 1 466.674 4.115 20 0 JIADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(OC)cc3OCCC(C)C)cc2)CC1 ZINC001358257127 1068052716 /nfs/dbraw/zinc/05/27/16/1068052716.db2.gz KJGCTKZCUJKGNW-UHFFFAOYSA-N 1 1 453.583 4.150 20 0 JIADMO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](C[C@](C)(O)c3ccc(Br)cc3F)C2)C1 ZINC001473360429 1068059626 /nfs/dbraw/zinc/05/96/26/1068059626.db2.gz OWOOQLOZOXIASH-LEWJYISDSA-N 1 1 457.384 4.129 20 0 JIADMO Cc1cccc(CNC(=O)c2ccc(C(=O)Nc3ccc(CC[NH+]4CCOCC4)cc3)cc2)c1 ZINC001358287354 1068060571 /nfs/dbraw/zinc/06/05/71/1068060571.db2.gz TVPUHFXACDEATN-UHFFFAOYSA-N 1 1 457.574 4.052 20 0 JIADMO CC[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001473359259 1068062992 /nfs/dbraw/zinc/06/29/92/1068062992.db2.gz QCTGTXXRKKBNBV-QHCPKHFHSA-N 1 1 455.624 4.027 20 0 JIADMO CC[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001473359259 1068063005 /nfs/dbraw/zinc/06/30/05/1068063005.db2.gz QCTGTXXRKKBNBV-QHCPKHFHSA-N 1 1 455.624 4.027 20 0 JIADMO CC[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001473359258 1068063113 /nfs/dbraw/zinc/06/31/13/1068063113.db2.gz QCTGTXXRKKBNBV-HSZRJFAPSA-N 1 1 455.624 4.027 20 0 JIADMO CC[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001473359258 1068063127 /nfs/dbraw/zinc/06/31/27/1068063127.db2.gz QCTGTXXRKKBNBV-HSZRJFAPSA-N 1 1 455.624 4.027 20 0 JIADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC001473366403 1068072383 /nfs/dbraw/zinc/07/23/83/1068072383.db2.gz SPJGKRLZHBYVGM-UYAOXDASSA-N 1 1 457.640 4.411 20 0 JIADMO CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC001358361200 1068074704 /nfs/dbraw/zinc/07/47/04/1068074704.db2.gz HUDHFRMPDUSQDZ-IBGZPJMESA-N 1 1 453.583 4.293 20 0 JIADMO CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC001358361203 1068074871 /nfs/dbraw/zinc/07/48/71/1068074871.db2.gz HUDHFRMPDUSQDZ-LJQANCHMSA-N 1 1 453.583 4.293 20 0 JIADMO CCN(C(=O)c1nc(CNC(=O)OC(C)(C)C)sc1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001358469873 1068098595 /nfs/dbraw/zinc/09/85/95/1068098595.db2.gz CVEKJTJRKBNBPX-LJQANCHMSA-N 1 1 458.628 4.213 20 0 JIADMO COCc1nnc(-c2cccc(C(=O)NC[C@H]3CCCC[N@@H+]3Cc3cccc(Cl)c3)c2)o1 ZINC001358478543 1068099752 /nfs/dbraw/zinc/09/97/52/1068099752.db2.gz HNDXGXRKBCOIQE-OAQYLSRUSA-N 1 1 454.958 4.321 20 0 JIADMO COCc1nnc(-c2cccc(C(=O)NC[C@H]3CCCC[N@H+]3Cc3cccc(Cl)c3)c2)o1 ZINC001358478543 1068099777 /nfs/dbraw/zinc/09/97/77/1068099777.db2.gz HNDXGXRKBCOIQE-OAQYLSRUSA-N 1 1 454.958 4.321 20 0 JIADMO Cc1cc(N2C[C@@H](C(=O)NC[C@H]3CCCC[N@@H+]3Cc3cccc(Cl)c3)CC2=O)ccc1F ZINC001358478650 1068101657 /nfs/dbraw/zinc/10/16/57/1068101657.db2.gz KHRAVJFPIBQTMN-SIKLNZKXSA-N 1 1 457.977 4.311 20 0 JIADMO Cc1cc(N2C[C@@H](C(=O)NC[C@H]3CCCC[N@H+]3Cc3cccc(Cl)c3)CC2=O)ccc1F ZINC001358478650 1068101728 /nfs/dbraw/zinc/10/17/28/1068101728.db2.gz KHRAVJFPIBQTMN-SIKLNZKXSA-N 1 1 457.977 4.311 20 0 JIADMO CN(C)CC[NH+]1CCC(NC(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)CC1 ZINC000510213408 1068157865 /nfs/dbraw/zinc/15/78/65/1068157865.db2.gz SYCVZRBTJGBFGF-UHFFFAOYSA-N 1 1 489.498 4.285 20 0 JIADMO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC001473437013 1068169305 /nfs/dbraw/zinc/16/93/05/1068169305.db2.gz ZOWUUHRBWZMBAW-INIZCTEOSA-N 1 1 459.015 4.483 20 0 JIADMO Cc1ccc(Cc2nnc(NC(=O)NCc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)s2)cc1 ZINC000518166019 1068303559 /nfs/dbraw/zinc/30/35/59/1068303559.db2.gz SOECFTKZSSNWBU-KDURUIRLSA-N 1 1 465.623 4.368 20 0 JIADMO COc1ccc(CNc2nnc(SCC(=O)N3CCC[N@@H+](Cc4ccc(C)cc4)CC3)s2)cc1 ZINC000614007486 1068306330 /nfs/dbraw/zinc/30/63/30/1068306330.db2.gz UGHLQKFIAWMKLL-UHFFFAOYSA-N 1 1 497.690 4.294 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc([C@H]4CCCCO4)n3C[C@H](C)SC)CC2)c1 ZINC001300335978 1068310110 /nfs/dbraw/zinc/31/01/10/1068310110.db2.gz XPTHTMNFPSKPAS-CNNODRBYSA-N 1 1 459.660 4.163 20 0 JIADMO Cc1cc(NC(=O)C2CCN(C(=O)NC3CC[NH+](Cc4cccc(C(F)(F)F)c4)CC3)CC2)no1 ZINC000518925475 1068312480 /nfs/dbraw/zinc/31/24/80/1068312480.db2.gz WVOAMPNOLLGYDX-UHFFFAOYSA-N 1 1 493.530 4.027 20 0 JIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC001353547056 1068313051 /nfs/dbraw/zinc/31/30/51/1068313051.db2.gz MZXSASLHPLYZJM-MRXNPFEDSA-N 1 1 458.400 4.250 20 0 JIADMO C[C@@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000520165592 1068321413 /nfs/dbraw/zinc/32/14/13/1068321413.db2.gz OYKANGMVVQOKPE-NQIIRXRSSA-N 1 1 467.664 4.064 20 0 JIADMO C[C@@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000520165594 1068321709 /nfs/dbraw/zinc/32/17/09/1068321709.db2.gz OYKANGMVVQOKPE-WIYYLYMNSA-N 1 1 467.664 4.064 20 0 JIADMO C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000521179832 1068330245 /nfs/dbraw/zinc/33/02/45/1068330245.db2.gz HRKJOICJHBMCID-YLJYHZDGSA-N 1 1 453.637 4.022 20 0 JIADMO COC(=O)c1cc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)ccc1OC ZINC001353567616 1068332886 /nfs/dbraw/zinc/33/28/86/1068332886.db2.gz SPHJIGPMBCBVQJ-BJKOFHAPSA-N 1 1 450.579 4.036 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3nnc(NCc4ccccc4)s3)CC2)cc1 ZINC000524511358 1068353243 /nfs/dbraw/zinc/35/32/43/1068353243.db2.gz ODKJXJIAARXHBM-UHFFFAOYSA-N 1 1 467.664 4.285 20 0 JIADMO COc1cccc(-c2nnc(N(C)C[C@@H]3CCCOC3)n2CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC001300351705 1068363879 /nfs/dbraw/zinc/36/38/79/1068363879.db2.gz PNQKRFPPAOZAFK-VXKWHMMOSA-N 1 1 455.647 4.329 20 0 JIADMO CCOC(=O)Oc1ccc(C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)cc1 ZINC001353632078 1068382637 /nfs/dbraw/zinc/38/26/37/1068382637.db2.gz PRZOLDWDTRCJRM-INIZCTEOSA-N 1 1 457.502 4.426 20 0 JIADMO CCOC(=O)Oc1ccc(C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)cc1 ZINC001353632078 1068382651 /nfs/dbraw/zinc/38/26/51/1068382651.db2.gz PRZOLDWDTRCJRM-INIZCTEOSA-N 1 1 457.502 4.426 20 0 JIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)c1 ZINC001353632022 1068382981 /nfs/dbraw/zinc/38/29/81/1068382981.db2.gz OUGSXLJYGWCERU-AWEZNQCLSA-N 1 1 454.477 4.284 20 0 JIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)c1 ZINC001353632022 1068383003 /nfs/dbraw/zinc/38/30/03/1068383003.db2.gz OUGSXLJYGWCERU-AWEZNQCLSA-N 1 1 454.477 4.284 20 0 JIADMO CCn1cc(C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)c(C(F)(F)F)n1 ZINC001353632749 1068384151 /nfs/dbraw/zinc/38/41/51/1068384151.db2.gz WMGRREUMVXQNSP-ZDUSSCGKSA-N 1 1 455.456 4.126 20 0 JIADMO CCn1cc(C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)c(C(F)(F)F)n1 ZINC001353632749 1068384170 /nfs/dbraw/zinc/38/41/70/1068384170.db2.gz WMGRREUMVXQNSP-ZDUSSCGKSA-N 1 1 455.456 4.126 20 0 JIADMO 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 1068386475 /nfs/dbraw/zinc/38/64/75/1068386475.db2.gz DSNUAJHRWITIRS-ZVDOUQERSA-N 1 1 498.672 4.176 20 0 JIADMO COc1cccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001300361210 1068389364 /nfs/dbraw/zinc/38/93/64/1068389364.db2.gz JIXFXPIGSHACCS-FYYLOGMGSA-N 1 1 455.647 4.183 20 0 JIADMO Cc1cccc(C(C)C)c1NC(=S)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001200405363 1068407109 /nfs/dbraw/zinc/40/71/09/1068407109.db2.gz LQHVEQIKYLCUKD-UHFFFAOYSA-N 1 1 453.656 4.138 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001300377788 1068457723 /nfs/dbraw/zinc/45/77/23/1068457723.db2.gz LMDSKBRPEJJVOV-QFQXNSOFSA-N 1 1 455.647 4.471 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC001300377786 1068457878 /nfs/dbraw/zinc/45/78/78/1068457878.db2.gz LMDSKBRPEJJVOV-HFZDXXHNSA-N 1 1 455.647 4.471 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)n2CCOC(C)C)c1 ZINC001300379766 1068464553 /nfs/dbraw/zinc/46/45/53/1068464553.db2.gz VAQDFENICYRJCH-FCHUYYIVSA-N 1 1 455.647 4.470 20 0 JIADMO O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(F)cc1I)C(F)(F)F ZINC001200425311 1068492129 /nfs/dbraw/zinc/49/21/29/1068492129.db2.gz VVMWNRXBLKJSGQ-JKSUJKDBSA-N 1 1 453.217 4.054 20 0 JIADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)Nc3nnc(-c4ccsc4)s3)CC2)c1C ZINC000503285441 1068495543 /nfs/dbraw/zinc/49/55/43/1068495543.db2.gz STJFZNUUCXDBCW-UHFFFAOYSA-N 1 1 472.640 4.415 20 0 JIADMO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001300404989 1068564935 /nfs/dbraw/zinc/56/49/35/1068564935.db2.gz YAQCIGYPMCPTQF-FJIJXJHWSA-N 1 1 455.647 4.499 20 0 JIADMO COc1cccc(C2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[N@H+]3CCCO)CC2)c1 ZINC001300405582 1068567896 /nfs/dbraw/zinc/56/78/96/1068567896.db2.gz DVHYLTHKEXYQMX-HSZRJFAPSA-N 1 1 469.674 4.106 20 0 JIADMO COc1cccc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001300405842 1068568213 /nfs/dbraw/zinc/56/82/13/1068568213.db2.gz LWKSIJWOERQRHT-JOCHJYFZSA-N 1 1 455.647 4.328 20 0 JIADMO COc1cccc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001300405842 1068568233 /nfs/dbraw/zinc/56/82/33/1068568233.db2.gz LWKSIJWOERQRHT-JOCHJYFZSA-N 1 1 455.647 4.328 20 0 JIADMO COc1cccc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[N@@H+](C)C3CCCC3)CCO2)c1 ZINC001300407134 1068577349 /nfs/dbraw/zinc/57/73/49/1068577349.db2.gz NFBOZGHLJSMYRM-QHCPKHFHSA-N 1 1 455.647 4.328 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)NCCCNc2ccc(C(F)(F)F)cn2)C[C@H](C)O1 ZINC000503410023 1068604689 /nfs/dbraw/zinc/60/46/89/1068604689.db2.gz YQRWFZULXLSJTK-HDICACEKSA-N 1 1 479.547 4.011 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)NCCCNc2ccc(C(F)(F)F)cn2)C[C@H](C)O1 ZINC000503410023 1068604725 /nfs/dbraw/zinc/60/47/25/1068604725.db2.gz YQRWFZULXLSJTK-HDICACEKSA-N 1 1 479.547 4.011 20 0 JIADMO COc1cccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001300417930 1068619602 /nfs/dbraw/zinc/61/96/02/1068619602.db2.gz OTLMSKOJTYTMEU-FYYLOGMGSA-N 1 1 455.647 4.329 20 0 JIADMO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001353844536 1068654074 /nfs/dbraw/zinc/65/40/74/1068654074.db2.gz GJPSQGIHSKWBIW-PMOQBDJRSA-N 1 1 453.583 4.373 20 0 JIADMO COc1cccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001300427179 1068663428 /nfs/dbraw/zinc/66/34/28/1068663428.db2.gz VQHOZGVRWNVDLB-FCEUIQTBSA-N 1 1 498.672 4.178 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001353856893 1068673618 /nfs/dbraw/zinc/67/36/18/1068673618.db2.gz VZCDYXLLPBMDJR-XXBNENTESA-N 1 1 453.583 4.237 20 0 JIADMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC001300434186 1068690348 /nfs/dbraw/zinc/69/03/48/1068690348.db2.gz SSLZTCJARRRCAD-JOCHJYFZSA-N 1 1 453.384 4.024 20 0 JIADMO CC[N@H+]1C[C@H](NC(=O)c2sccc2NC(=O)c2ccc(Br)cc2)C(C)(C)C1 ZINC001472057161 1068701918 /nfs/dbraw/zinc/70/19/18/1068701918.db2.gz OEBVEGZRFPJQMV-INIZCTEOSA-N 1 1 450.402 4.223 20 0 JIADMO COc1cccc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[N@H+](C(C)C)C3)CC2)c1 ZINC001300442910 1068725336 /nfs/dbraw/zinc/72/53/36/1068725336.db2.gz VHBVYHBSUPTGPH-QFIPXVFZSA-N 1 1 468.690 4.322 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCO[C@H]3C(C)C)CC2)c1 ZINC001300449996 1068752330 /nfs/dbraw/zinc/75/23/30/1068752330.db2.gz CQEQAXBDNVGLGI-NVQXNPDNSA-N 1 1 499.700 4.137 20 0 JIADMO COc1ccccc1[C@H](Cn1c(CC(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)OC(C)C ZINC001300458170 1068784376 /nfs/dbraw/zinc/78/43/76/1068784376.db2.gz MKRYEFSWXJYVSH-GJZUVCINSA-N 1 1 499.700 4.341 20 0 JIADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC001200524890 1068820399 /nfs/dbraw/zinc/82/03/99/1068820399.db2.gz QOUUGZIHMAUIPI-OAHLLOKOSA-N 1 1 452.477 4.202 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001492565998 1068821263 /nfs/dbraw/zinc/82/12/63/1068821263.db2.gz KZCNIDPCNUGPTE-PKTZIBPZSA-N 1 1 466.674 4.115 20 0 JIADMO COCCOCc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001354000856 1068827064 /nfs/dbraw/zinc/82/70/64/1068827064.db2.gz YAISJHJTHWVXNA-DEOSSOPVSA-N 1 1 450.604 4.441 20 0 JIADMO COCCOCc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC001354000856 1068827068 /nfs/dbraw/zinc/82/70/68/1068827068.db2.gz YAISJHJTHWVXNA-DEOSSOPVSA-N 1 1 450.604 4.441 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001492568364 1068844250 /nfs/dbraw/zinc/84/42/50/1068844250.db2.gz NKZPCFGYTOLXFU-NHCUHLMSSA-N 1 1 478.607 4.447 20 0 JIADMO Cc1c(C(=O)N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)cnn1-c1cc[nH+]cc1 ZINC001354040824 1068857462 /nfs/dbraw/zinc/85/74/62/1068857462.db2.gz XWDIZJYAXHLEFY-QGZVFWFLSA-N 1 1 457.509 4.387 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(N(C)C(C)=O)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001300492776 1068859255 /nfs/dbraw/zinc/85/92/55/1068859255.db2.gz UWFUIUXJBNMSSS-NRFANRHFSA-N 1 1 482.673 4.055 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CC(C)(C)OC ZINC001300510600 1068887327 /nfs/dbraw/zinc/88/73/27/1068887327.db2.gz VSOZOLIZMSVKJL-GOSISDBHSA-N 1 1 455.628 4.323 20 0 JIADMO COc1cc(S(=O)(=O)Nc2ccccc2C[N@@H+](C)C[C@H](O)c2ccc(Cl)cc2)ccc1F ZINC001200568488 1068910171 /nfs/dbraw/zinc/91/01/71/1068910171.db2.gz AZMPOIXCINVWQE-QFIPXVFZSA-N 1 1 478.973 4.454 20 0 JIADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC001354141175 1068928868 /nfs/dbraw/zinc/92/88/68/1068928868.db2.gz PWIBCOFZMWUHDC-KRWDZBQOSA-N 1 1 458.484 4.301 20 0 JIADMO Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC001354141772 1068929226 /nfs/dbraw/zinc/92/92/26/1068929226.db2.gz SORQQEQRCFYRPS-FQEVSTJZSA-N 1 1 452.599 4.283 20 0 JIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001354146545 1068930205 /nfs/dbraw/zinc/93/02/05/1068930205.db2.gz BVDQNQIJCSVRLD-GMAHTHKFSA-N 1 1 454.014 4.059 20 0 JIADMO CNC(=O)c1cccc(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1 ZINC001354152516 1068933647 /nfs/dbraw/zinc/93/36/47/1068933647.db2.gz JVQNKEOFYQTCKK-IZZNHLLZSA-N 1 1 476.020 4.274 20 0 JIADMO COc1ccccc1C[C@@H](C)N(C)c1nnc(CC(C)C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300528616 1068933884 /nfs/dbraw/zinc/93/38/84/1068933884.db2.gz FAJOOXBVYCBWRD-VSKRKVRLSA-N 1 1 471.690 4.440 20 0 JIADMO Cc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1NC(=O)OC(C)(C)C ZINC001354156333 1068936327 /nfs/dbraw/zinc/93/63/27/1068936327.db2.gz JHSHVMSCVPZCMC-AUSIDOKSSA-N 1 1 453.583 4.361 20 0 JIADMO Cc1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1NC(=O)OC(C)(C)C ZINC001354156333 1068936338 /nfs/dbraw/zinc/93/63/38/1068936338.db2.gz JHSHVMSCVPZCMC-AUSIDOKSSA-N 1 1 453.583 4.361 20 0 JIADMO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300530634 1068940771 /nfs/dbraw/zinc/94/07/71/1068940771.db2.gz PTSZNLCSNPHJTR-NHCUHLMSSA-N 1 1 479.673 4.265 20 0 JIADMO Cc1ccc([C@H]([NH2+]Cc2cccc(C(=O)N(C)C)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001200580532 1068944287 /nfs/dbraw/zinc/94/42/87/1068944287.db2.gz HSUGSYYDRDVYHB-RUZDIDTESA-N 1 1 450.604 4.288 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)OC2CCCC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300548324 1068991590 /nfs/dbraw/zinc/99/15/90/1068991590.db2.gz ZDVPEFNCORGEFW-BGYRXZFFSA-N 1 1 471.646 4.076 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC(C)=C(Br)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001300551752 1069001263 /nfs/dbraw/zinc/00/12/63/1069001263.db2.gz GAIJEQNAMFBUPR-KRWDZBQOSA-N 1 1 474.447 4.239 20 0 JIADMO Cc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@H+](C)C(C)C ZINC001492572024 1069024519 /nfs/dbraw/zinc/02/45/19/1069024519.db2.gz QFXWEWYQSSBNOJ-HXUWFJFHSA-N 1 1 456.635 4.087 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001492588145 1069033502 /nfs/dbraw/zinc/03/35/02/1069033502.db2.gz KOFCMEHMZZWRCY-UFHPHHKVSA-N 1 1 483.701 4.056 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001492589140 1069036813 /nfs/dbraw/zinc/03/68/13/1069036813.db2.gz MMQGUFKBZIRRER-NZQKXSOJSA-N 1 1 482.673 4.013 20 0 JIADMO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001492573885 1069041247 /nfs/dbraw/zinc/04/12/47/1069041247.db2.gz FZCKRJMFUKPPEQ-XMMPIXPASA-N 1 1 494.728 4.143 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849486193 1069051874 /nfs/dbraw/zinc/05/18/74/1069051874.db2.gz JSSAYCFGKSNMIN-SVBPBHIXSA-N 1 1 482.632 4.403 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3nc4ccccc4s3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849482820 1069051983 /nfs/dbraw/zinc/05/19/83/1069051983.db2.gz TVRLXJFWLWHEOA-LEWJYISDSA-N 1 1 451.640 4.250 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)cn1 ZINC000849486817 1069052820 /nfs/dbraw/zinc/05/28/20/1069052820.db2.gz BIXSOTCQUQQFEV-PKTZIBPZSA-N 1 1 483.410 4.436 20 0 JIADMO C[N@H+](CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)Cc1ccccc1 ZINC001300566231 1069056037 /nfs/dbraw/zinc/05/60/37/1069056037.db2.gz ZDDKOJSJTWNNKJ-DHIUTWEWSA-N 1 1 455.574 4.167 20 0 JIADMO C[N@@H+](CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1)Cc1ccccc1 ZINC001300566231 1069056040 /nfs/dbraw/zinc/05/60/40/1069056040.db2.gz ZDDKOJSJTWNNKJ-DHIUTWEWSA-N 1 1 455.574 4.167 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)[C@H](c2cnn(C)c2)C1 ZINC000849488507 1069056350 /nfs/dbraw/zinc/05/63/50/1069056350.db2.gz CLSUMPLPCZDQSA-PMACEKPBSA-N 1 1 452.628 4.083 20 0 JIADMO COc1ccc(CCC2CCN(C(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CC2)cc1 ZINC000849488681 1069056553 /nfs/dbraw/zinc/05/65/53/1069056553.db2.gz IERMPSVTBMXTFC-IZZNHLLZSA-N 1 1 452.643 4.114 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849489737 1069057343 /nfs/dbraw/zinc/05/73/43/1069057343.db2.gz LCDKZXYCFLTDEU-BJKOFHAPSA-N 1 1 475.641 4.248 20 0 JIADMO Cc1ccn2cc(-c3ccc(NC(=O)[C@@H]4CC[N@H+](C(C)C)C[C@@H]4c4cnn(C)c4)cc3)nc2c1 ZINC000849489931 1069057487 /nfs/dbraw/zinc/05/74/87/1069057487.db2.gz IEPFWYXCVBEPFM-DNQXCXABSA-N 1 1 456.594 4.496 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849489741 1069057580 /nfs/dbraw/zinc/05/75/80/1069057580.db2.gz LCDKZXYCFLTDEU-DNQXCXABSA-N 1 1 475.641 4.248 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001300566901 1069059699 /nfs/dbraw/zinc/05/96/99/1069059699.db2.gz GDJZYBBJXCSANT-WIOPSUGQSA-N 1 1 469.674 4.249 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)[C@H](c2cnn(C)c2)C1 ZINC000849493961 1069064685 /nfs/dbraw/zinc/06/46/85/1069064685.db2.gz NUYRGUQXARKAHH-MOPGFXCFSA-N 1 1 460.504 4.077 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)cn1 ZINC000849495396 1069065761 /nfs/dbraw/zinc/06/57/61/1069065761.db2.gz CKKGXWQULIXXTD-JTHBVZDNSA-N 1 1 498.096 4.182 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cn1 ZINC000849494612 1069066999 /nfs/dbraw/zinc/06/69/99/1069066999.db2.gz WQXDYJRTUWUDOO-MOPGFXCFSA-N 1 1 486.498 4.104 20 0 JIADMO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001300569090 1069070007 /nfs/dbraw/zinc/07/00/07/1069070007.db2.gz DPDOCSKKQBQKLA-JOCHJYFZSA-N 1 1 455.480 4.264 20 0 JIADMO CCOC(=O)c1cc2cc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)ccc2s1 ZINC000849500196 1069072127 /nfs/dbraw/zinc/07/21/27/1069072127.db2.gz XGNLXYZETGGVII-PMACEKPBSA-N 1 1 454.596 4.264 20 0 JIADMO Cc1cccc(COc2ccc(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)c1 ZINC000849501124 1069073055 /nfs/dbraw/zinc/07/30/55/1069073055.db2.gz SSXSSTKFZIGBFA-SXOMAYOGSA-N 1 1 460.622 4.438 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccccc2COCc2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849501097 1069073186 /nfs/dbraw/zinc/07/31/86/1069073186.db2.gz SKWVUSXLCFVYKK-KAYWLYCHSA-N 1 1 460.622 4.267 20 0 JIADMO COc1ccc2[nH]cc(C3=CCN(C(=O)[C@H]4CC[N@H+](C(C)C)C[C@@H]4c4cnn(C)c4)CC3)c2c1 ZINC000849502183 1069074841 /nfs/dbraw/zinc/07/48/41/1069074841.db2.gz ZCRRYFOJUDGIJH-WIOPSUGQSA-N 1 1 461.610 4.040 20 0 JIADMO CCCCOc1ccc([C@H](C)NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1OC ZINC000849502805 1069076833 /nfs/dbraw/zinc/07/68/33/1069076833.db2.gz SSOKKXCPAWQCCY-AJSBUHFISA-N 1 1 456.631 4.299 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(COCCOc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849504345 1069080487 /nfs/dbraw/zinc/08/04/87/1069080487.db2.gz OKEWZYSBCSRORI-SVBPBHIXSA-N 1 1 476.621 4.468 20 0 JIADMO COc1cc([C@H](C)NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1OCc1ccncc1 ZINC000849504357 1069080624 /nfs/dbraw/zinc/08/06/24/1069080624.db2.gz OQWMOJKRPBEGAB-KSNOWIBYSA-N 1 1 491.636 4.094 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849504029 1069082512 /nfs/dbraw/zinc/08/25/12/1069082512.db2.gz BBYDIYSFKKDHGE-ISKFKSNPSA-N 1 1 465.642 4.277 20 0 JIADMO CCOc1cc(Br)c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1OCC ZINC000849504698 1069084643 /nfs/dbraw/zinc/08/46/43/1069084643.db2.gz DMPHOECCUDKIBH-ZWKOTPCHSA-N 1 1 493.446 4.433 20 0 JIADMO CN(C(=O)c1ccc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc1Cl)C1CCCCC1 ZINC000849506161 1069085456 /nfs/dbraw/zinc/08/54/56/1069085456.db2.gz VBMGPLRPSHJXQR-RBBKRZOGSA-N 1 1 472.033 4.152 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849505737 1069086220 /nfs/dbraw/zinc/08/62/20/1069086220.db2.gz JBCAPDAQNUIDTN-UIOOFZCWSA-N 1 1 465.686 4.317 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cn1 ZINC000849507256 1069087998 /nfs/dbraw/zinc/08/79/98/1069087998.db2.gz BTPLTIMNEXVUFZ-RJGXRXQPSA-N 1 1 467.411 4.124 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300573639 1069090436 /nfs/dbraw/zinc/09/04/36/1069090436.db2.gz JOUPYTAZBKIBCK-UGKGYDQZSA-N 1 1 495.590 4.013 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000849510153 1069091888 /nfs/dbraw/zinc/09/18/88/1069091888.db2.gz OJPAOEQBEPIHLX-KKUQBAQOSA-N 1 1 464.585 4.288 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849511333 1069093961 /nfs/dbraw/zinc/09/39/61/1069093961.db2.gz PHRHJGPZEXKKDH-YADHBBJMSA-N 1 1 469.630 4.240 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849511709 1069096546 /nfs/dbraw/zinc/09/65/46/1069096546.db2.gz SUKCPAIBVIPMFC-DQEYMECFSA-N 1 1 465.642 4.069 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849513301 1069097183 /nfs/dbraw/zinc/09/71/83/1069097183.db2.gz BCUYBCVIQUZPEQ-VXKWHMMOSA-N 1 1 467.614 4.170 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849513300 1069097407 /nfs/dbraw/zinc/09/74/07/1069097407.db2.gz BCUYBCVIQUZPEQ-FGZHOGPDSA-N 1 1 467.614 4.170 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849514914 1069099884 /nfs/dbraw/zinc/09/98/84/1069099884.db2.gz JRVQJOTZBMOKQU-LOSJGSFVSA-N 1 1 496.633 4.069 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849516359 1069100582 /nfs/dbraw/zinc/10/05/82/1069100582.db2.gz KATNRGISYSDGMY-ROUUACIJSA-N 1 1 475.424 4.424 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccccc2NC(=O)c2cccs2)[C@@H](c2cnn(C)c2)C1 ZINC000849516416 1069100846 /nfs/dbraw/zinc/10/08/46/1069100846.db2.gz PHVXKLQDUMGWKM-RBUKOAKNSA-N 1 1 451.596 4.187 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849516295 1069101584 /nfs/dbraw/zinc/10/15/84/1069101584.db2.gz HMMCAVRMGFXUSW-ZWSUVBHBSA-N 1 1 473.621 4.364 20 0 JIADMO Cc1cccc(-c2cc(NC(=O)[C@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)n(-c3ccccc3)n2)c1 ZINC000849517456 1069103441 /nfs/dbraw/zinc/10/34/41/1069103441.db2.gz NXLFGPXPLUQFNY-ZEQRLZLVSA-N 1 1 454.578 4.255 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849517990 1069105982 /nfs/dbraw/zinc/10/59/82/1069105982.db2.gz MQZZDHCDHDSXMQ-BJKOFHAPSA-N 1 1 463.651 4.497 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849520486 1069113373 /nfs/dbraw/zinc/11/33/73/1069113373.db2.gz NHKUYKBXJGDPRR-GOTSBHOMSA-N 1 1 477.584 4.193 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)cn1 ZINC000849520617 1069113539 /nfs/dbraw/zinc/11/35/39/1069113539.db2.gz XRLJWKHLXZVURF-PMACEKPBSA-N 1 1 470.371 4.044 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccccc2NC(=O)Cc2cccs2)[C@@H](c2cnn(C)c2)C1 ZINC000849522902 1069115820 /nfs/dbraw/zinc/11/58/20/1069115820.db2.gz QAOHSWPPEINELS-LEWJYISDSA-N 1 1 465.623 4.115 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849522705 1069116320 /nfs/dbraw/zinc/11/63/20/1069116320.db2.gz NKRSJHYAQPQGCY-UNMCSNQZSA-N 1 1 472.033 4.152 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)cn1 ZINC000849524530 1069119095 /nfs/dbraw/zinc/11/90/95/1069119095.db2.gz ISPITRXDIHPYMV-ISKFKSNPSA-N 1 1 477.653 4.344 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849526288 1069121273 /nfs/dbraw/zinc/12/12/73/1069121273.db2.gz RJSDIFTWQGSEGC-RPWUZVMVSA-N 1 1 495.668 4.238 20 0 JIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1nc(Br)ccc1Br ZINC001354339590 1069123209 /nfs/dbraw/zinc/12/32/09/1069123209.db2.gz OLOXUQZOKDOHLK-CYBMUJFWSA-N 1 1 457.166 4.157 20 0 JIADMO 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 1069125944 /nfs/dbraw/zinc/12/59/44/1069125944.db2.gz GNPDUWUZGLZCDZ-BJKOFHAPSA-N 1 1 481.641 4.166 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849526675 1069126081 /nfs/dbraw/zinc/12/60/81/1069126081.db2.gz SQXBXODIPCZBFP-HBGVWJBISA-N 1 1 479.488 4.294 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)[C@H](c2cnn(C)c2)C1 ZINC000849527948 1069127470 /nfs/dbraw/zinc/12/74/70/1069127470.db2.gz XWTSWYPYSMSDOP-PKTZIBPZSA-N 1 1 480.634 4.300 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cn1 ZINC000849527988 1069128384 /nfs/dbraw/zinc/12/83/84/1069128384.db2.gz YFWDARLABRMMBH-KKUQBAQOSA-N 1 1 471.605 4.071 20 0 JIADMO Cc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)nn1-c1ccc(Cl)cc1Cl ZINC001354349210 1069130520 /nfs/dbraw/zinc/13/05/20/1069130520.db2.gz YSIRGIWFRAEYKJ-UHFFFAOYSA-N 1 1 451.398 4.252 20 0 JIADMO CC(C)Cn1cc([C@H]2N(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC23CCOCC3)cn1 ZINC000849535134 1069149289 /nfs/dbraw/zinc/14/92/89/1069149289.db2.gz CRCIALIVOABEPB-LOSJGSFVSA-N 1 1 468.617 4.413 20 0 JIADMO CC(C)Cn1cc([C@H]2N(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC23CCOCC3)cn1 ZINC000849535134 1069149299 /nfs/dbraw/zinc/14/92/99/1069149299.db2.gz CRCIALIVOABEPB-LOSJGSFVSA-N 1 1 468.617 4.413 20 0 JIADMO COc1ccccc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001300591238 1069154894 /nfs/dbraw/zinc/15/48/94/1069154894.db2.gz JYZFGEOMDRNPMC-AJTFRIOCSA-N 1 1 485.673 4.084 20 0 JIADMO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c1C ZINC000849546961 1069184042 /nfs/dbraw/zinc/18/40/42/1069184042.db2.gz CHXWVVOGUMEBMC-ZWKOTPCHSA-N 1 1 461.397 4.203 20 0 JIADMO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c1C ZINC000849546955 1069184855 /nfs/dbraw/zinc/18/48/55/1069184855.db2.gz CHXWVVOGUMEBMC-MSOLQXFVSA-N 1 1 461.397 4.203 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cn1 ZINC000849546881 1069185195 /nfs/dbraw/zinc/18/51/95/1069185195.db2.gz DEESGZAAZABJJB-ZWKOTPCHSA-N 1 1 477.462 4.439 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849550352 1069189512 /nfs/dbraw/zinc/18/95/12/1069189512.db2.gz ZFTIGGCBOXQRJP-BJKOFHAPSA-N 1 1 456.656 4.285 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849549694 1069190492 /nfs/dbraw/zinc/19/04/92/1069190492.db2.gz VTIZEDFLHWRBLU-DLBZAZTESA-N 1 1 458.912 4.467 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC2(c3cccc(Br)c3)CCCCC2)cn1 ZINC000849552154 1069193411 /nfs/dbraw/zinc/19/34/11/1069193411.db2.gz HFEXGUSVKNYOKE-LEWJYISDSA-N 1 1 459.432 4.194 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849553344 1069194817 /nfs/dbraw/zinc/19/48/17/1069194817.db2.gz IYBNWGJHYWNTDS-VQTJNVASSA-N 1 1 460.557 4.351 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccccc2Cl)c2cc(F)ccc2F)cn1 ZINC000849551690 1069194849 /nfs/dbraw/zinc/19/48/49/1069194849.db2.gz BLMRIVCPHQNOIS-KPDCDPCYSA-N 1 1 458.940 4.293 20 0 JIADMO COc1ccccc1-n1c2ccccc2nc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849556108 1069202026 /nfs/dbraw/zinc/20/20/26/1069202026.db2.gz VMBZHNCQPZTUCP-SFTDATJTSA-N 1 1 472.593 4.220 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849555803 1069202375 /nfs/dbraw/zinc/20/23/75/1069202375.db2.gz TYCXSNIOGFHZFW-FGZHOGPDSA-N 1 1 462.560 4.491 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849557179 1069203291 /nfs/dbraw/zinc/20/32/91/1069203291.db2.gz GBHGIIFWKDPFKR-SJORKVTESA-N 1 1 473.832 4.389 20 0 JIADMO 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 1069207591 /nfs/dbraw/zinc/20/75/91/1069207591.db2.gz YBEAEJQUNTXLDF-BAGYTPMASA-N 1 1 466.548 4.227 20 0 JIADMO Cc1sc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)nc1-c1ccc(Br)cc1 ZINC000849562055 1069211376 /nfs/dbraw/zinc/21/13/76/1069211376.db2.gz JCUVFWZOKBNRLE-MSOLQXFVSA-N 1 1 474.428 4.289 20 0 JIADMO CC(C)Oc1ccc(Br)cc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849562852 1069212945 /nfs/dbraw/zinc/21/29/45/1069212945.db2.gz HLCWGLZOOGGBJM-OALUTQOASA-N 1 1 463.420 4.422 20 0 JIADMO CC(C)Oc1ccc(Br)cc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849562850 1069213008 /nfs/dbraw/zinc/21/30/08/1069213008.db2.gz HLCWGLZOOGGBJM-MOPGFXCFSA-N 1 1 463.420 4.422 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849562944 1069213092 /nfs/dbraw/zinc/21/30/92/1069213092.db2.gz HYEKFMHMSNJZIL-RPWUZVMVSA-N 1 1 469.593 4.325 20 0 JIADMO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849562944 1069213104 /nfs/dbraw/zinc/21/31/04/1069213104.db2.gz HYEKFMHMSNJZIL-RPWUZVMVSA-N 1 1 469.593 4.325 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849562944 1069213123 /nfs/dbraw/zinc/21/31/23/1069213123.db2.gz HYEKFMHMSNJZIL-RPWUZVMVSA-N 1 1 469.593 4.325 20 0 JIADMO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849562944 1069213128 /nfs/dbraw/zinc/21/31/28/1069213128.db2.gz HYEKFMHMSNJZIL-RPWUZVMVSA-N 1 1 469.593 4.325 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849562944 1069213161 /nfs/dbraw/zinc/21/31/61/1069213161.db2.gz HYEKFMHMSNJZIL-RPWUZVMVSA-N 1 1 469.593 4.325 20 0 JIADMO COc1ccccc1CSc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849565958 1069217187 /nfs/dbraw/zinc/21/71/87/1069217187.db2.gz XQFULCKSKZXYRU-RTWAWAEBSA-N 1 1 450.608 4.395 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2ccccc2OC)cc1 ZINC000849567544 1069219702 /nfs/dbraw/zinc/21/97/02/1069219702.db2.gz HKEMAAXSOQZZOA-RELGLDOUSA-N 1 1 476.621 4.157 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)c3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849568881 1069220157 /nfs/dbraw/zinc/22/01/57/1069220157.db2.gz QKPCMHGMOSPTQI-JWQCQUIFSA-N 1 1 457.622 4.287 20 0 JIADMO 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 1069221771 /nfs/dbraw/zinc/22/17/71/1069221771.db2.gz IKTXUVLVPUHLDS-ABSDTBQOSA-N 1 1 454.924 4.395 20 0 JIADMO CCOC(=O)c1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)ccc1Sc1ccccc1 ZINC000849571301 1069222152 /nfs/dbraw/zinc/22/21/52/1069222152.db2.gz FJCFHECQXGSUEZ-JTHBVZDNSA-N 1 1 478.618 4.422 20 0 JIADMO CCOC(=O)c1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)ccc1Sc1ccccc1 ZINC000849571298 1069222235 /nfs/dbraw/zinc/22/22/35/1069222235.db2.gz FJCFHECQXGSUEZ-FYYLOGMGSA-N 1 1 478.618 4.422 20 0 JIADMO 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 1069222744 /nfs/dbraw/zinc/22/27/44/1069222744.db2.gz OCSGDZKLMYCVCK-HZPDHXFCSA-N 1 1 484.473 4.403 20 0 JIADMO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)[C@@H](c2cnn(C)c2)C1 ZINC000849572329 1069222760 /nfs/dbraw/zinc/22/27/60/1069222760.db2.gz OCSGDZKLMYCVCK-HZPDHXFCSA-N 1 1 484.473 4.403 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)[C@@H](c2cnn(C)c2)C1 ZINC000849572329 1069222776 /nfs/dbraw/zinc/22/27/76/1069222776.db2.gz OCSGDZKLMYCVCK-HZPDHXFCSA-N 1 1 484.473 4.403 20 0 JIADMO C[N@H+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C2(CCCCC2)C1 ZINC001354440685 1069223248 /nfs/dbraw/zinc/22/32/48/1069223248.db2.gz JGKPBCXZWNTAJJ-SFHVURJKSA-N 1 1 452.426 4.323 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)cn1 ZINC000849571550 1069223445 /nfs/dbraw/zinc/22/34/45/1069223445.db2.gz JGPJPQFAKDSGOA-ZEQRLZLVSA-N 1 1 481.438 4.447 20 0 JIADMO CCn1c2cc(Br)ccc2nc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849572042 1069223600 /nfs/dbraw/zinc/22/36/00/1069223600.db2.gz MTKJTAHKJSXJGB-ZWKOTPCHSA-N 1 1 473.419 4.005 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)SC)CC1 ZINC001300614496 1069225762 /nfs/dbraw/zinc/22/57/62/1069225762.db2.gz CSHICRUTBPVCCV-XKCSPQBFSA-N 1 1 487.714 4.279 20 0 JIADMO 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 1069226407 /nfs/dbraw/zinc/22/64/07/1069226407.db2.gz JVWGCOASWIYCEX-WXFUMESZSA-N 1 1 486.538 4.389 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCCNc2ccccn2)CC1 ZINC001300615170 1069227940 /nfs/dbraw/zinc/22/79/40/1069227940.db2.gz PXMFHVKGMUNEFZ-UHFFFAOYSA-N 1 1 477.657 4.095 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001300615379 1069228701 /nfs/dbraw/zinc/22/87/01/1069228701.db2.gz SVFDDLFQHYIVIN-HHHXNRCGSA-N 1 1 469.674 4.139 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849576123 1069229085 /nfs/dbraw/zinc/22/90/85/1069229085.db2.gz GVBOFPMNEKKXFY-LSDHHAIUSA-N 1 1 462.982 4.184 20 0 JIADMO 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 1069230617 /nfs/dbraw/zinc/23/06/17/1069230617.db2.gz XNFZGRRLILUWTF-VDZJLULYSA-N 1 1 474.474 4.255 20 0 JIADMO 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 1069232668 /nfs/dbraw/zinc/23/26/68/1069232668.db2.gz FLQPKBGHQQLOHE-RTWAWAEBSA-N 1 1 450.549 4.347 20 0 JIADMO COc1ccccc1O[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300618380 1069235366 /nfs/dbraw/zinc/23/53/66/1069235366.db2.gz DBDQEMRHVOTRKG-IBGZPJMESA-N 1 1 485.032 4.390 20 0 JIADMO Cc1cccnc1C(F)(F)C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC001354463618 1069238260 /nfs/dbraw/zinc/23/82/60/1069238260.db2.gz VOSLFCYEBCOPAB-UHFFFAOYSA-N 1 1 450.533 4.438 20 0 JIADMO COc1cc(OC)cc(Oc2ccc(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)c1 ZINC000849588056 1069239752 /nfs/dbraw/zinc/23/97/52/1069239752.db2.gz OXKPIOUFPZAGGW-RRPNLBNLSA-N 1 1 492.620 4.360 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849588569 1069241248 /nfs/dbraw/zinc/24/12/48/1069241248.db2.gz ROTINXWKLPHDHB-ZWKOTPCHSA-N 1 1 456.484 4.343 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849589405 1069241367 /nfs/dbraw/zinc/24/13/67/1069241367.db2.gz RCTXWZBCIGUABP-RJGXRXQPSA-N 1 1 488.474 4.100 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)cn1 ZINC000849591654 1069244660 /nfs/dbraw/zinc/24/46/60/1069244660.db2.gz KDCFIQSCCOEXHN-ZSXPUABSSA-N 1 1 457.416 4.291 20 0 JIADMO COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)c1 ZINC000849593505 1069244898 /nfs/dbraw/zinc/24/48/98/1069244898.db2.gz UJPZTPJDRHZAER-SVBPBHIXSA-N 1 1 492.620 4.360 20 0 JIADMO 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 1069245386 /nfs/dbraw/zinc/24/53/86/1069245386.db2.gz TUXYVJCKRKEAJB-QMMLZNLJSA-N 1 1 450.549 4.342 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc3cc(Br)cnc32)[C@H](c2cnn(C)c2)C1 ZINC000849594347 1069245712 /nfs/dbraw/zinc/24/57/12/1069245712.db2.gz WXXULTGLTZXFNH-MOPGFXCFSA-N 1 1 456.388 4.183 20 0 JIADMO 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 1069247715 /nfs/dbraw/zinc/24/77/15/1069247715.db2.gz ZEEIQCOCWFBODJ-ROUUACIJSA-N 1 1 462.438 4.152 20 0 JIADMO CCCCS(=O)(=O)Nc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC001200678356 1069256573 /nfs/dbraw/zinc/25/65/73/1069256573.db2.gz LBQIABFTLYFZQT-QFIPXVFZSA-N 1 1 450.649 4.395 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(Cc3nc4ccccc4[nH]3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849603793 1069261455 /nfs/dbraw/zinc/26/14/55/1069261455.db2.gz GXDUPQSOGNBZFC-GOTSBHOMSA-N 1 1 456.594 4.340 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(CCc3ccc(F)cc3F)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849605648 1069263399 /nfs/dbraw/zinc/26/33/99/1069263399.db2.gz JMFHADRROXAEOI-BJKOFHAPSA-N 1 1 458.597 4.384 20 0 JIADMO COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849608981 1069266936 /nfs/dbraw/zinc/26/69/36/1069266936.db2.gz RIPBTJXYRGTZBS-CBQOVEMMSA-N 1 1 459.034 4.432 20 0 JIADMO COc1ccccc1OCc1nnc(N(C)Cc2nccs2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001300629773 1069273162 /nfs/dbraw/zinc/27/31/62/1069273162.db2.gz DAIRNTAFBUNRTK-LJQANCHMSA-N 1 1 470.643 4.079 20 0 JIADMO COc1ccccc1OCc1nnc(N(C)CC2CC(F)(F)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001300631812 1069281344 /nfs/dbraw/zinc/28/13/44/1069281344.db2.gz SKNKLZMMMMPGGW-RTBURBONSA-N 1 1 477.600 4.468 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)CCc2cccs2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001492577806 1069286775 /nfs/dbraw/zinc/28/67/75/1069286775.db2.gz XHJGHMOANWMZJQ-JOCHJYFZSA-N 1 1 467.683 4.419 20 0 JIADMO Cc1ccccc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001492591368 1069302826 /nfs/dbraw/zinc/30/28/26/1069302826.db2.gz BCALFVANRTWCMG-JOCHJYFZSA-N 1 1 469.033 4.175 20 0 JIADMO CCS(=O)(=O)c1cc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164628374 719114493 /nfs/dbraw/zinc/11/44/93/719114493.db2.gz MNLPPHYYYHOMDK-MJGOQNOKSA-N 1 1 469.985 4.174 20 0 JIADMO CCS(=O)(=O)c1cc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164628374 719114500 /nfs/dbraw/zinc/11/45/00/719114500.db2.gz MNLPPHYYYHOMDK-MJGOQNOKSA-N 1 1 469.985 4.174 20 0 JIADMO c1sc([C@H]2C[C@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3O2)nc1C1CC1 ZINC001164645733 719288247 /nfs/dbraw/zinc/28/82/47/719288247.db2.gz LIVJUCIOTRAPJN-IEXUWNMDSA-N 1 1 459.619 4.335 20 0 JIADMO c1sc([C@H]2C[C@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C[C@@H]3O2)nc1C1CC1 ZINC001164645733 719288251 /nfs/dbraw/zinc/28/82/51/719288251.db2.gz LIVJUCIOTRAPJN-IEXUWNMDSA-N 1 1 459.619 4.335 20 0 JIADMO c1sc([C@H]2C[C@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@H]3O2)nc1C1CC1 ZINC001164645737 719288310 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720562446 /nfs/dbraw/zinc/56/24/46/720562446.db2.gz ZBUWLQWOXVBLPZ-HBFSDRIKSA-N 1 1 460.022 4.265 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840840 720590438 /nfs/dbraw/zinc/59/04/38/720590438.db2.gz QYJTUOCOEQBAKY-DSNGMDLFSA-N 1 1 468.605 4.299 20 0 JIADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164842717 720601186 /nfs/dbraw/zinc/60/11/86/720601186.db2.gz VFYNZXLDRZPIHN-VAMGGRTRSA-N 1 1 482.654 4.059 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835662 720622754 /nfs/dbraw/zinc/62/27/54/720622754.db2.gz CHAPKMDFJQDWPV-KAQDMCDHSA-N 1 1 485.007 4.499 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(-c4nc(-c5cccs5)no4)ccn3)CC[C@@H]21 ZINC001164840780 720626343 /nfs/dbraw/zinc/62/63/43/720626343.db2.gz QSCMONRRJKLBMR-ACRUOGEOSA-N 1 1 475.622 4.434 20 0 JIADMO 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 720635559 /nfs/dbraw/zinc/63/55/59/720635559.db2.gz YKKWCGBFYUSHJO-ZJOUEHCJSA-N 1 1 460.022 4.265 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cncc(OCc4cccc(Cl)c4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840146 720639282 /nfs/dbraw/zinc/63/92/82/720639282.db2.gz PDOJPPKSGXHBIX-ACIOBRDBSA-N 1 1 467.017 4.283 20 0 JIADMO CCOC(=O)c1sc2ncnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1C ZINC001164843763 720657853 /nfs/dbraw/zinc/65/78/53/720657853.db2.gz XVKJEVVRSSSHCZ-FQEVSTJZSA-N 1 1 480.634 4.436 20 0 JIADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837591 720662765 /nfs/dbraw/zinc/66/27/65/720662765.db2.gz DGBFBCMIEDZNDU-HXUWFJFHSA-N 1 1 458.002 4.480 20 0 JIADMO CCOC(=O)c1ccc2ncnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164841938 720690156 /nfs/dbraw/zinc/69/01/56/720690156.db2.gz KJPGRBBPTGCJGR-QFIPXVFZSA-N 1 1 460.578 4.066 20 0 JIADMO CCOC(Cc1c(Cl)ncnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1)OCC ZINC001164844818 720690867 /nfs/dbraw/zinc/69/08/67/720690867.db2.gz UZMXSCLYBPHGAX-NRFANRHFSA-N 1 1 489.060 4.332 20 0 JIADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164845372 720692113 /nfs/dbraw/zinc/69/21/13/720692113.db2.gz YXSXNFAIQZDDAZ-FQEVSTJZSA-N 1 1 480.996 4.330 20 0 JIADMO COC(=O)c1cc2c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)[nH]c(Cl)cc-2n1 ZINC001164837682 720703928 /nfs/dbraw/zinc/70/39/28/720703928.db2.gz GMFJPBAKQZDEKN-SFHVURJKSA-N 1 1 468.985 4.263 20 0 JIADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837675 720712315 /nfs/dbraw/zinc/71/23/15/720712315.db2.gz GFVFLCPARXEVHG-GOSISDBHSA-N 1 1 479.955 4.326 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(-c3ccncc3)nc3c1CCC3)CC2 ZINC001164839016 720719795 /nfs/dbraw/zinc/71/97/95/720719795.db2.gz KHFLAWDQKPCPSL-HSZRJFAPSA-N 1 1 455.606 4.287 20 0 JIADMO O=C(NCc1ccccc1)c1nc2c(s1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164843439 720746071 /nfs/dbraw/zinc/74/60/71/720746071.db2.gz JURWXZDNMULURC-UHFFFAOYSA-N 1 1 482.053 4.323 20 0 JIADMO CC[C@H]1N(c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)CCC[C@@]12CCC(=O)N2 ZINC001164845081 720754951 /nfs/dbraw/zinc/75/49/51/720754951.db2.gz DHSHRRYZCLADIN-FQRUVTKNSA-N 1 1 467.683 4.440 20 0 JIADMO c1c(-c2ccccc2)c2c(ncnc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1-c1ccccc1 ZINC001164740401 720763318 /nfs/dbraw/zinc/76/33/18/720763318.db2.gz KTCTXLZEARTNQO-ZEQRLZLVSA-N 1 1 489.583 4.219 20 0 JIADMO c1csc(-c2nc3sc4c(c3c(N3CC[N@H+]5C[C@H](Oc6cncnc6)C[C@H]5C3)n2)CCC4)c1 ZINC001164738278 720764818 /nfs/dbraw/zinc/76/48/18/720764818.db2.gz FIFWHKANGNRCFG-JKSUJKDBSA-N 1 1 476.631 4.040 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CC[C@@H]5O[C@H](COCc6ccccn6)CC[C@@H]54)ccc3C2)cc1 ZINC001164849430 720772327 /nfs/dbraw/zinc/77/23/27/720772327.db2.gz SHWLQJPUIZNKSU-MYKRZTLLSA-N 1 1 470.617 4.378 20 0 JIADMO COC[C@]12CCCO[C@H]1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164847650 720828129 /nfs/dbraw/zinc/82/81/29/720828129.db2.gz JYJRXANGLINCRY-NBGIEHNGSA-N 1 1 456.656 4.188 20 0 JIADMO FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739390 720838263 /nfs/dbraw/zinc/83/82/63/720838263.db2.gz ADGXCOBXJJXKOI-NNMXDRDESA-N 1 1 472.971 4.404 20 0 JIADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746616 720848352 /nfs/dbraw/zinc/84/83/52/720848352.db2.gz POZMXKDVUSHHJY-TXTKFYIRSA-N 1 1 499.997 4.313 20 0 JIADMO Clc1ccc(-c2nc3c(c(N4CC[C@@H]5[C@@H](C[C@@H](Cn6cncn6)[N@H+]5CC5CC5)C4)n2)CCC3)s1 ZINC001164748120 720853377 /nfs/dbraw/zinc/85/33/77/720853377.db2.gz KHOJXJCFKFNCLA-BBTUJRGHSA-N 1 1 496.084 4.318 20 0 JIADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751210 720857747 /nfs/dbraw/zinc/85/77/47/720857747.db2.gz QRTLTDZGFLGKHF-DJPFJPOOSA-N 1 1 472.971 4.446 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)nc4cc(Cl)ccc43)CC[C@@H]2C1 ZINC001164861560 720861858 /nfs/dbraw/zinc/86/18/58/720861858.db2.gz XXSOLPXLHPKDSK-WZONZLPQSA-N 1 1 470.976 4.263 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)CC[C@H]2C1 ZINC001164853032 720862456 /nfs/dbraw/zinc/86/24/56/720862456.db2.gz GFBACQKKIBHNON-WMZHIEFXSA-N 1 1 452.986 4.124 20 0 JIADMO CCOC(=O)c1cnc(Cl)cc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755912 720869757 /nfs/dbraw/zinc/86/97/57/720869757.db2.gz ZYFYBWQKNPVTFP-LVXARBLLSA-N 1 1 485.028 4.062 20 0 JIADMO COCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(-c2ccccc2)n1 ZINC001164748506 720873411 /nfs/dbraw/zinc/87/34/11/720873411.db2.gz FPZLSPRUTAGBAF-FREGXXQWSA-N 1 1 499.659 4.440 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)CC[C@@H]2C1 ZINC001164862925 720874206 /nfs/dbraw/zinc/87/42/06/720874206.db2.gz SATLLVCVDMCMSH-XXBNENTESA-N 1 1 452.986 4.124 20 0 JIADMO Cc1sc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1C ZINC001164748557 720875468 /nfs/dbraw/zinc/87/54/68/720875468.db2.gz FWRWMZCZNZIHKV-NVQXNPDNSA-N 1 1 463.651 4.458 20 0 JIADMO Clc1nc2c(c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CSCC2 ZINC001164748024 720876248 /nfs/dbraw/zinc/87/62/48/720876248.db2.gz DIPMRBPJHPGTJO-NBGIEHNGSA-N 1 1 486.085 4.069 20 0 JIADMO CSc1ncc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755493 720877181 /nfs/dbraw/zinc/87/71/81/720877181.db2.gz XXKIPMWLOSJKQT-WMZHIEFXSA-N 1 1 460.047 4.002 20 0 JIADMO Cc1nc(Cl)cc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753490 720877796 /nfs/dbraw/zinc/87/77/96/720877796.db2.gz POTWVVOHLNOEHB-OFNKIYASSA-N 1 1 477.987 4.133 20 0 JIADMO Clc1cc2[nH]ccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753419 720878374 /nfs/dbraw/zinc/87/83/74/720878374.db2.gz PJRJDLSWVXRTAX-NBGIEHNGSA-N 1 1 452.002 4.366 20 0 JIADMO COc1ccc2c(ccnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164752969 720879174 /nfs/dbraw/zinc/87/91/74/720879174.db2.gz OADBZNDJSBWVFB-RBJSKKJNSA-N 1 1 458.606 4.394 20 0 JIADMO Clc1cccc2ncc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164752953 720879256 /nfs/dbraw/zinc/87/92/56/720879256.db2.gz NPVGZNMACHNFOY-RLWLMLJZSA-N 1 1 464.013 4.433 20 0 JIADMO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753820 720881460 /nfs/dbraw/zinc/88/14/60/720881460.db2.gz QBDZVVLJMUWEDD-QDSKXPNFSA-N 1 1 460.981 4.013 20 0 JIADMO CC1(C)OCc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752958 720881565 /nfs/dbraw/zinc/88/15/65/720881565.db2.gz NRFHZRJEITWFMH-FQRUVTKNSA-N 1 1 484.044 4.045 20 0 JIADMO COc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c1 ZINC001164753217 720882595 /nfs/dbraw/zinc/88/25/95/720882595.db2.gz GDEQKFUBUPHRJN-RBJSKKJNSA-N 1 1 458.606 4.394 20 0 JIADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755053 720882922 /nfs/dbraw/zinc/88/29/22/720882922.db2.gz KLDMUOHGAGNSTL-CUNXSJBXSA-N 1 1 499.055 4.370 20 0 JIADMO Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(Cl)n1 ZINC001164757202 720882995 /nfs/dbraw/zinc/88/29/95/720882995.db2.gz UHSSROZWASTDOP-REWPJTCUSA-N 1 1 477.987 4.133 20 0 JIADMO Clc1ccc2c(c1)ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755076 720883251 /nfs/dbraw/zinc/88/32/51/720883251.db2.gz KOOXACNFTHYXMN-QFQXNSOFSA-N 1 1 464.013 4.433 20 0 JIADMO Clc1cccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cnc12 ZINC001164752603 720883336 /nfs/dbraw/zinc/88/33/36/720883336.db2.gz FLFJFEWHZJXHOU-RLWLMLJZSA-N 1 1 464.013 4.433 20 0 JIADMO COc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(Cl)nc2c1 ZINC001164757139 720884665 /nfs/dbraw/zinc/88/46/65/720884665.db2.gz SWUUAKTYQJTABU-IDISGSTGSA-N 1 1 494.039 4.442 20 0 JIADMO COc1cc2c(cc1Cl)ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756273 720891135 /nfs/dbraw/zinc/89/11/35/720891135.db2.gz OZWJJKOXNQDKSM-KDYSTLNUSA-N 1 1 494.039 4.442 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C)c4)c3)CC[C@@H]2C1 ZINC001164860201 720892425 /nfs/dbraw/zinc/89/24/25/720892425.db2.gz UGNNCTGYXFIUOH-DENIHFKCSA-N 1 1 465.972 4.429 20 0 JIADMO Clc1ccc2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2n1 ZINC001164754357 720893011 /nfs/dbraw/zinc/89/30/11/720893011.db2.gz INZNOPVMXZHNOI-GJZUVCINSA-N 1 1 464.013 4.433 20 0 JIADMO COc1cc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1OC ZINC001164754570 720893020 /nfs/dbraw/zinc/89/30/20/720893020.db2.gz JLUWEBPWLYDZRB-GIGWZHCTSA-N 1 1 488.632 4.402 20 0 JIADMO COc1cc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1OC ZINC001164754570 720893022 /nfs/dbraw/zinc/89/30/22/720893022.db2.gz JLUWEBPWLYDZRB-GIGWZHCTSA-N 1 1 488.632 4.402 20 0 JIADMO COc1ccc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164758157 720894475 /nfs/dbraw/zinc/89/44/75/720894475.db2.gz XFOJOJHSTTUIFQ-RDPSFJRHSA-N 1 1 492.998 4.439 20 0 JIADMO Nc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164752529 720895023 /nfs/dbraw/zinc/89/50/23/720895023.db2.gz DXJTVKGHKDVNSA-AUSIDOKSSA-N 1 1 477.987 4.012 20 0 JIADMO Cc1nc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(Cl)c1C ZINC001164758510 720896498 /nfs/dbraw/zinc/89/64/98/720896498.db2.gz YVQIVICUIOQFGD-ZJSXRUAMSA-N 1 1 492.014 4.442 20 0 JIADMO Clc1ccnc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc12 ZINC001164757143 720896776 /nfs/dbraw/zinc/89/67/76/720896776.db2.gz SYEOYPOXNUPLNF-HFZDXXHNSA-N 1 1 464.013 4.433 20 0 JIADMO COc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccccc21 ZINC001164751762 720899346 /nfs/dbraw/zinc/89/93/46/720899346.db2.gz DLHYRYSGXVHRCF-LXFBAYGMSA-N 1 1 458.606 4.394 20 0 JIADMO CC(C)(C)c1nc2[nH]ccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755710 720904181 /nfs/dbraw/zinc/90/41/81/720904181.db2.gz NBRUOAVBFFJSEK-SKCUWOTOSA-N 1 1 474.653 4.406 20 0 JIADMO c1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(N3CCCC3)nc2c1 ZINC001164752802 720906550 /nfs/dbraw/zinc/90/65/50/720906550.db2.gz OTEZVECSZRBXOB-SETSBSEESA-N 1 1 498.675 4.380 20 0 JIADMO c1ccc(-c2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)cc1 ZINC001164753739 720908966 /nfs/dbraw/zinc/90/89/66/720908966.db2.gz SLTPJTDLIPBNJR-LBNVMWSVSA-N 1 1 455.606 4.294 20 0 JIADMO COc1ccccc1-c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753142 720917202 /nfs/dbraw/zinc/91/72/02/720917202.db2.gz QJLXPHTWODAORC-PWUYWRBVSA-N 1 1 485.632 4.302 20 0 JIADMO Fc1ccc(-c2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)cc1 ZINC001164751297 720917311 /nfs/dbraw/zinc/91/73/11/720917311.db2.gz LDNRPWAXEHUSMU-RBJSKKJNSA-N 1 1 473.596 4.433 20 0 JIADMO COc1cc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cc2cc1OC ZINC001164752071 720918254 /nfs/dbraw/zinc/91/82/54/720918254.db2.gz NAPBWHROHOZRSC-ABYGYWHVSA-N 1 1 488.632 4.402 20 0 JIADMO COc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c(C)nc2c1 ZINC001164748415 720918653 /nfs/dbraw/zinc/91/86/53/720918653.db2.gz GACOEYGHJLUDBZ-LXFBAYGMSA-N 1 1 473.621 4.097 20 0 JIADMO Cc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)o1 ZINC001164752223 720921592 /nfs/dbraw/zinc/92/15/92/720921592.db2.gz NPGAGXLNFKPWPX-KCWPFWIISA-N 1 1 459.594 4.195 20 0 JIADMO c1ccc(Oc2nccnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc1 ZINC001164747782 720928107 /nfs/dbraw/zinc/92/81/07/720928107.db2.gz DIHFTZSMOJONQO-UFHPHHKVSA-N 1 1 471.605 4.419 20 0 JIADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(-c4nc(C5CC5)no4)ccn2)C3)c1 ZINC001164754282 720929323 /nfs/dbraw/zinc/92/93/23/720929323.db2.gz VWGKLOXLNBCXAF-RBJSKKJNSA-N 1 1 486.620 4.159 20 0 JIADMO COc1cc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c(OC)c1 ZINC001164749984 720932427 /nfs/dbraw/zinc/93/24/27/720932427.db2.gz IRCXSRXRYGVUFT-BTYSJIOQSA-N 1 1 488.632 4.402 20 0 JIADMO Clc1nc2c(nc1N1CC[C@@]3(C1)C[N@@H+](CC1CC1)C[C@H]3COCc1cccnc1)CCCC2 ZINC001164751400 720936785 /nfs/dbraw/zinc/93/67/85/720936785.db2.gz MDNBBBLYRIGOHM-LVXARBLLSA-N 1 1 468.045 4.159 20 0 JIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)[C@@H]2C ZINC001164861951 720986141 /nfs/dbraw/zinc/98/61/41/720986141.db2.gz RPWYRLVGYLHYSP-CQSZACIVSA-N 1 1 450.921 4.326 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](OCc3cccnc3)[C@H]3COC[C@@H]32)n1 ZINC001164758028 721009910 /nfs/dbraw/zinc/00/99/10/721009910.db2.gz HQBGHIMIKSNMED-PMVMPFDFSA-N 1 1 487.629 4.235 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)n1 ZINC001164772563 721054553 /nfs/dbraw/zinc/05/45/53/721054553.db2.gz PWWSCFRABZQHSE-NHCUHLMSSA-N 1 1 478.666 4.233 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5F)nc5ccc(F)cc54)C[C@@H]3C2)cn1 ZINC001164762303 721098667 /nfs/dbraw/zinc/09/86/67/721098667.db2.gz DXNFLYHTWCWXBR-MOPGFXCFSA-N 1 1 460.532 4.267 20 0 JIADMO Cc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864739 721110302 /nfs/dbraw/zinc/11/03/02/721110302.db2.gz GPNBRGAOVLANFL-RPWUZVMVSA-N 1 1 451.574 4.480 20 0 JIADMO c1ccc(Cc2nnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c3ccccc23)cc1 ZINC001164871623 721135945 /nfs/dbraw/zinc/13/59/45/721135945.db2.gz FYHVGZYPQOOGBK-ZEQRLZLVSA-N 1 1 451.574 4.095 20 0 JIADMO Cc1sc2nc(-c3cccnc3)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164872724 721143758 /nfs/dbraw/zinc/14/37/58/721143758.db2.gz IFJKJAHYTLJPAY-VXKWHMMOSA-N 1 1 472.618 4.245 20 0 JIADMO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164762743 721168253 /nfs/dbraw/zinc/16/82/53/721168253.db2.gz DPERARMCLWTUCJ-MOPGFXCFSA-N 1 1 498.002 4.410 20 0 JIADMO c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC[N@H+]3C2)c1 ZINC001164880957 721170828 /nfs/dbraw/zinc/17/08/28/721170828.db2.gz YGYBLMOPZWDVMX-IZZNHLLZSA-N 1 1 470.621 4.009 20 0 JIADMO Clc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164878629 721184019 /nfs/dbraw/zinc/18/40/19/721184019.db2.gz QTNPKABRCYXMFK-ICSRJNTNSA-N 1 1 472.376 4.450 20 0 JIADMO Clc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870276 721184274 /nfs/dbraw/zinc/18/42/74/721184274.db2.gz CGPBIIZELHKWOD-AZUAARDMSA-N 1 1 472.376 4.450 20 0 JIADMO Fc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164868197 721193629 /nfs/dbraw/zinc/19/36/29/721193629.db2.gz KXTMFQGWIZLCES-PMACEKPBSA-N 1 1 489.929 4.356 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164774350 721195642 /nfs/dbraw/zinc/19/56/42/721195642.db2.gz YNIARAWDQCOXER-LEWJYISDSA-N 1 1 485.661 4.324 20 0 JIADMO 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JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164809485 721586611 /nfs/dbraw/zinc/58/66/11/721586611.db2.gz SKIWWRWKBZGLBL-QQJNOOCOSA-N 1 1 484.648 4.397 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164809485 721586614 /nfs/dbraw/zinc/58/66/14/721586614.db2.gz SKIWWRWKBZGLBL-QQJNOOCOSA-N 1 1 484.648 4.397 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccncc3)nc3sccc32)[C@@H]2CCCO[C@H]12 ZINC001164810165 721587293 /nfs/dbraw/zinc/58/72/93/721587293.db2.gz UXBKPUWGUZSHNG-VSKRKVRLSA-N 1 1 458.591 4.017 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccncc3)nc3sccc32)[C@@H]2CCCO[C@H]12 ZINC001164810165 721587295 /nfs/dbraw/zinc/58/72/95/721587295.db2.gz UXBKPUWGUZSHNG-VSKRKVRLSA-N 1 1 458.591 4.017 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccc(Cl)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164799229 721587999 /nfs/dbraw/zinc/58/79/99/721587999.db2.gz AAGYFDUGYUIRKZ-VAMGGRTRSA-N 1 1 459.928 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4.396 20 0 JIADMO FC1(F)CCN(c2nc(Cl)nc3c(Cl)nccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908557 721721428 /nfs/dbraw/zinc/72/14/28/721721428.db2.gz XZDJXZNLNQFLSX-FQEVSTJZSA-N 1 1 465.335 4.464 20 0 JIADMO COC(=O)c1ccc2cc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ncc2c1 ZINC001164904894 721722100 /nfs/dbraw/zinc/72/21/00/721722100.db2.gz FIEHXHMSMSXGBL-DEOSSOPVSA-N 1 1 452.505 4.154 20 0 JIADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907363 721723018 /nfs/dbraw/zinc/72/30/18/721723018.db2.gz RDAJEAMCGAGMGT-FQEVSTJZSA-N 1 1 486.897 4.199 20 0 JIADMO FC1(F)CCN(c2ccc(-c3ccc4c(c3)OCCO4)nn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913940 721725820 /nfs/dbraw/zinc/72/58/20/721725820.db2.gz ZONFFIMUHXRNPJ-RUZDIDTESA-N 1 1 479.531 4.048 20 0 JIADMO FC1(F)CCN(c2nc(-c3cccnc3)nc3c2CCC3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164909891 721731160 /nfs/dbraw/zinc/73/11/60/721731160.db2.gz FLFAXLXYVNQBCW-RUZDIDTESA-N 1 1 462.548 4.160 20 0 JIADMO COc1ccc(CN(C)c2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164909144 721733050 /nfs/dbraw/zinc/73/30/50/721733050.db2.gz CKDUAUCDRLUIPU-SANMLTNESA-N 1 1 494.590 4.254 20 0 JIADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)CC1 ZINC001165011513 721739176 /nfs/dbraw/zinc/73/91/76/721739176.db2.gz PUTBUPPQMBBUBH-UHFFFAOYSA-N 1 1 472.367 4.005 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](OCCCn4cccn4)CC[C@H]32)nc1 ZINC001165016912 721782802 /nfs/dbraw/zinc/78/28/02/721782802.db2.gz FLGLKTZYSRSELL-GWZVJQKXSA-N 1 1 453.631 4.058 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C(=O)NCc3ccccc3)C[C@H]21 ZINC001165028079 721802670 /nfs/dbraw/zinc/80/26/70/721802670.db2.gz YENLJRSPYMVCBE-HDYLNDSGSA-N 1 1 455.606 4.144 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)C[C@@H]21 ZINC001165026892 721805145 /nfs/dbraw/zinc/80/51/45/721805145.db2.gz SCJXRCDHBQKTPT-AJSBUHFISA-N 1 1 468.045 4.493 20 0 JIADMO c1csc(COC[C@H]2CC[C@@H]3[C@@H]2OCCN3c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)n1 ZINC001164918614 721809370 /nfs/dbraw/zinc/80/93/70/721809370.db2.gz RWFOHIGYDWUEOW-LSCGWGKXSA-N 1 1 476.646 4.297 20 0 JIADMO COC(=O)c1cc2c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)[nH]c(Cl)cc-2n1 ZINC001165027441 721818835 /nfs/dbraw/zinc/81/88/35/721818835.db2.gz USLIFCIXYUOPNL-RRMPHLOHSA-N 1 1 453.974 4.135 20 0 JIADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165019915 721819281 /nfs/dbraw/zinc/81/92/81/721819281.db2.gz CBZFTBAXXRQUDC-CVJWPJSTSA-N 1 1 472.637 4.148 20 0 JIADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165019913 721819527 /nfs/dbraw/zinc/81/95/27/721819527.db2.gz CBZFTBAXXRQUDC-BBVWWWHTSA-N 1 1 472.637 4.148 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN([C@](F)(COc3cncc(Cl)n3)C(F)F)C[C@@H]21 ZINC001165023204 721826305 /nfs/dbraw/zinc/82/63/05/721826305.db2.gz IGYHKQFAZONWDT-OQYZPLRDSA-N 1 1 469.939 4.067 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc5c(c4)OCCCO5)nn3)C[C@H]21 ZINC001165027033 721826858 /nfs/dbraw/zinc/82/68/58/721826858.db2.gz RCULETZDJKTXSF-QQKQFIJSSA-N 1 1 471.605 4.437 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4COC[C@@]4(COCc4ccccn4)C3)c2c1C ZINC001164924385 721839786 /nfs/dbraw/zinc/83/97/86/721839786.db2.gz MHHCUJGIPXHVKU-JIPXPUAJSA-N 1 1 493.677 4.359 20 0 JIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(-c2ccc(Cl)nc2)ccc1C1OCCCO1 ZINC001164920784 721874419 /nfs/dbraw/zinc/87/44/19/721874419.db2.gz ANAWZTRZXWACSS-FCHUYYIVSA-N 1 1 457.018 4.052 20 0 JIADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc(-c2ccc(Cl)nc2)ccc1C1OCCCO1 ZINC001164920784 721874421 /nfs/dbraw/zinc/87/44/21/721874421.db2.gz ANAWZTRZXWACSS-FCHUYYIVSA-N 1 1 457.018 4.052 20 0 JIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)n1 ZINC001164929909 721898891 /nfs/dbraw/zinc/89/88/91/721898891.db2.gz XQRNRWVOZBOSIQ-AREMUKBSSA-N 1 1 461.997 4.466 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc(-c5ccc(N(C)C)cc5)n4)CC3)C2)cc1 ZINC001164939081 721929986 /nfs/dbraw/zinc/92/99/86/721929986.db2.gz IHMARXHGXCXXAP-UHFFFAOYSA-N 1 1 457.622 4.389 20 0 JIADMO COC[C@]12COC[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164952846 721994615 /nfs/dbraw/zinc/99/46/15/721994615.db2.gz PWOQLLKGCXYGTE-FQRUVTKNSA-N 1 1 464.635 4.443 20 0 JIADMO c1cncc(C[N@H+]2CCC3(C2)CCN(c2ccc(-c4ccc5c(c4)OCCCO5)nn2)CC3)c1 ZINC001164956050 722023100 /nfs/dbraw/zinc/02/31/00/722023100.db2.gz VGVVRFNFFHTZHT-UHFFFAOYSA-N 1 1 457.578 4.192 20 0 JIADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164962093 722023864 /nfs/dbraw/zinc/02/38/64/722023864.db2.gz PMROBJGYBUTUKO-UHFFFAOYSA-N 1 1 465.932 4.259 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@]4(C[C@H]4C(=O)NCc4cccnc4)C3)c2c1C ZINC001164962805 722034496 /nfs/dbraw/zinc/03/44/96/722034496.db2.gz ZBGOIOQKTCIHKT-KDYSTLNUSA-N 1 1 490.677 4.222 20 0 JIADMO O=C(c1ccco1)N1CC[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164959185 722048417 /nfs/dbraw/zinc/04/84/17/722048417.db2.gz PVIBJGQZCPEFNM-HKUYNNGSSA-N 1 1 477.634 4.110 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)n1 ZINC001164958605 722048838 /nfs/dbraw/zinc/04/88/38/722048838.db2.gz OQGRXXQXBVCXHT-UYAOXDASSA-N 1 1 473.602 4.364 20 0 JIADMO CCc1nc2sc3c(c2c(N2CCC4(CC2)COCC[N@@H+](Cc2ccncc2)C4)n1)CCC3 ZINC001164961605 722059471 /nfs/dbraw/zinc/05/94/71/722059471.db2.gz MPXJMZGVSISRKL-UHFFFAOYSA-N 1 1 463.651 4.256 20 0 JIADMO COc1ccc(Cc2c(C)nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2C)cc1 ZINC001164966296 722061880 /nfs/dbraw/zinc/06/18/80/722061880.db2.gz PZXJHSYSDNOIPI-UHFFFAOYSA-N 1 1 487.648 4.207 20 0 JIADMO COc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001164966452 722062467 /nfs/dbraw/zinc/06/24/67/722062467.db2.gz UBOYDNYJEZCCHM-UHFFFAOYSA-N 1 1 496.011 4.445 20 0 JIADMO 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CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001359395916 1069500738 /nfs/dbraw/zinc/50/07/38/1069500738.db2.gz LVVNKFZLNOZUAN-UHFFFAOYSA-N 1 1 496.700 4.222 20 0 JIADMO CC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359398320 1069504383 /nfs/dbraw/zinc/50/43/83/1069504383.db2.gz VGZIEAAJJDHNRK-LJQANCHMSA-N 1 1 491.105 4.157 20 0 JIADMO CC(=O)Nc1ccc(CCn2c(Cc3ccncc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC001359403896 1069508192 /nfs/dbraw/zinc/50/81/92/1069508192.db2.gz WREFTHZODRWGEF-UHFFFAOYSA-N 1 1 489.668 4.022 20 0 JIADMO CC(=O)NC[C@H]1CCCN(c2nnc(CC3CCCC3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001359437957 1069567167 /nfs/dbraw/zinc/56/71/67/1069567167.db2.gz QBLQXNNWCDGVND-XMMPIXPASA-N 1 1 480.701 4.252 20 0 JIADMO CC(=O)NC[C@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001359438983 1069568505 /nfs/dbraw/zinc/56/85/05/1069568505.db2.gz LFJYUSYZLPKWJK-DNQXCXABSA-N 1 1 498.741 4.352 20 0 JIADMO 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CC(C)(C)Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001359529227 1069819075 /nfs/dbraw/zinc/81/90/75/1069819075.db2.gz MQPOHOZGMCYIKX-QGZVFWFLSA-N 1 1 483.554 4.231 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001359530224 1069820885 /nfs/dbraw/zinc/82/08/85/1069820885.db2.gz VNUHHAXUVDDTDP-FQEVSTJZSA-N 1 1 485.677 4.067 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001359534234 1069827255 /nfs/dbraw/zinc/82/72/55/1069827255.db2.gz QQXOWRHQRAUOCL-LADGPHEKSA-N 1 1 499.675 4.342 20 0 JIADMO CO[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@H+]2CCCC[C@@H]2C)CC1(C)C ZINC001300794356 1069845369 /nfs/dbraw/zinc/84/53/69/1069845369.db2.gz JSCSUWRVFXUWEA-PXNSSMCTSA-N 1 1 493.494 4.172 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC2(O)CCOCC2)CC1 ZINC001359547934 1069854293 /nfs/dbraw/zinc/85/42/93/1069854293.db2.gz HWJTXAXCQHFATI-UHFFFAOYSA-N 1 1 482.456 4.104 20 0 JIADMO 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CC(C)[C@H](Cn1c(N2CCc3cccc(Br)c3C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001359665866 1070299140 /nfs/dbraw/zinc/29/91/40/1070299140.db2.gz HOMCXHYYLMMLED-NRFANRHFSA-N 1 1 490.490 4.258 20 0 JIADMO CC(C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC1CCCC1)[NH+]1CCOCC1 ZINC001359666779 1070303117 /nfs/dbraw/zinc/30/31/17/1070303117.db2.gz BBQDJQZZAUWENV-DNVJHFABSA-N 1 1 461.695 4.180 20 0 JIADMO CC(C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)c1ccco1)[NH+]1CCOCC1 ZINC001359667417 1070305270 /nfs/dbraw/zinc/30/52/70/1070305270.db2.gz XGCJZELNCYRPRP-ZZLPTCMGSA-N 1 1 473.662 4.344 20 0 JIADMO CC(C)c1ncc(CN(C)c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)[NH+]2CCOCC2)cn1 ZINC001359672739 1070320932 /nfs/dbraw/zinc/32/09/32/1070320932.db2.gz BQLFVFNWXIJAHC-UHFFFAOYSA-N 1 1 484.048 4.259 20 0 JIADMO Cc1ccccc1N1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001492596432 1070322670 /nfs/dbraw/zinc/32/26/70/1070322670.db2.gz QZWNIJWVBHYRNM-SZPZYZBQSA-N 1 1 468.690 4.098 20 0 JIADMO 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CC(C)c1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001359706869 1070373658 /nfs/dbraw/zinc/37/36/58/1070373658.db2.gz IOVPPISJWAEQJB-UPVQGACJSA-N 1 1 480.701 4.437 20 0 JIADMO CC(C)c1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001359708080 1070376834 /nfs/dbraw/zinc/37/68/34/1070376834.db2.gz IHHGANVQNNDXJL-QFIPXVFZSA-N 1 1 470.662 4.417 20 0 JIADMO CC(C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359711636 1070379888 /nfs/dbraw/zinc/37/98/88/1070379888.db2.gz NKKDQMKBYTVYFO-XWGVYQGASA-N 1 1 487.714 4.106 20 0 JIADMO COc1ccc(CCCn2c(C3CCCC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001315459870 1064271924 /nfs/dbraw/zinc/27/19/24/1064271924.db2.gz PLIXXPBTGFYHAH-OYRHEFFESA-N 1 1 455.647 4.123 20 0 JIADMO COc1ccc(CCCn2c(C3CCCC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001315459870 1064271935 /nfs/dbraw/zinc/27/19/35/1064271935.db2.gz PLIXXPBTGFYHAH-OYRHEFFESA-N 1 1 455.647 4.123 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001315471285 1064310508 /nfs/dbraw/zinc/31/05/08/1064310508.db2.gz VCKNGEKKVIKRES-YWEHKCAJSA-N 1 1 499.700 4.393 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CC[N@@H+](C)C2CCCCC2)cc1O ZINC001315473445 1064315826 /nfs/dbraw/zinc/31/58/26/1064315826.db2.gz IVPTYOLMMONNRZ-UHFFFAOYSA-N 1 1 464.614 4.264 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001315474480 1064320579 /nfs/dbraw/zinc/32/05/79/1064320579.db2.gz IBUNTKXPJBOBED-FYYLOGMGSA-N 1 1 455.647 4.329 20 0 JIADMO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001315480500 1064340002 /nfs/dbraw/zinc/34/00/02/1064340002.db2.gz KZJXWHQHFAVZGN-DEOSSOPVSA-N 1 1 469.674 4.321 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+](C)C2CCCCC2)cc1 ZINC001315483633 1064349639 /nfs/dbraw/zinc/34/96/39/1064349639.db2.gz QTTUTGACVIRDGB-UHFFFAOYSA-N 1 1 465.646 4.049 20 0 JIADMO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(OC)c1 ZINC001315498123 1064392705 /nfs/dbraw/zinc/39/27/05/1064392705.db2.gz HOGWOIHUWFGYAQ-OYRHEFFESA-N 1 1 499.700 4.258 20 0 JIADMO COc1ccc(Cn2c(Cc3ccccc3C)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c(OC)n1 ZINC001315498331 1064392801 /nfs/dbraw/zinc/39/28/01/1064392801.db2.gz AAIJHSYKMURAQC-UHFFFAOYSA-N 1 1 492.668 4.194 20 0 JIADMO COc1ccc(Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC001315503942 1064411682 /nfs/dbraw/zinc/41/16/82/1064411682.db2.gz LXBPAQOPDAKALV-UHFFFAOYSA-N 1 1 492.668 4.482 20 0 JIADMO COc1ccc(Cn2c(N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)nnc2C(C)(C)C)cc1O ZINC001315507390 1064427588 /nfs/dbraw/zinc/42/75/88/1064427588.db2.gz JTFHQMDCQZBLAV-CTNGQTDRSA-N 1 1 455.647 4.429 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCOC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001315510969 1064442913 /nfs/dbraw/zinc/44/29/13/1064442913.db2.gz QADOMCJEPCUSRO-OALUTQOASA-N 1 1 462.038 4.345 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc(-c2ccccn2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001315511133 1064445487 /nfs/dbraw/zinc/44/54/87/1064445487.db2.gz JBASVZJCSKQFHW-IBGZPJMESA-N 1 1 485.032 4.139 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc(-c2ccc(C)o2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001315512511 1064450997 /nfs/dbraw/zinc/45/09/97/1064450997.db2.gz QILGQQIPPBRVGR-UHFFFAOYSA-N 1 1 487.048 4.171 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc(-c2ccc(C)o2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001315512511 1064451006 /nfs/dbraw/zinc/45/10/06/1064451006.db2.gz QILGQQIPPBRVGR-UHFFFAOYSA-N 1 1 487.048 4.171 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc(-c2ccc(C)o2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001315512511 1064451015 /nfs/dbraw/zinc/45/10/15/1064451015.db2.gz QILGQQIPPBRVGR-UHFFFAOYSA-N 1 1 487.048 4.171 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc(-c2cnccn2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001315513982 1064456971 /nfs/dbraw/zinc/45/69/71/1064456971.db2.gz YEKMYLLIOZEZLC-GOSISDBHSA-N 1 1 470.021 4.298 20 0 JIADMO COc1ccc(OCc2nnc(N(C)Cc3cc(C)cs3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001315527524 1064505428 /nfs/dbraw/zinc/50/54/28/1064505428.db2.gz WYNBWDQRNYIMRR-IBGZPJMESA-N 1 1 455.628 4.356 20 0 JIADMO COc1ccc(OC2CCN(c3nnc(C)n3CC(C)(C)[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC001315527876 1064505752 /nfs/dbraw/zinc/50/57/52/1064505752.db2.gz VTVIMZARMMQJGV-BGYRXZFFSA-N 1 1 455.647 4.399 20 0 JIADMO COc1ccc(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001315528132 1064506244 /nfs/dbraw/zinc/50/62/44/1064506244.db2.gz GUORZCHAWDISPN-ZRCGQRJVSA-N 1 1 455.647 4.468 20 0 JIADMO COc1ccc(OCc2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001315528130 1064506490 /nfs/dbraw/zinc/50/64/90/1064506490.db2.gz GUORZCHAWDISPN-TXTKFYIRSA-N 1 1 455.647 4.468 20 0 JIADMO COc1ccc(OCCN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC001315539265 1064534361 /nfs/dbraw/zinc/53/43/61/1064534361.db2.gz RHOGHFWOOJXTJJ-IBGZPJMESA-N 1 1 452.603 4.165 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCO[C@@H](C)C3)CC2)c1 ZINC001315545068 1064548454 /nfs/dbraw/zinc/54/84/54/1064548454.db2.gz KJYHRCHEZAYMMM-ACRUOGEOSA-N 1 1 455.647 4.283 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCO[C@H](C)C3)CC2)c1 ZINC001315545069 1064548810 /nfs/dbraw/zinc/54/88/10/1064548810.db2.gz KJYHRCHEZAYMMM-HKBOAZHASA-N 1 1 455.647 4.283 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3CCOc3ncccc3Cl)CC2)c1 ZINC001315545141 1064549539 /nfs/dbraw/zinc/54/95/39/1064549539.db2.gz MAQJHCKCPXTHCU-FQEVSTJZSA-N 1 1 499.059 4.496 20 0 JIADMO COc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCC(=O)N2CCCCCC2)c1 ZINC001315556613 1064576223 /nfs/dbraw/zinc/57/62/23/1064576223.db2.gz CGLASTVPGLWSDE-UHFFFAOYSA-N 1 1 496.700 4.303 20 0 JIADMO 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 1064580187 /nfs/dbraw/zinc/58/01/87/1064580187.db2.gz WBPDDGHKQYDCJW-BGYRXZFFSA-N 1 1 485.673 4.235 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](C)c2c(C)noc2C)c1 ZINC001315562041 1064588423 /nfs/dbraw/zinc/58/84/23/1064588423.db2.gz FJLZERYDOIHXMN-SFHVURJKSA-N 1 1 452.603 4.283 20 0 JIADMO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(C(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001315572115 1064619027 /nfs/dbraw/zinc/61/90/27/1064619027.db2.gz SFPDWLJWPSZRDG-QDSKXPNFSA-N 1 1 455.647 4.354 20 0 JIADMO COc1cccc(CN(C[C@@H]2CCCO2)c2nnc(C(C)(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001315578717 1064640880 /nfs/dbraw/zinc/64/08/80/1064640880.db2.gz ZFIWXOUPJQCFER-LOSJGSFVSA-N 1 1 499.700 4.127 20 0 JIADMO COc1cccc(Cl)c1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001315586773 1064666844 /nfs/dbraw/zinc/66/68/44/1064666844.db2.gz BUMWSTNDNLLKJS-HXUWFJFHSA-N 1 1 476.065 4.439 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCC[C@H]3C)CC2)c1 ZINC001315590606 1064678955 /nfs/dbraw/zinc/67/89/55/1064678955.db2.gz PZJRPKWQOXSJKV-NHCUHLMSSA-N 1 1 455.647 4.221 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@@]1(C)CCCS1 ZINC001315592501 1064685118 /nfs/dbraw/zinc/68/51/18/1064685118.db2.gz ZSVOIJOCBBRUQF-RUZDIDTESA-N 1 1 473.687 4.034 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@](C)(O)c1ccsc1 ZINC001315597560 1064700804 /nfs/dbraw/zinc/70/08/04/1064700804.db2.gz DDXVDICEIIKNTD-AREMUKBSSA-N 1 1 483.682 4.480 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(CCCO)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001315600033 1064706064 /nfs/dbraw/zinc/70/60/64/1064706064.db2.gz XFYQYIQELYTVIY-OAQYLSRUSA-N 1 1 469.674 4.453 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCNC(=O)OC(C)(C)C ZINC001315605834 1064720527 /nfs/dbraw/zinc/72/05/27/1064720527.db2.gz XCBVCOWTVLZUHF-UHFFFAOYSA-N 1 1 486.661 4.179 20 0 JIADMO COc1ccccc1Cc1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001315620118 1064753662 /nfs/dbraw/zinc/75/36/62/1064753662.db2.gz GLYHYGXHCVLEJA-YADHBBJMSA-N 1 1 469.674 4.393 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@H]1CCOC[C@@H]1C ZINC001315623485 1064761420 /nfs/dbraw/zinc/76/14/20/1064761420.db2.gz ZWMMBNNCBCDGEP-XUZZJYLKSA-N 1 1 469.674 4.107 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1OCCC1(C)C ZINC001315624529 1064764328 /nfs/dbraw/zinc/76/43/28/1064764328.db2.gz JOQFIMQUONMXAR-JOCHJYFZSA-N 1 1 455.647 4.003 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1CCOC(C)C ZINC001315625707 1064768179 /nfs/dbraw/zinc/76/81/79/1064768179.db2.gz BNRULZZUYAIBLS-PKTZIBPZSA-N 1 1 469.674 4.393 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCO[C@H](C(C)C)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001315630818 1064781787 /nfs/dbraw/zinc/78/17/87/1064781787.db2.gz FCAISYKRYUBLQH-URXFXBBRSA-N 1 1 469.674 4.249 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001315631708 1064783264 /nfs/dbraw/zinc/78/32/64/1064783264.db2.gz NTNMFESOKLHJLF-MVERNJQCSA-N 1 1 483.701 4.497 20 0 JIADMO 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NDYNVRXTOKBTRS-GOSISDBHSA-N 1 1 490.578 4.158 20 0 JIADMO CN(C(=O)c1ccccc1NC(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1)C1CCCCC1 ZINC001326128055 1066285194 /nfs/dbraw/zinc/28/51/94/1066285194.db2.gz CSMMEVVCUVESOX-UHFFFAOYSA-N 1 1 477.653 4.160 20 0 JIADMO CSC[C@@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001316435756 1066287245 /nfs/dbraw/zinc/28/72/45/1066287245.db2.gz YZIRZADOUVUSNI-PKOBYXMFSA-N 1 1 495.535 4.498 20 0 JIADMO Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001326207123 1066288420 /nfs/dbraw/zinc/28/84/20/1066288420.db2.gz RZAMZRDCSXHCGK-UHFFFAOYSA-N 1 1 480.996 4.171 20 0 JIADMO CSC[C@H]1CCCN1c1nnc(-c2ccccc2C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316438527 1066293188 /nfs/dbraw/zinc/29/31/88/1066293188.db2.gz TXNTZVZAIXXDBK-QHAWAJNXSA-N 1 1 457.688 4.473 20 0 JIADMO CSC[C@H]1CCCN1c1nnc(COc2ccc(Br)cc2)n1CC[N@@H+]1CC=CCC1 ZINC001316441892 1066302950 /nfs/dbraw/zinc/30/29/50/1066302950.db2.gz LWAXBNGKHOZNJQ-LJQANCHMSA-N 1 1 492.487 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494.606 4.300 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001492508662 1066334755 /nfs/dbraw/zinc/33/47/55/1066334755.db2.gz XBOYCPPEBVGCFV-UHFFFAOYSA-N 1 1 485.677 4.262 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3c(C)n(C4CC4)c4ccc(OC)cc43)C2)ccn1 ZINC001329440719 1066338125 /nfs/dbraw/zinc/33/81/25/1066338125.db2.gz DXVGIAGMQQMSPS-QHCPKHFHSA-N 1 1 462.594 4.433 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)C2)ccn1 ZINC001331301371 1066358047 /nfs/dbraw/zinc/35/80/47/1066358047.db2.gz NRCVQQGCDRALEQ-DEOSSOPVSA-N 1 1 494.636 4.053 20 0 JIADMO Cc1cccc2sc(N(Cc3ccccc3)C(=O)C[N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)nc21 ZINC001331335865 1066358832 /nfs/dbraw/zinc/35/88/32/1066358832.db2.gz VITDCTFWBLOJRJ-FQEVSTJZSA-N 1 1 462.619 4.129 20 0 JIADMO Cc1cccc2sc(N(Cc3ccccc3)C(=O)C[N@H+]3CCC[C@H](C(=O)NC4CC4)C3)nc21 ZINC001331335865 1066358851 /nfs/dbraw/zinc/35/88/51/1066358851.db2.gz VITDCTFWBLOJRJ-FQEVSTJZSA-N 1 1 462.619 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JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCOC3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001316503152 1066467629 /nfs/dbraw/zinc/46/76/29/1066467629.db2.gz MNOXUVRMGZFXMU-RMMWZPCPSA-N 1 1 473.584 4.011 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C[C@H](C)O1 ZINC001316503632 1066470627 /nfs/dbraw/zinc/47/06/27/1066470627.db2.gz RMLRPCBKLWPYMB-ISBRNDMJSA-N 1 1 491.721 4.295 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C[C@H](C)O1 ZINC001316503632 1066470633 /nfs/dbraw/zinc/47/06/33/1066470633.db2.gz RMLRPCBKLWPYMB-ISBRNDMJSA-N 1 1 491.721 4.295 20 0 JIADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(C(C)(C)C)n3CCOCc3ccccc3)CC2)C[C@H](C)O1 ZINC001316504353 1066473116 /nfs/dbraw/zinc/47/31/16/1066473116.db2.gz KHQHUDOUSMVTFR-SZPZYZBQSA-N 1 1 469.674 4.118 20 0 JIADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(CC(C)(C)C)n3CCc3ccsc3)CC2)C[C@H](C)O1 ZINC001316504762 1066476780 /nfs/dbraw/zinc/47/67/80/1066476780.db2.gz 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ZCGMKHSJHZUMCG-UHFFFAOYSA-N 1 1 469.633 4.370 20 0 JIADMO O=C1N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@@H]1c1cccc(Cl)c1 ZINC001338004316 1066524504 /nfs/dbraw/zinc/52/45/04/1066524504.db2.gz OURUWIMMNSGPAH-RCZVLFRGSA-N 1 1 452.986 4.021 20 0 JIADMO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)cc1 ZINC001338429392 1066554980 /nfs/dbraw/zinc/55/49/80/1066554980.db2.gz JPXSZKHFYDSKJN-LJQANCHMSA-N 1 1 495.649 4.364 20 0 JIADMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCCOc1ccc2c(c1)CCC(=O)N2 ZINC001341770757 1066589067 /nfs/dbraw/zinc/58/90/67/1066589067.db2.gz JRWRCSPWWCDCAV-IBGZPJMESA-N 1 1 452.551 4.060 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)C3CCCCC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001492537484 1066593747 /nfs/dbraw/zinc/59/37/47/1066593747.db2.gz ZKDDFZVKQGPQBW-DEOSSOPVSA-N 1 1 455.647 4.291 20 0 JIADMO OC[C@H]1CCC[N@H+]1CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001316585748 1066607634 /nfs/dbraw/zinc/60/76/34/1066607634.db2.gz XSZUIOSIYHYOPZ-AZUAARDMSA-N 1 1 467.992 4.317 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)Cc3nccs3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001492538513 1066616452 /nfs/dbraw/zinc/61/64/52/1066616452.db2.gz HSAZKJBBTPLGEH-HXUWFJFHSA-N 1 1 454.644 4.379 20 0 JIADMO Cc1ccsc1CCn1c(COc2cccc(C)c2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492539890 1066627107 /nfs/dbraw/zinc/62/71/07/1066627107.db2.gz KPKFYJYJBFKMBK-SZPZYZBQSA-N 1 1 483.682 4.324 20 0 JIADMO Cc1ccsc1CCn1c(COc2cccc(C)c2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492539890 1066627122 /nfs/dbraw/zinc/62/71/22/1066627122.db2.gz KPKFYJYJBFKMBK-SZPZYZBQSA-N 1 1 483.682 4.324 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001492541016 1066642642 /nfs/dbraw/zinc/64/26/42/1066642642.db2.gz BGACUHITLUFOMA-XMMPIXPASA-N 1 1 497.606 4.426 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCC[C@@H](O)C2)c1 ZINC001492543306 1066664833 /nfs/dbraw/zinc/66/48/33/1066664833.db2.gz HOWMORRUBHXMLG-BJKOFHAPSA-N 1 1 469.674 4.273 20 0 JIADMO Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC001348373463 1066740430 /nfs/dbraw/zinc/74/04/30/1066740430.db2.gz WWDKYONNJCNKDO-NDEPHWFRSA-N 1 1 467.613 4.364 20 0 JIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(CN4C(=O)c5ccccc5C4=O)CC3)cc2)C1 ZINC001317914635 1066783673 /nfs/dbraw/zinc/78/36/73/1066783673.db2.gz KGFCIKKJTMGKJB-NRFANRHFSA-N 1 1 488.632 4.136 20 0 JIADMO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1OC ZINC001317950200 1066806089 /nfs/dbraw/zinc/80/60/89/1066806089.db2.gz GMRSWAYLBMBDHH-UHFFFAOYSA-N 1 1 488.613 4.406 20 0 JIADMO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCC[N@H+]2CCc3sccc3C2)cc1OC ZINC001317950200 1066806098 /nfs/dbraw/zinc/80/60/98/1066806098.db2.gz GMRSWAYLBMBDHH-UHFFFAOYSA-N 1 1 488.613 4.406 20 0 JIADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)C[C@@H](C)O1 ZINC001349419494 1066839228 /nfs/dbraw/zinc/83/92/28/1066839228.db2.gz DWTNLCHOOMYWCS-QZTJIDSGSA-N 1 1 459.034 4.412 20 0 JIADMO COc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001318021094 1066855986 /nfs/dbraw/zinc/85/59/86/1066855986.db2.gz AMPCGMBJUKIZAM-UHFFFAOYSA-N 1 1 473.982 4.220 20 0 JIADMO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC001318021094 1066855990 /nfs/dbraw/zinc/85/59/90/1066855990.db2.gz AMPCGMBJUKIZAM-UHFFFAOYSA-N 1 1 473.982 4.220 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001492546930 1066855992 /nfs/dbraw/zinc/85/59/92/1066855992.db2.gz IITNRSJNWDXLRX-YADHBBJMSA-N 1 1 498.672 4.095 20 0 JIADMO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC001318059305 1066876515 /nfs/dbraw/zinc/87/65/15/1066876515.db2.gz UGNAMLMGKKIYRM-SFHVURJKSA-N 1 1 464.031 4.017 20 0 JIADMO O=C(c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318065198 1066881136 /nfs/dbraw/zinc/88/11/36/1066881136.db2.gz RTNMILWUKKHGIB-QHCPKHFHSA-N 1 1 475.614 4.465 20 0 JIADMO O=C(c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318065198 1066881140 /nfs/dbraw/zinc/88/11/40/1066881140.db2.gz RTNMILWUKKHGIB-QHCPKHFHSA-N 1 1 475.614 4.465 20 0 JIADMO O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318063978 1066881192 /nfs/dbraw/zinc/88/11/92/1066881192.db2.gz GBNXSGDAGASVHR-NRFANRHFSA-N 1 1 469.561 4.001 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2OC)C1 ZINC001318084206 1066891984 /nfs/dbraw/zinc/89/19/84/1066891984.db2.gz JOCTZFLGRUZDMM-MHLNXUHPSA-N 1 1 479.621 4.036 20 0 JIADMO O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC001318103083 1066900480 /nfs/dbraw/zinc/90/04/80/1066900480.db2.gz QKOVRMORAMUUFL-LEAFIULHSA-N 1 1 480.612 4.359 20 0 JIADMO CCOC(=O)c1cnc2c(OC)cc(Cl)c(OC)c2c1N1CCC[N@H+](Cc2cc(C)on2)CC1 ZINC001318104105 1066901480 /nfs/dbraw/zinc/90/14/80/1066901480.db2.gz OGHFACNDIPMCDO-UHFFFAOYSA-N 1 1 488.972 4.091 20 0 JIADMO CCOC(=O)c1cnc2c(OC)cc(Cl)c(OC)c2c1N1CCC[N@@H+](Cc2cc(C)on2)CC1 ZINC001318104105 1066901492 /nfs/dbraw/zinc/90/14/92/1066901492.db2.gz OGHFACNDIPMCDO-UHFFFAOYSA-N 1 1 488.972 4.091 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)C1 ZINC001318142019 1066921294 /nfs/dbraw/zinc/92/12/94/1066921294.db2.gz WJPLOMXMBXWMOR-HNNXBMFYSA-N 1 1 470.422 4.256 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)NCc3ccc(-n4cnc5ccccc54)nc3)cc2)C[C@H](C)O1 ZINC001318142462 1066921581 /nfs/dbraw/zinc/92/15/81/1066921581.db2.gz XMHVWGNHKATUSJ-OYRHEFFESA-N 1 1 484.604 4.029 20 0 JIADMO C[C@@H](CNC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)[N@@H+]1CCc2sccc2C1 ZINC001318164046 1066932787 /nfs/dbraw/zinc/93/27/87/1066932787.db2.gz GCGIHFBBNVWYHK-KRWDZBQOSA-N 1 1 458.628 4.019 20 0 JIADMO C[C@@H](CNC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)[N@H+]1CCc2sccc2C1 ZINC001318164046 1066932798 /nfs/dbraw/zinc/93/27/98/1066932798.db2.gz GCGIHFBBNVWYHK-KRWDZBQOSA-N 1 1 458.628 4.019 20 0 JIADMO O=C(NCc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001318173394 1066938970 /nfs/dbraw/zinc/93/89/70/1066938970.db2.gz LJCGOSGRQSSHAV-RRPNLBNLSA-N 1 1 483.568 4.221 20 0 JIADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001350533050 1066968336 /nfs/dbraw/zinc/96/83/36/1066968336.db2.gz AWSRREGBOMJAKH-IFMALSPDSA-N 1 1 475.555 4.346 20 0 JIADMO NC(=O)c1ccc(F)c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1 ZINC001350575371 1066974026 /nfs/dbraw/zinc/97/40/26/1066974026.db2.gz VMCKJEVJRCIAIL-LEWJYISDSA-N 1 1 451.929 4.432 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3ccc(I)cc3Cl)c2)CC1 ZINC001318250871 1066983904 /nfs/dbraw/zinc/98/39/04/1066983904.db2.gz LVLOUVFJTCBRFO-UHFFFAOYSA-N 1 1 498.796 4.014 20 0 JIADMO C[NH+]1CCN([C@H](c2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)c2ccccc2)CC1 ZINC001350674658 1066987336 /nfs/dbraw/zinc/98/73/36/1066987336.db2.gz SIEYDSQNUGIRKK-VXKWHMMOSA-N 1 1 463.582 4.021 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC2(C)CCCC2)c1 ZINC001492548235 1066990082 /nfs/dbraw/zinc/99/00/82/1066990082.db2.gz VXFONWIOLKMOCK-UHFFFAOYSA-N 1 1 455.647 4.293 20 0 JIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)cc1 ZINC001350859282 1067011076 /nfs/dbraw/zinc/01/10/76/1067011076.db2.gz QSGFXCJSJBAGGN-HNNXBMFYSA-N 1 1 455.360 4.052 20 0 JIADMO C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1)c1ccc(Br)cc1 ZINC001318339481 1067023204 /nfs/dbraw/zinc/02/32/04/1067023204.db2.gz XIIAQTFJAPGFQN-QRQCRPRQSA-N 1 1 456.384 4.074 20 0 JIADMO CN(C)c1cc(C[NH2+]Cc2c(F)ccc(I)c2F)c2ccccc2n1 ZINC001200742569 1067026466 /nfs/dbraw/zinc/02/64/66/1067026466.db2.gz YBOQCTNBQRIWES-UHFFFAOYSA-N 1 1 453.274 4.473 20 0 JIADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)C[C@@H](C)O1 ZINC001318364484 1067032690 /nfs/dbraw/zinc/03/26/90/1067032690.db2.gz PDJIOLIXOBJVHN-KNKQGSTJSA-N 1 1 454.590 4.129 20 0 JIADMO CC[NH+](CC)[C@H](C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1cccc(C(F)(F)F)c1 ZINC001354669976 1067034412 /nfs/dbraw/zinc/03/44/12/1067034412.db2.gz MOMBKVHWGFLSIM-NRFANRHFSA-N 1 1 458.484 4.383 20 0 JIADMO COc1ccc(-c2csc(NC(=O)[C@H](c3ccccc3)N3CC[NH+](C)CC3)n2)cc1Cl ZINC001351257002 1067066421 /nfs/dbraw/zinc/06/64/21/1067066421.db2.gz QWKZOUJQULRYHO-NRFANRHFSA-N 1 1 456.999 4.399 20 0 JIADMO CC(C)c1ncc(Br)c(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)n1 ZINC001351277304 1067069602 /nfs/dbraw/zinc/06/96/02/1067069602.db2.gz BCHLJEPMSBLHPR-UHFFFAOYSA-N 1 1 453.384 4.474 20 0 JIADMO COc1ncccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001300705212 1067071856 /nfs/dbraw/zinc/07/18/56/1067071856.db2.gz FMIBVLWDTVFVGW-NRFANRHFSA-N 1 1 462.642 4.419 20 0 JIADMO COC(=O)[C@H]1C[N@H+](Cc2ccc(Cl)cc2Oc2ccc(Cl)c(F)c2)C[C@H]1C(=O)OC ZINC001474748801 1067090011 /nfs/dbraw/zinc/09/00/11/1067090011.db2.gz RNRKOEJDPIQPNR-IYBDPMFKSA-N 1 1 456.297 4.319 20 0 JIADMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(Cl)cc2Oc2ccc(Cl)c(F)c2)C[C@H]1C(=O)OC ZINC001474748801 1067090036 /nfs/dbraw/zinc/09/00/36/1067090036.db2.gz RNRKOEJDPIQPNR-IYBDPMFKSA-N 1 1 456.297 4.319 20 0 JIADMO O=C(CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)Nc1ccc(Cl)cc1 ZINC001351483898 1067103236 /nfs/dbraw/zinc/10/32/36/1067103236.db2.gz XKDOYBMCWSKZEC-NHCUHLMSSA-N 1 1 453.995 4.372 20 0 JIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001351528205 1067118601 /nfs/dbraw/zinc/11/86/01/1067118601.db2.gz KEBLLMSUTGANNL-CDMIOBSGSA-N 1 1 455.521 4.128 20 0 JIADMO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001351527764 1067119227 /nfs/dbraw/zinc/11/92/27/1067119227.db2.gz DUKQMWQPRRWVNB-CRAIPNDOSA-N 1 1 455.352 4.429 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)CC2)cc1 ZINC001321494326 1067147765 /nfs/dbraw/zinc/14/77/65/1067147765.db2.gz OIFFFKDHKKPJCY-UHFFFAOYSA-N 1 1 490.069 4.171 20 0 JIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(=S)Nc1c(F)cc(Br)cc1Br)CC2 ZINC001200799340 1067182527 /nfs/dbraw/zinc/18/25/27/1067182527.db2.gz KKKWFRZDZHXBIB-UHFFFAOYSA-N 1 1 494.228 4.178 20 0 JIADMO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)C1 ZINC001322119351 1067254749 /nfs/dbraw/zinc/25/47/49/1067254749.db2.gz BJXDEBPSAINBNP-HNNXBMFYSA-N 1 1 470.422 4.256 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)C1 ZINC001322119351 1067254765 /nfs/dbraw/zinc/25/47/65/1067254765.db2.gz BJXDEBPSAINBNP-HNNXBMFYSA-N 1 1 470.422 4.256 20 0 JIADMO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001200810048 1067257144 /nfs/dbraw/zinc/25/71/44/1067257144.db2.gz DQQAOFUKANWETG-ROUUACIJSA-N 1 1 451.423 4.369 20 0 JIADMO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001200810047 1067257351 /nfs/dbraw/zinc/25/73/51/1067257351.db2.gz DQQAOFUKANWETG-QZTJIDSGSA-N 1 1 451.423 4.369 20 0 JIADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC001322169486 1067258860 /nfs/dbraw/zinc/25/88/60/1067258860.db2.gz ITBZWNLOQAPGSZ-UHFFFAOYSA-N 1 1 464.393 4.306 20 0 JIADMO CO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCn2cc[nH+]c2C)C1 ZINC001300753097 1067277470 /nfs/dbraw/zinc/27/74/70/1067277470.db2.gz GOUJFTPTKLOVJS-IFMALSPDSA-N 1 1 452.603 4.245 20 0 JIADMO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001200816938 1067279474 /nfs/dbraw/zinc/27/94/74/1067279474.db2.gz SGLVIKGIQHWHEI-UHFFFAOYSA-N 1 1 451.427 4.211 20 0 JIADMO C[NH+](C)[C@@H](C(=O)Nc1cc(Br)ccc1N1CCOCC1)c1ccc(Cl)cc1 ZINC001352101130 1067287463 /nfs/dbraw/zinc/28/74/63/1067287463.db2.gz ZRVWQNPOAVAUAO-LJQANCHMSA-N 1 1 452.780 4.181 20 0 JIADMO Cc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001492579516 1067315103 /nfs/dbraw/zinc/31/51/03/1067315103.db2.gz LNHHSCRSQKKXQE-TZIWHRDSSA-N 1 1 479.591 4.455 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)cc2)C[C@H](C)O1 ZINC001323180145 1067315787 /nfs/dbraw/zinc/31/57/87/1067315787.db2.gz UJVSCHCZMWSOQT-ZRCGQRJVSA-N 1 1 461.610 4.261 20 0 JIADMO C[C@H]1CC[C@H](c2nc(CC(=O)Nc3ccc(C[N@H+]4CCC[C@H](C(N)=O)C4)cc3)cs2)CC1 ZINC001352239350 1067315733 /nfs/dbraw/zinc/31/57/33/1067315733.db2.gz XITUIGKPRFMEBL-IHPCNDPISA-N 1 1 454.640 4.315 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001492552753 1067319518 /nfs/dbraw/zinc/31/95/18/1067319518.db2.gz DMYOQZRVSIUIGD-NYULUDCUSA-N 1 1 499.700 4.325 20 0 JIADMO Cc1[nH+]ccn1CCCCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001492580264 1067323999 /nfs/dbraw/zinc/32/39/99/1067323999.db2.gz ZMYWUDBGZVNZFT-NQIIRXRSSA-N 1 1 476.547 4.319 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3cccs3)n2CCC[N@H+]2CCCO[C@@H](C)C2)n1 ZINC001492495784 1067327534 /nfs/dbraw/zinc/32/75/34/1067327534.db2.gz FPYMPFLFLHDWEL-PMACEKPBSA-N 1 1 454.644 4.408 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001492498264 1067341573 /nfs/dbraw/zinc/34/15/73/1067341573.db2.gz WXZVUNLYXRGCHP-UYAOXDASSA-N 1 1 496.059 4.497 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3cscn3)n2CC[N@H+]2CCC[C@H]2C)cc1Br ZINC001300006391 1067354992 /nfs/dbraw/zinc/35/49/92/1067354992.db2.gz OCIDKNMARHWQEN-OAHLLOKOSA-N 1 1 491.459 4.293 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3cscn3)n2CC[N@H+]2CCCC(C)(C)C2)c(OC)c1 ZINC001300006809 1067355981 /nfs/dbraw/zinc/35/59/81/1067355981.db2.gz RFWBUKJRWXYZMK-UHFFFAOYSA-N 1 1 470.643 4.177 20 0 JIADMO C[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)[N@H+]1CCCC[C@@H]1C ZINC001200851977 1067357461 /nfs/dbraw/zinc/35/74/61/1067357461.db2.gz RFUUNFPCNPHGFQ-OALUTQOASA-N 1 1 450.649 4.024 20 0 JIADMO COc1ccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CC[N@@H+](C)C2CCCCC2)cc1OC ZINC001300011105 1067364288 /nfs/dbraw/zinc/36/42/88/1067364288.db2.gz VHVZWNVVLWNOJJ-HXUWFJFHSA-N 1 1 471.646 4.090 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001492554963 1067373005 /nfs/dbraw/zinc/37/30/05/1067373005.db2.gz ZRUGRZFYBWTJCQ-RJGXRXQPSA-N 1 1 487.714 4.341 20 0 JIADMO CSc1ccc(CCCC(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC001355190480 1067387329 /nfs/dbraw/zinc/38/73/29/1067387329.db2.gz TYHLIPBBGPZSMU-UHFFFAOYSA-N 1 1 459.587 4.170 20 0 JIADMO COc1ccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CCCn2cc[nH+]c2C)cc1 ZINC001300035122 1067440466 /nfs/dbraw/zinc/44/04/66/1067440466.db2.gz YRMDWOOODNUVPY-HSZRJFAPSA-N 1 1 492.546 4.079 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCn2cc[nH+]c2C)cc1OC ZINC001300041093 1067468171 /nfs/dbraw/zinc/46/81/71/1067468171.db2.gz LVRNOTNWDAMDKP-UHFFFAOYSA-N 1 1 463.369 4.067 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(OCCC(C)C)CC3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001300046943 1067498857 /nfs/dbraw/zinc/49/88/57/1067498857.db2.gz JHUFUCGVNKVUPC-UHFFFAOYSA-N 1 1 485.673 4.096 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(OCCC(C)C)CC3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001300046943 1067498867 /nfs/dbraw/zinc/49/88/67/1067498867.db2.gz JHUFUCGVNKVUPC-UHFFFAOYSA-N 1 1 485.673 4.096 20 0 JIADMO COc1ccc(-c2nnc(N3CCC=C(C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1Br ZINC001300048105 1067502373 /nfs/dbraw/zinc/50/23/73/1067502373.db2.gz PIPWJVHWLFHIMU-INIZCTEOSA-N 1 1 460.420 4.355 20 0 JIADMO CC[C@@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355544210 1067504723 /nfs/dbraw/zinc/50/47/23/1067504723.db2.gz FMQFXIYXBKBZCU-DHIUTWEWSA-N 1 1 458.643 4.465 20 0 JIADMO CC[C@@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355544210 1067504735 /nfs/dbraw/zinc/50/47/35/1067504735.db2.gz FMQFXIYXBKBZCU-DHIUTWEWSA-N 1 1 458.643 4.465 20 0 JIADMO CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355546323 1067508329 /nfs/dbraw/zinc/50/83/29/1067508329.db2.gz RMGLECUOKWRVRW-PIPMEXSNSA-N 1 1 450.501 4.269 20 0 JIADMO CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355546323 1067508354 /nfs/dbraw/zinc/50/83/54/1067508354.db2.gz RMGLECUOKWRVRW-PIPMEXSNSA-N 1 1 450.501 4.269 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1Br ZINC001300051731 1067518260 /nfs/dbraw/zinc/51/82/60/1067518260.db2.gz OAZOVJKTSKANNQ-WAIKUNEKSA-N 1 1 492.462 4.204 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001300054563 1067532865 /nfs/dbraw/zinc/53/28/65/1067532865.db2.gz YBPBSTROTGTLAQ-YADHBBJMSA-N 1 1 496.700 4.207 20 0 JIADMO COc1ccc(-c2nnc(N3CCCC3(C)C)n2CC[N@@H+](C)C(C)C)cc1Br ZINC001300055713 1067537605 /nfs/dbraw/zinc/53/76/05/1067537605.db2.gz ALTBQGKSUAYDOV-UHFFFAOYSA-N 1 1 450.425 4.435 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001492583050 1067538904 /nfs/dbraw/zinc/53/89/04/1067538904.db2.gz BOHCYEBGOSJYKK-RBBKRZOGSA-N 1 1 479.591 4.457 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300056571 1067542084 /nfs/dbraw/zinc/54/20/84/1067542084.db2.gz LNXLBJBDWAHPKB-RXVVDRJESA-N 1 1 481.563 4.233 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300056570 1067542293 /nfs/dbraw/zinc/54/22/93/1067542293.db2.gz LNXLBJBDWAHPKB-NQIIRXRSSA-N 1 1 481.563 4.233 20 0 JIADMO COc1ccc(CCNC(=S)N2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)cc1OC ZINC001200080624 1067558849 /nfs/dbraw/zinc/55/88/49/1067558849.db2.gz YJKCWRWNHONOMW-UHFFFAOYSA-N 1 1 462.059 4.371 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001492583614 1067562594 /nfs/dbraw/zinc/56/25/94/1067562594.db2.gz PMPIFLKVNXPJID-FCHUYYIVSA-N 1 1 479.591 4.313 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCC2CCOCC2)c(OC)c1 ZINC001300063969 1067574438 /nfs/dbraw/zinc/57/44/38/1067574438.db2.gz YUDLWZUWIKKIPX-UHFFFAOYSA-N 1 1 471.646 4.090 20 0 JIADMO COc1ccc(OCC(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1C ZINC001355799930 1067583366 /nfs/dbraw/zinc/58/33/66/1067583366.db2.gz LBTGHKULSNINHX-UHFFFAOYSA-N 1 1 459.590 4.339 20 0 JIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)c1 ZINC001355951927 1067616727 /nfs/dbraw/zinc/61/67/27/1067616727.db2.gz ROFQQKKAXRUIGW-UHFFFAOYSA-N 1 1 457.574 4.480 20 0 JIADMO 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 1067641042 /nfs/dbraw/zinc/64/10/42/1067641042.db2.gz RCHSVRQEBONTKX-ZRGWGRIASA-N 1 1 467.536 4.080 20 0 JIADMO COCC1(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)CCOCC1 ZINC001356123184 1067665967 /nfs/dbraw/zinc/66/59/67/1067665967.db2.gz IYKFBXLINDCUKM-UHFFFAOYSA-N 1 1 458.002 4.044 20 0 JIADMO COc1ccc([C@@H]2CCCN2c2nnc(CC(C)(C)C)n2CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC001300099271 1067670215 /nfs/dbraw/zinc/67/02/15/1067670215.db2.gz VLIRCLOIDHFESW-UPVQGACJSA-N 1 1 469.674 4.454 20 0 JIADMO COc1ccc(C[C@H](C)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300099553 1067671409 /nfs/dbraw/zinc/67/14/09/1067671409.db2.gz HOAOBHKMSZMKKW-RDPSFJRHSA-N 1 1 477.657 4.179 20 0 JIADMO COc1ccc(C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001300103253 1067682327 /nfs/dbraw/zinc/68/23/27/1067682327.db2.gz NVRUMIOJHHRSSP-FQEVSTJZSA-N 1 1 481.641 4.281 20 0 JIADMO COc1ccc(C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001300103253 1067682336 /nfs/dbraw/zinc/68/23/36/1067682336.db2.gz NVRUMIOJHHRSSP-FQEVSTJZSA-N 1 1 481.641 4.281 20 0 JIADMO CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC001356231938 1067701568 /nfs/dbraw/zinc/70/15/68/1067701568.db2.gz RGXBFSMTDXRCCY-JOCHJYFZSA-N 1 1 453.583 4.002 20 0 JIADMO CSc1cccc(N2C[C@@H](C(=O)NCc3ccccc3C[N@H+]3CCCC[C@H]3C)CC2=O)c1 ZINC001356254175 1067707991 /nfs/dbraw/zinc/70/79/91/1067707991.db2.gz LMOYTJNKGNFNRA-KNQAVFIVSA-N 1 1 451.636 4.452 20 0 JIADMO COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)c1 ZINC001356262495 1067710472 /nfs/dbraw/zinc/71/04/72/1067710472.db2.gz VCJIAAGTGAIQGS-IRLDBZIGSA-N 1 1 451.567 4.179 20 0 JIADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1nnc2ccc(C(F)(F)F)cn21 ZINC001356291442 1067717626 /nfs/dbraw/zinc/71/76/26/1067717626.db2.gz OBYZIIKRHOCXNJ-UYAOXDASSA-N 1 1 459.516 4.159 20 0 JIADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cc(-c4ccccc4C(F)(F)F)on3)cc2)CC1 ZINC001356299562 1067719380 /nfs/dbraw/zinc/71/93/80/1067719380.db2.gz NEEYGVQBEAPEBB-UHFFFAOYSA-N 1 1 458.440 4.000 20 0 JIADMO COc1ccc(CCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300113768 1067719521 /nfs/dbraw/zinc/71/95/21/1067719521.db2.gz IIGPNHBRSWQSQG-VXKWHMMOSA-N 1 1 499.700 4.028 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001356353689 1067733890 /nfs/dbraw/zinc/73/38/90/1067733890.db2.gz BNTVYZDFAYAGGG-DNVFCKCGSA-N 1 1 453.583 4.235 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC=C(Br)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC001300119557 1067734182 /nfs/dbraw/zinc/73/41/82/1067734182.db2.gz HYGBMNWRVMAFIW-KRWDZBQOSA-N 1 1 474.447 4.044 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001356354773 1067734335 /nfs/dbraw/zinc/73/43/35/1067734335.db2.gz KWDNOFBZJWFJIR-LGVFNWMJSA-N 1 1 451.611 4.416 20 0 JIADMO Cc1ccc(NC(=S)N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c(Br)c1 ZINC001200144498 1067748639 /nfs/dbraw/zinc/74/86/39/1067748639.db2.gz LBISMZSHVPMFHH-UHFFFAOYSA-N 1 1 450.450 4.352 20 0 JIADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N(C)c2cccc(S(C)(=O)=O)c2)c1 ZINC001356490392 1067762797 /nfs/dbraw/zinc/76/27/97/1067762797.db2.gz DFAPUMLKZLYWBM-IZZNHLLZSA-N 1 1 462.615 4.277 20 0 JIADMO 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 1067765294 /nfs/dbraw/zinc/76/52/94/1067765294.db2.gz ICCOKDNWOGBHIA-RLYAYYKLSA-N 1 1 455.643 4.441 20 0 JIADMO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[N@H+]1Cc1ccccc1 ZINC001356503762 1067765678 /nfs/dbraw/zinc/76/56/78/1067765678.db2.gz TULPLUIKNFGVQC-IQWFGDOHSA-N 1 1 472.427 4.339 20 0 JIADMO CSc1ccc(N2C[C@H](C(=O)NCC[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2=O)cc1 ZINC001356502160 1067765955 /nfs/dbraw/zinc/76/59/55/1067765955.db2.gz NJDZDKMSSBABBF-KSEOMHKRSA-N 1 1 451.636 4.178 20 0 JIADMO Cc1ccc(NC(=S)N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)c(Br)c1 ZINC001200155688 1067777767 /nfs/dbraw/zinc/77/77/67/1067777767.db2.gz GZOVQKWVRJLDPG-WGSAOQKQSA-N 1 1 465.505 4.383 20 0 JIADMO Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001356561920 1067779024 /nfs/dbraw/zinc/77/90/24/1067779024.db2.gz LKMOQKLWNCPETB-OALUTQOASA-N 1 1 453.558 4.415 20 0 JIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cc(-c2ccc(Br)cc2)no1 ZINC001356581730 1067783476 /nfs/dbraw/zinc/78/34/76/1067783476.db2.gz BFABTVPUVSVDGD-UHFFFAOYSA-N 1 1 456.340 4.231 20 0 JIADMO Cc1ccc(Nc2nc(N)nc(C[N@@H+]3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)n2)cc1 ZINC000507946992 1067798130 /nfs/dbraw/zinc/79/81/30/1067798130.db2.gz BCLMDRPUTNVIIR-QGZVFWFLSA-N 1 1 460.517 4.075 20 0 JIADMO Cc1ccc(Nc2nc(N)nc(C[N@H+]3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)n2)cc1 ZINC000507946992 1067798146 /nfs/dbraw/zinc/79/81/46/1067798146.db2.gz BCLMDRPUTNVIIR-QGZVFWFLSA-N 1 1 460.517 4.075 20 0 JIADMO Cc1c(C(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001352909957 1067798302 /nfs/dbraw/zinc/79/83/02/1067798302.db2.gz DUJHFBMKPVNEGI-OAHLLOKOSA-N 1 1 457.500 4.416 20 0 JIADMO COc1ccc(CCn2c(CC(C)(C)C)nnc2N2CC[N@H+](C3CCC3)C[C@H](C)C2)c(OC)c1 ZINC001300148362 1067802487 /nfs/dbraw/zinc/80/24/87/1067802487.db2.gz CBHPUHGXKPZZRZ-FQEVSTJZSA-N 1 1 469.674 4.437 20 0 JIADMO Cc1ccc(NC(=O)C2=Cc3ccccc3O[C@@H]2C(F)F)cc1NC(=O)C[NH+]1CCCCC1 ZINC001357210410 1067819158 /nfs/dbraw/zinc/81/91/58/1067819158.db2.gz VBYWWIPIOHCBPU-QHCPKHFHSA-N 1 1 455.505 4.468 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1F ZINC001300163994 1067821071 /nfs/dbraw/zinc/82/10/71/1067821071.db2.gz GAKDMQDEUWAMJC-QFIPXVFZSA-N 1 1 452.578 4.245 20 0 JIADMO Cc1cccc(Cl)c1NC(=S)N1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001200192888 1067826367 /nfs/dbraw/zinc/82/63/67/1067826367.db2.gz ZTUSTRRAOWYLEK-UHFFFAOYSA-N 1 1 453.052 4.362 20 0 JIADMO Cc1cccc(Cl)c1NC(=S)N1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001200194979 1067828120 /nfs/dbraw/zinc/82/81/20/1067828120.db2.gz MXOHMSFHUBSXCP-INIZCTEOSA-N 1 1 453.052 4.409 20 0 JIADMO Cc1ccc(CC(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)c(Br)c1 ZINC001357285510 1067830672 /nfs/dbraw/zinc/83/06/72/1067830672.db2.gz PVQPSVOBNOVQEJ-UHFFFAOYSA-N 1 1 456.384 4.226 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CC[N@@H+](C)C2CCCCC2)cc1C ZINC001300175215 1067834373 /nfs/dbraw/zinc/83/43/73/1067834373.db2.gz XICJYWIQZMURKX-JOCHJYFZSA-N 1 1 455.647 4.390 20 0 JIADMO C[C@H](CNC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC001357336727 1067835851 /nfs/dbraw/zinc/83/58/51/1067835851.db2.gz AXUDPKYKHKIPFM-CYBMUJFWSA-N 1 1 452.477 4.268 20 0 JIADMO C[C@H](CNC(=O)c1cnn(-c2cccc(F)c2)c1C(F)(F)F)[N@H+]1CCc2sccc2C1 ZINC001357336727 1067835853 /nfs/dbraw/zinc/83/58/53/1067835853.db2.gz AXUDPKYKHKIPFM-CYBMUJFWSA-N 1 1 452.477 4.268 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCC[C@H](C)C2)cc1F ZINC001300176710 1067837457 /nfs/dbraw/zinc/83/74/57/1067837457.db2.gz CVABJGNQWHWWCO-KRWDZBQOSA-N 1 1 472.634 4.150 20 0 JIADMO O=S(=O)(N[C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1)c1ccc(Cl)c2ccccc21 ZINC001200202310 1067837881 /nfs/dbraw/zinc/83/78/81/1067837881.db2.gz MUOZDVJCVMKATL-MXVIHJGJSA-N 1 1 462.059 4.110 20 0 JIADMO Cc1cc(Br)cc(C)c1NC(=S)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001200221198 1067861923 /nfs/dbraw/zinc/86/19/23/1067861923.db2.gz AUOIBTCHUVYKBY-TZIWHRDSSA-N 1 1 489.483 4.381 20 0 JIADMO COc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c(F)c1 ZINC001300209961 1067880885 /nfs/dbraw/zinc/88/08/85/1067880885.db2.gz AWQBQXUKPHOFIK-NBGIEHNGSA-N 1 1 497.663 4.316 20 0 JIADMO COc1ccc(-c2cncc(C(=O)Nc3ccc(C[N@H+]4CCC[C@H](C(N)=O)C4)cc3)c2)c(C)c1 ZINC001357644081 1067881871 /nfs/dbraw/zinc/88/18/71/1067881871.db2.gz FSVCHWHVWZRNAW-FQEVSTJZSA-N 1 1 458.562 4.015 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001492559600 1067885132 /nfs/dbraw/zinc/88/51/32/1067885132.db2.gz HNVAIRCXUIZABH-SFTDATJTSA-N 1 1 455.647 4.004 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001492559600 1067885133 /nfs/dbraw/zinc/88/51/33/1067885133.db2.gz HNVAIRCXUIZABH-SFTDATJTSA-N 1 1 455.647 4.004 20 0 JIADMO O=C(Nc1cc(F)c(I)c(F)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357730043 1067891902 /nfs/dbraw/zinc/89/19/02/1067891902.db2.gz NMOVMVUGLFYDHF-AWEZNQCLSA-N 1 1 456.274 4.420 20 0 JIADMO Cc1cc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)nn1-c1ccc(Cl)cc1Cl ZINC001357772744 1067897688 /nfs/dbraw/zinc/89/76/88/1067897688.db2.gz XHPGGNDEJJOMGB-QFIPXVFZSA-N 1 1 458.393 4.415 20 0 JIADMO CCc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cnn1-c1ccccc1OC ZINC001357802885 1067902311 /nfs/dbraw/zinc/90/23/11/1067902311.db2.gz CNYOXVWMNSXYON-UHFFFAOYSA-N 1 1 453.974 4.101 20 0 JIADMO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001200286690 1067962786 /nfs/dbraw/zinc/96/27/86/1067962786.db2.gz IJEXKYGJLZOVAU-NRFANRHFSA-N 1 1 452.661 4.037 20 0 JIADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001492561665 1068004814 /nfs/dbraw/zinc/00/48/14/1068004814.db2.gz LNJFXNKWCUXIED-XLIONFOSSA-N 1 1 462.520 4.395 20 0 JIADMO 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 1068024094 /nfs/dbraw/zinc/02/40/94/1068024094.db2.gz QBZFXKQNZXFHTD-DWXRJYCRSA-N 1 1 454.615 4.124 20 0 JIADMO COc1ccc(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300269378 1068045488 /nfs/dbraw/zinc/04/54/88/1068045488.db2.gz MCNOGWOLHZYFJB-YUMYIRISSA-N 1 1 455.647 4.468 20 0 JIADMO COc1ccc(OCc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300270898 1068049763 /nfs/dbraw/zinc/04/97/63/1068049763.db2.gz IOXPWSMDHVUHNR-VWLOTQADSA-N 1 1 497.684 4.405 20 0 JIADMO Cc1ccc2c(ccc(C)c2C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)c1 ZINC001358274137 1068057351 /nfs/dbraw/zinc/05/73/51/1068057351.db2.gz MHLPQEOKTVPPFH-UHFFFAOYSA-N 1 1 451.592 4.035 20 0 JIADMO Cc1ccc2c(ccc(C)c2C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)c1 ZINC001358274137 1068057359 /nfs/dbraw/zinc/05/73/59/1068057359.db2.gz MHLPQEOKTVPPFH-UHFFFAOYSA-N 1 1 451.592 4.035 20 0 JIADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3sc4cccc(F)c4c3Cl)CC2)CC1 ZINC001353356968 1068057827 /nfs/dbraw/zinc/05/78/27/1068057827.db2.gz SQRRKYDDHMGGRV-UHFFFAOYSA-N 1 1 451.995 4.100 20 0 JIADMO Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)nn1-c1cccc(C(F)(F)F)c1 ZINC001358293894 1068062060 /nfs/dbraw/zinc/06/20/60/1068062060.db2.gz QKKOGNQXEYIPML-UHFFFAOYSA-N 1 1 458.484 4.327 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(Br)cccc1Br ZINC001358438505 1068091068 /nfs/dbraw/zinc/09/10/68/1068091068.db2.gz KBLDKFNDVLQULM-DYVFJYSZSA-N 1 1 452.190 4.462 20 0 JIADMO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001358439118 1068091624 /nfs/dbraw/zinc/09/16/24/1068091624.db2.gz RACCJXCIGXXNBW-PTJQVGQKSA-N 1 1 457.618 4.160 20 0 JIADMO Cc1ccc(CN2C[C@H](C(=O)NC[C@H]3CCCC[N@@H+]3Cc3cccc(Cl)c3)CC2=O)cc1 ZINC001358478457 1068099681 /nfs/dbraw/zinc/09/96/81/1068099681.db2.gz FLXGKRKNGPYPSU-ISKFKSNPSA-N 1 1 454.014 4.168 20 0 JIADMO Cc1ccc(CN2C[C@H](C(=O)NC[C@H]3CCCC[N@H+]3Cc3cccc(Cl)c3)CC2=O)cc1 ZINC001358478457 1068099698 /nfs/dbraw/zinc/09/96/98/1068099698.db2.gz FLXGKRKNGPYPSU-ISKFKSNPSA-N 1 1 454.014 4.168 20 0 JIADMO COc1ccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300295640 1068115231 /nfs/dbraw/zinc/11/52/31/1068115231.db2.gz FDDZZCUEOZJOEK-YADHBBJMSA-N 1 1 485.673 4.382 20 0 JIADMO Cc1cc(NC(=O)[C@H](C)SCC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)no1 ZINC000604193432 1068146216 /nfs/dbraw/zinc/14/62/16/1068146216.db2.gz VMFZPCAYFLMKKH-SFHVURJKSA-N 1 1 458.628 4.124 20 0 JIADMO Cc1ccc(NC(=S)N[C@@H]2CC[N@H+](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c(Cl)c1 ZINC001200346418 1068166085 /nfs/dbraw/zinc/16/60/85/1068166085.db2.gz MSULKXKJCLNTNG-MRXNPFEDSA-N 1 1 453.052 4.409 20 0 JIADMO C[N@H+]1CCCC[C@H](CNC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001200364654 1068253053 /nfs/dbraw/zinc/25/30/53/1068253053.db2.gz OIIUGZHPGJOEAB-CQSZACIVSA-N 1 1 450.370 4.494 20 0 JIADMO O=C(Nc1nnc(C(F)(F)F)s1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000514503677 1068254443 /nfs/dbraw/zinc/25/44/43/1068254443.db2.gz QOQJQSCIVWIURX-UHFFFAOYSA-N 1 1 453.412 4.316 20 0 JIADMO C[N@@H+](CCCNC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1)Cc1ccccc1 ZINC001353537860 1068302439 /nfs/dbraw/zinc/30/24/39/1068302439.db2.gz BVULMMVIMASBPO-NKFKGCMQSA-N 1 1 458.591 4.038 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(Cc4ccsc4)n3C[C@@](C)(O)C(C)C)CC2)c1 ZINC001300335648 1068308737 /nfs/dbraw/zinc/30/87/37/1068308737.db2.gz VDPDNGABSCFFMS-RXFWQSSRSA-N 1 1 483.682 4.229 20 0 JIADMO COC(=O)c1cc(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)ccc1C ZINC001353560009 1068323282 /nfs/dbraw/zinc/32/32/82/1068323282.db2.gz OOEZECZYJSDRPQ-UHFFFAOYSA-N 1 1 457.574 4.352 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Nc3nnc(Cc4ccccc4F)s3)cc2)C[C@H](C)O1 ZINC000521747940 1068334723 /nfs/dbraw/zinc/33/47/23/1068334723.db2.gz DYQTZRKOKFMHPV-CALCHBBNSA-N 1 1 469.586 4.199 20 0 JIADMO CCc1nc(C[NH+]2CCC(CNC(=O)c3cccc(CNc4ccnc(C)n4)c3)CC2)cs1 ZINC000622365914 1068361774 /nfs/dbraw/zinc/36/17/74/1068361774.db2.gz JZOHKYQZHJIZLA-UHFFFAOYSA-N 1 1 464.639 4.058 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001300377807 1068457709 /nfs/dbraw/zinc/45/77/09/1068457709.db2.gz LXUCIKZDTRQMTD-SFTDATJTSA-N 1 1 498.672 4.179 20 0 JIADMO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(CC(C)C)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001300405245 1068566920 /nfs/dbraw/zinc/56/69/20/1068566920.db2.gz ZUODNFQPMSEXAR-REWPJTCUSA-N 1 1 455.647 4.184 20 0 JIADMO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(CC(C)C)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001300405245 1068566936 /nfs/dbraw/zinc/56/69/36/1068566936.db2.gz ZUODNFQPMSEXAR-REWPJTCUSA-N 1 1 455.647 4.184 20 0 JIADMO COc1cccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cc[nH+]c2C)c1 ZINC001300420476 1068631579 /nfs/dbraw/zinc/63/15/79/1068631579.db2.gz YMATXCNVPKNHCB-UHFFFAOYSA-N 1 1 484.402 4.276 20 0 JIADMO COc1cccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001300420701 1068633432 /nfs/dbraw/zinc/63/34/32/1068633432.db2.gz HNULRJCZUCTTBP-RBUKOAKNSA-N 1 1 468.671 4.399 20 0 JIADMO COc1cccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCC[C@H](C)C2)c1 ZINC001300420898 1068635395 /nfs/dbraw/zinc/63/53/95/1068635395.db2.gz NDUKOIRPZBJLQK-SFHVURJKSA-N 1 1 454.644 4.011 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1nn(-c2ccccc2)cc1Br ZINC001353857536 1068674829 /nfs/dbraw/zinc/67/48/29/1068674829.db2.gz YTLYODNUPQORSW-GOSISDBHSA-N 1 1 453.384 4.371 20 0 JIADMO C[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001300436698 1068699601 /nfs/dbraw/zinc/69/96/01/1068699601.db2.gz XDZSTAPXVQSRNS-YFNKSVMNSA-N 1 1 457.659 4.435 20 0 JIADMO CC[C@H](C)NC(=S)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001200491279 1068733788 /nfs/dbraw/zinc/73/37/88/1068733788.db2.gz HEQZKSOYXMZHAO-UNMCSNQZSA-N 1 1 474.715 4.398 20 0 JIADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC001353907088 1068740297 /nfs/dbraw/zinc/74/02/97/1068740297.db2.gz WFEGGMHYEKAROK-GUXZUNJZSA-N 1 1 460.643 4.141 20 0 JIADMO COc1cccc(CNC(=S)NC2CC[NH+](Cc3ccccc3Br)CC2)c1OC ZINC001200528659 1068827717 /nfs/dbraw/zinc/82/77/17/1068827717.db2.gz QUJDEMNKDKSJMS-UHFFFAOYSA-N 1 1 478.456 4.095 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300481115 1068835139 /nfs/dbraw/zinc/83/51/39/1068835139.db2.gz LRWBGBUICVNQSZ-HFMPRLQTSA-N 1 1 455.647 4.183 20 0 JIADMO COc1ccccc1-c1nnc(N2CC=C(C(C)(C)C)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001300481183 1068835249 /nfs/dbraw/zinc/83/52/49/1068835249.db2.gz HYCBWUDWVIUGPI-JOCHJYFZSA-N 1 1 467.658 4.373 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001300482202 1068837594 /nfs/dbraw/zinc/83/75/94/1068837594.db2.gz LJVQIUKQTBHGEQ-LEWJYISDSA-N 1 1 455.647 4.183 20 0 JIADMO COc1cc(NC(=S)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(OC)cc1Cl ZINC001200534552 1068843146 /nfs/dbraw/zinc/84/31/46/1068843146.db2.gz DUXDVPXZRRGPTR-UHFFFAOYSA-N 1 1 482.071 4.483 20 0 JIADMO COc1cc(NC(=S)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(OC)cc1Cl ZINC001200534552 1068843147 /nfs/dbraw/zinc/84/31/47/1068843147.db2.gz DUXDVPXZRRGPTR-UHFFFAOYSA-N 1 1 482.071 4.483 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCC1CCOCC1 ZINC001300486223 1068846686 /nfs/dbraw/zinc/84/66/86/1068846686.db2.gz TVUJAAMMNFQSCE-UHFFFAOYSA-N 1 1 455.647 4.327 20 0 JIADMO COc1cc(NC(=S)N2CC[C@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)c(OC)cc1Cl ZINC001200536372 1068849770 /nfs/dbraw/zinc/84/97/70/1068849770.db2.gz ZASARNJJSFCJKJ-BBRMVZONSA-N 1 1 453.033 4.107 20 0 JIADMO COc1cc(NC(=S)N2CC[C@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)c(OC)cc1Cl ZINC001200536372 1068849771 /nfs/dbraw/zinc/84/97/71/1068849771.db2.gz ZASARNJJSFCJKJ-BBRMVZONSA-N 1 1 453.033 4.107 20 0 JIADMO COc1cc(NC(=S)N2CC[C@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)c(OC)cc1Cl ZINC001200536373 1068849916 /nfs/dbraw/zinc/84/99/16/1068849916.db2.gz ZASARNJJSFCJKJ-CJNGLKHVSA-N 1 1 453.033 4.107 20 0 JIADMO COc1cc(NC(=S)N2CC[C@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)c(OC)cc1Cl ZINC001200536373 1068849922 /nfs/dbraw/zinc/84/99/22/1068849922.db2.gz ZASARNJJSFCJKJ-CJNGLKHVSA-N 1 1 453.033 4.107 20 0 JIADMO COCC[S@](=O)Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001200542331 1068858885 /nfs/dbraw/zinc/85/88/85/1068858885.db2.gz KKOKDZYWYJIMKZ-RGZAKNEDSA-N 1 1 457.640 4.099 20 0 JIADMO NC(=O)COc1ccc(OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC001354043610 1068860050 /nfs/dbraw/zinc/86/00/50/1068860050.db2.gz FWTFIJUXMDRYSW-BJKOFHAPSA-N 1 1 464.949 4.025 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001300496235 1068864479 /nfs/dbraw/zinc/86/44/79/1068864479.db2.gz GFVXNWMACBVLRG-ATIYNZHBSA-N 1 1 455.647 4.470 20 0 JIADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC001200549830 1068870627 /nfs/dbraw/zinc/87/06/27/1068870627.db2.gz RDTYEWNSKFBTFP-KRWDZBQOSA-N 1 1 457.880 4.169 20 0 JIADMO 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 1068933811 /nfs/dbraw/zinc/93/38/11/1068933811.db2.gz FAJOOXBVYCBWRD-FDFHNCONSA-N 1 1 471.690 4.440 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)C2CCC(C)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300530943 1068942059 /nfs/dbraw/zinc/94/20/59/1068942059.db2.gz FSALTZVZANDNSF-HQNXYIODSA-N 1 1 469.674 4.249 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)Cc2cnn(C)c2C)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300536935 1068959513 /nfs/dbraw/zinc/95/95/13/1068959513.db2.gz LKKJNVQWDCJAPZ-HXUWFJFHSA-N 1 1 479.673 4.066 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCCCC1(F)F ZINC001300541852 1068974815 /nfs/dbraw/zinc/97/48/15/1068974815.db2.gz HAOOQEZRZJWEDN-VWPQPMDRSA-N 1 1 491.627 4.248 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CCCCC1(F)F ZINC001300541852 1068974826 /nfs/dbraw/zinc/97/48/26/1068974826.db2.gz HAOOQEZRZJWEDN-VWPQPMDRSA-N 1 1 491.627 4.248 20 0 JIADMO C[C@]12CC[N@@H+](Cc3cn4ccc(Br)cc4n3)C[C@H]1C2(Br)Br ZINC001474625901 1068978370 /nfs/dbraw/zinc/97/83/70/1068978370.db2.gz QZVRRGOTXBBKFV-OCCSQVGLSA-N 1 1 478.026 4.425 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001492586353 1069002581 /nfs/dbraw/zinc/00/25/81/1069002581.db2.gz DWMSAXRUOWHDDS-VXKWHMMOSA-N 1 1 482.673 4.107 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@@H](C)OC ZINC001300560775 1069029110 /nfs/dbraw/zinc/02/91/10/1069029110.db2.gz BRSNADIFOIEZRS-BHDDXSALSA-N 1 1 455.647 4.003 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCSCC(F)(F)F ZINC001492588408 1069034130 /nfs/dbraw/zinc/03/41/30/1069034130.db2.gz QDUFTBQUDHRXLG-LJQANCHMSA-N 1 1 453.578 4.147 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@](C)(OC)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001300562331 1069036691 /nfs/dbraw/zinc/03/66/91/1069036691.db2.gz JKBUZFBDHMONBN-NVQXNPDNSA-N 1 1 455.647 4.003 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001300563129 1069039965 /nfs/dbraw/zinc/03/99/65/1069039965.db2.gz NAUUNECCRDVUSW-YIXXDRMTSA-N 1 1 469.674 4.393 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCCn1cc[nH+]c1C ZINC001300563302 1069040697 /nfs/dbraw/zinc/04/06/97/1069040697.db2.gz QAGQOHMFSGJNTI-QFIPXVFZSA-N 1 1 466.630 4.257 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(c3nc4ccccc4s3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849482822 1069051911 /nfs/dbraw/zinc/05/19/11/1069051911.db2.gz TVRLXJFWLWHEOA-RTWAWAEBSA-N 1 1 451.640 4.250 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cn1 ZINC000849487878 1069053790 /nfs/dbraw/zinc/05/37/90/1069053790.db2.gz ATRHZMPKXVDHCW-RTBURBONSA-N 1 1 463.529 4.160 20 0 JIADMO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849487681 1069054599 /nfs/dbraw/zinc/05/45/99/1069054599.db2.gz MFKGWURRQMVLSE-MSOLQXFVSA-N 1 1 480.440 4.028 20 0 JIADMO Cc1ccc(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1NC(=O)Nc1ccccc1 ZINC001300566293 1069056099 /nfs/dbraw/zinc/05/60/99/1069056099.db2.gz FAARPSCRZAMEFX-DEOSSOPVSA-N 1 1 458.562 4.136 20 0 JIADMO CC(=O)c1sc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849489875 1069056417 /nfs/dbraw/zinc/05/64/17/1069056417.db2.gz SYPNQPATTWENDN-VQTJNVASSA-N 1 1 451.596 4.199 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@H]2CSC)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300566396 1069057177 /nfs/dbraw/zinc/05/71/77/1069057177.db2.gz ACECXGLNTDDKNF-VWPQPMDRSA-N 1 1 487.714 4.097 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849489746 1069057550 /nfs/dbraw/zinc/05/75/50/1069057550.db2.gz LCDKZXYCFLTDEU-ZEQRLZLVSA-N 1 1 475.641 4.248 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)[C@H](c2cnn(C)c2)C1 ZINC000849490826 1069058516 /nfs/dbraw/zinc/05/85/16/1069058516.db2.gz PULAYBHYCGLILL-UXHICEINSA-N 1 1 463.607 4.420 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)cn1 ZINC000849492149 1069059598 /nfs/dbraw/zinc/05/95/98/1069059598.db2.gz VSSMNSRHVPTDDN-TZIWHRDSSA-N 1 1 497.393 4.076 20 0 JIADMO CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c1 ZINC000849493234 1069061574 /nfs/dbraw/zinc/06/15/74/1069061574.db2.gz ITGWQUKVIWLGCX-BAURHKQJSA-N 1 1 473.621 4.204 20 0 JIADMO COc1cc(CN(C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C2CC2)ccc1OC(F)F ZINC000849492445 1069062671 /nfs/dbraw/zinc/06/26/71/1069062671.db2.gz WZRUIGFZXCSCHO-NHCUHLMSSA-N 1 1 476.568 4.035 20 0 JIADMO Cc1cc(C)nc(Sc2ccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)n1 ZINC000849494297 1069063871 /nfs/dbraw/zinc/06/38/71/1069063871.db2.gz SNWFFOXJOAFQSC-DHIUTWEWSA-N 1 1 464.639 4.431 20 0 JIADMO COc1c(Br)cc(Cl)cc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849493797 1069064606 /nfs/dbraw/zinc/06/46/06/1069064606.db2.gz ZVCAEEHJVSXGRS-CVEARBPZSA-N 1 1 469.811 4.297 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)[C@@H](c2cnn(C)c2)C1 ZINC000849496505 1069069354 /nfs/dbraw/zinc/06/93/54/1069069354.db2.gz KPTQDKZVZIUVFG-RTBURBONSA-N 1 1 469.973 4.371 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cn1 ZINC000849499305 1069069458 /nfs/dbraw/zinc/06/94/58/1069069458.db2.gz VDXRKXZATNJCRW-RPWUZVMVSA-N 1 1 498.096 4.182 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCc2ccc(OCc3ccccc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849500145 1069072197 /nfs/dbraw/zinc/07/21/97/1069072197.db2.gz GRFOWMFEZDAYAC-SXOMAYOGSA-N 1 1 460.622 4.172 20 0 JIADMO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849500119 1069072216 /nfs/dbraw/zinc/07/22/16/1069072216.db2.gz GPSGSVKXEJRZFD-BJKOFHAPSA-N 1 1 459.594 4.433 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849501500 1069073997 /nfs/dbraw/zinc/07/39/97/1069073997.db2.gz MVLDUYFSJVQFMD-SFTDATJTSA-N 1 1 470.017 4.435 20 0 JIADMO 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 1069079509 /nfs/dbraw/zinc/07/95/09/1069079509.db2.gz YAAKRTSLGZJCCM-SJORKVTESA-N 1 1 481.519 4.460 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849503864 1069082327 /nfs/dbraw/zinc/08/23/27/1069082327.db2.gz LZZARQFVIFHTJF-FTJBHMTQSA-N 1 1 473.621 4.078 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849505365 1069084097 /nfs/dbraw/zinc/08/40/97/1069084097.db2.gz SEFPZGZKGZCCNG-GKBBYZSKSA-N 1 1 461.610 4.085 20 0 JIADMO CCOc1cc(Br)c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1OCC ZINC000849504697 1069084167 /nfs/dbraw/zinc/08/41/67/1069084167.db2.gz DMPHOECCUDKIBH-ROUUACIJSA-N 1 1 493.446 4.433 20 0 JIADMO Cc1ccc(C(=O)Nc2cccc(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c2)cc1 ZINC000849505948 1069086153 /nfs/dbraw/zinc/08/61/53/1069086153.db2.gz KRHQLONKQASURM-CLJLJLNGSA-N 1 1 473.621 4.111 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)C2CCC(C)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001492574819 1069086161 /nfs/dbraw/zinc/08/61/61/1069086161.db2.gz AVYWAWBAYSPWON-UHFFFAOYSA-N 1 1 466.718 4.466 20 0 JIADMO Cc1ccc(C(=O)Nc2cccc(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)cc1 ZINC000849505949 1069086319 /nfs/dbraw/zinc/08/63/19/1069086319.db2.gz KRHQLONKQASURM-FTJBHMTQSA-N 1 1 473.621 4.111 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849507757 1069088961 /nfs/dbraw/zinc/08/89/61/1069088961.db2.gz SNJQQQCOTPFOPR-RTBURBONSA-N 1 1 469.973 4.371 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC2(c3ccc(Br)cc3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849510215 1069090725 /nfs/dbraw/zinc/09/07/25/1069090725.db2.gz PHRWHBAZMDBFSG-NHCUHLMSSA-N 1 1 459.432 4.192 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849513181 1069096952 /nfs/dbraw/zinc/09/69/52/1069096952.db2.gz AOLXCRBHSKYGII-ZEQRLZLVSA-N 1 1 462.642 4.415 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849514173 1069098046 /nfs/dbraw/zinc/09/80/46/1069098046.db2.gz AEZWEHRWODGAJE-UIOOFZCWSA-N 1 1 463.601 4.040 20 0 JIADMO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000849515380 1069098724 /nfs/dbraw/zinc/09/87/24/1069098724.db2.gz GEQRPXUTQCILPC-IAGOWNOFSA-N 1 1 480.922 4.260 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)[C@H](c2cnn(C)c2)C1 ZINC000849514534 1069098821 /nfs/dbraw/zinc/09/88/21/1069098821.db2.gz CCATVOIKBSMVLJ-MOPGFXCFSA-N 1 1 459.566 4.359 20 0 JIADMO 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 1069098994 /nfs/dbraw/zinc/09/89/94/1069098994.db2.gz KHTOCGRIXYUKIV-LEWJYISDSA-N 1 1 466.548 4.356 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849514536 1069099176 /nfs/dbraw/zinc/09/91/76/1069099176.db2.gz CCATVOIKBSMVLJ-RBUKOAKNSA-N 1 1 459.566 4.359 20 0 JIADMO Cc1cc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000849515385 1069099235 /nfs/dbraw/zinc/09/92/35/1069099235.db2.gz GEQRPXUTQCILPC-IRXDYDNUSA-N 1 1 480.922 4.260 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849515111 1069099704 /nfs/dbraw/zinc/09/97/04/1069099704.db2.gz FFRHSCMDKIALBC-OALUTQOASA-N 1 1 475.424 4.424 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)cn1 ZINC000849515602 1069102446 /nfs/dbraw/zinc/10/24/46/1069102446.db2.gz MFACATKPMFTGSO-UXHICEINSA-N 1 1 464.591 4.017 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849517997 1069106061 /nfs/dbraw/zinc/10/60/61/1069106061.db2.gz MQZZDHCDHDSXMQ-DNQXCXABSA-N 1 1 463.651 4.497 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849519459 1069108042 /nfs/dbraw/zinc/10/80/42/1069108042.db2.gz RLVAFJBDDDZCFJ-UIOOFZCWSA-N 1 1 485.632 4.005 20 0 JIADMO 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 1069111272 /nfs/dbraw/zinc/11/12/72/1069111272.db2.gz JUOKYSJPQNSOQC-ROUUACIJSA-N 1 1 499.965 4.003 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849519823 1069112790 /nfs/dbraw/zinc/11/27/90/1069112790.db2.gz UAZFQMWDERPAEC-SXOMAYOGSA-N 1 1 499.659 4.395 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cn1 ZINC000849522710 1069116641 /nfs/dbraw/zinc/11/66/41/1069116641.db2.gz NOURWTFEMNHDFU-PMACEKPBSA-N 1 1 459.472 4.300 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849525934 1069121635 /nfs/dbraw/zinc/12/16/35/1069121635.db2.gz PRDIUZXAXRTXKC-BJKOFHAPSA-N 1 1 466.626 4.324 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)cn1 ZINC000849526072 1069123414 /nfs/dbraw/zinc/12/34/14/1069123414.db2.gz UEUHWZXAOZYVHM-PZJWPPBQSA-N 1 1 490.583 4.218 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(-c3cccc(Br)c3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849529318 1069130154 /nfs/dbraw/zinc/13/01/54/1069130154.db2.gz ZEPGLURGCJXDRM-ROUUACIJSA-N 1 1 489.443 4.154 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC23CCOCC3)cn1 ZINC000849531218 1069135377 /nfs/dbraw/zinc/13/53/77/1069135377.db2.gz HDBDUBUOZVZXIQ-VRUMLPLGSA-N 1 1 480.653 4.142 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC23CCOCC3)cn1 ZINC000849531218 1069135387 /nfs/dbraw/zinc/13/53/87/1069135387.db2.gz HDBDUBUOZVZXIQ-VRUMLPLGSA-N 1 1 480.653 4.142 20 0 JIADMO CC(C)Cn1cc([C@H]2N(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC23CCOCC3)cn1 ZINC000849534678 1069151680 /nfs/dbraw/zinc/15/16/80/1069151680.db2.gz LPSVKZRKFGISPU-UKILVPOCSA-N 1 1 450.627 4.131 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)[C@H](c2cnn(C)c2)C1 ZINC000849547164 1069183854 /nfs/dbraw/zinc/18/38/54/1069183854.db2.gz FVTQMRCKSYVAEN-PKTZIBPZSA-N 1 1 481.641 4.166 20 0 JIADMO CCCCOCCN(C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)c1ccc(Br)cc1 ZINC000849548568 1069188051 /nfs/dbraw/zinc/18/80/51/1069188051.db2.gz NAJPFBJSLZGHMM-VXKWHMMOSA-N 1 1 477.447 4.068 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cn1 ZINC000849548513 1069188337 /nfs/dbraw/zinc/18/83/37/1069188337.db2.gz NZFZXEZUGDVFFT-RTBURBONSA-N 1 1 459.472 4.300 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)cn1 ZINC000849551692 1069195073 /nfs/dbraw/zinc/19/50/73/1069195073.db2.gz BLMRIVCPHQNOIS-NYDSKATKSA-N 1 1 458.940 4.293 20 0 JIADMO Cc1cc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)ccc1F ZINC000849554370 1069196227 /nfs/dbraw/zinc/19/62/27/1069196227.db2.gz MNGVJUHOUBFICE-IZIIKQMZSA-N 1 1 454.977 4.462 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)cn1 ZINC000849554166 1069197246 /nfs/dbraw/zinc/19/72/46/1069197246.db2.gz UZLSIKRBZZAAPQ-VQTJNVASSA-N 1 1 458.488 4.252 20 0 JIADMO 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 1069197959 /nfs/dbraw/zinc/19/79/59/1069197959.db2.gz KAKLPNOLMXOBFC-FGZHOGPDSA-N 1 1 456.587 4.211 20 0 JIADMO COc1cccc([C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)c1 ZINC000849553825 1069198555 /nfs/dbraw/zinc/19/85/55/1069198555.db2.gz TUJHGNAHGLJINP-SSPYTLHUSA-N 1 1 452.986 4.023 20 0 JIADMO 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 1069198569 /nfs/dbraw/zinc/19/85/69/1069198569.db2.gz KAKLPNOLMXOBFC-FCHUYYIVSA-N 1 1 456.587 4.211 20 0 JIADMO COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c1 ZINC000849556080 1069202398 /nfs/dbraw/zinc/20/23/98/1069202398.db2.gz VHWTYSJDEPJNHR-QKDODKLFSA-N 1 1 460.622 4.181 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849558715 1069206909 /nfs/dbraw/zinc/20/69/09/1069206909.db2.gz PPOPEFISKJXCKK-PZJWPPBQSA-N 1 1 467.614 4.170 20 0 JIADMO COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849560958 1069210701 /nfs/dbraw/zinc/21/07/01/1069210701.db2.gz CLABSGLRVNVNHK-RPWUZVMVSA-N 1 1 490.604 4.238 20 0 JIADMO CC(C)Oc1ccc(Br)cc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849562908 1069213499 /nfs/dbraw/zinc/21/34/99/1069213499.db2.gz HLCWGLZOOGGBJM-RBUKOAKNSA-N 1 1 463.420 4.422 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2CCc2nc(C(F)(F)F)cs2)CC1 ZINC001300610822 1069216703 /nfs/dbraw/zinc/21/67/03/1069216703.db2.gz UHUCHOAKRNKDKE-UHFFFAOYSA-N 1 1 494.587 4.450 20 0 JIADMO COc1ccc(Oc2ccc(CCNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)cc1 ZINC000849569040 1069220041 /nfs/dbraw/zinc/22/00/41/1069220041.db2.gz RGPKGUQOLCOYJU-SVBPBHIXSA-N 1 1 476.621 4.394 20 0 JIADMO CCCc1c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cnn1-c1cccc(F)c1 ZINC000849570718 1069223026 /nfs/dbraw/zinc/22/30/26/1069223026.db2.gz ASTWBFHCHBUKMR-FCHUYYIVSA-N 1 1 452.578 4.150 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@H]2OC)CC1 ZINC001300614564 1069225456 /nfs/dbraw/zinc/22/54/56/1069225456.db2.gz FFVFARGRPMBHJU-FYYLOGMGSA-N 1 1 455.647 4.013 20 0 JIADMO 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 1069226536 /nfs/dbraw/zinc/22/65/36/1069226536.db2.gz JVWGCOASWIYCEX-KMDXXIMOSA-N 1 1 486.538 4.389 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)[C@H](c2cnn(C)c2)C1 ZINC000849575077 1069226964 /nfs/dbraw/zinc/22/69/64/1069226964.db2.gz BLFYGCCPCZRMPC-FKBYEOEOSA-N 1 1 475.033 4.474 20 0 JIADMO CCOCCOc1ccc(Br)cc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849575269 1069227028 /nfs/dbraw/zinc/22/70/28/1069227028.db2.gz JTGHUEVCZPAVQE-UXHICEINSA-N 1 1 493.446 4.051 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCc3cc(Br)c(Cl)cc32)[C@H](c2cnn(C)c2)C1 ZINC000849582181 1069233141 /nfs/dbraw/zinc/23/31/41/1069233141.db2.gz LORFNBYNPHVOTK-IRXDYDNUSA-N 1 1 465.823 4.239 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCc3cc(Br)c(Cl)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849582180 1069233474 /nfs/dbraw/zinc/23/34/74/1069233474.db2.gz LORFNBYNPHVOTK-IAGOWNOFSA-N 1 1 465.823 4.239 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849582544 1069234097 /nfs/dbraw/zinc/23/40/97/1069234097.db2.gz NUNIOPDAYRSJOA-FGZHOGPDSA-N 1 1 478.559 4.075 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2cccc(Br)c2)CC2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849583824 1069235484 /nfs/dbraw/zinc/23/54/84/1069235484.db2.gz VHUTZIBBTQRZME-XZOQPEGZSA-N 1 1 473.459 4.435 20 0 JIADMO 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 1069240405 /nfs/dbraw/zinc/24/04/05/1069240405.db2.gz UYWIFGXTVKUPFP-QNWVGRARSA-N 1 1 466.523 4.350 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849588672 1069240649 /nfs/dbraw/zinc/24/06/49/1069240649.db2.gz MXMWVPHHYYMNSO-NVXWUHKLSA-N 1 1 462.982 4.184 20 0 JIADMO 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 1069243596 /nfs/dbraw/zinc/24/35/96/1069243596.db2.gz JLMKFFJJHQVHQL-VSQYNUGQSA-N 1 1 491.602 4.379 20 0 JIADMO 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 1069244279 /nfs/dbraw/zinc/24/42/79/1069244279.db2.gz KIVLMEDDUYEXGL-FGZHOGPDSA-N 1 1 499.631 4.305 20 0 JIADMO 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 1069250238 /nfs/dbraw/zinc/25/02/38/1069250238.db2.gz KWQSIBKHGPDFIL-ZVDOUQERSA-N 1 1 450.549 4.248 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849598495 1069253245 /nfs/dbraw/zinc/25/32/45/1069253245.db2.gz ZZVGBNACGFJYPY-OALUTQOASA-N 1 1 493.877 4.498 20 0 JIADMO CC[C@H](C)n1c2ccc(NC(=O)[C@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)cc2nc1C(F)(F)F ZINC000849599097 1069255316 /nfs/dbraw/zinc/25/53/16/1069255316.db2.gz KQTDMVGOCBDXOG-JCGIZDLHSA-N 1 1 462.520 4.434 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849607632 1069266024 /nfs/dbraw/zinc/26/60/24/1069266024.db2.gz XJUVHCOGNDBRMX-VQTJNVASSA-N 1 1 454.962 4.108 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)[C@@H](c2cnn(C)c2)C1 ZINC000849612038 1069273491 /nfs/dbraw/zinc/27/34/91/1069273491.db2.gz FLVMSZSNPNCRMQ-NVXWUHKLSA-N 1 1 478.544 4.410 20 0 JIADMO CCc1cc(Br)cc2sc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)nc21 ZINC000849611963 1069273728 /nfs/dbraw/zinc/27/37/28/1069273728.db2.gz CTKAVQFJBVFKHX-HZPDHXFCSA-N 1 1 462.417 4.029 20 0 JIADMO C[NH+]1CCN(C(=O)C[C@@H]2CC3(CCN(C(=S)Nc4ccc(F)c(F)c4)CC3)c3ccccc32)CC1 ZINC001200689728 1069290930 /nfs/dbraw/zinc/29/09/30/1069290930.db2.gz MFCGSFJISNBFSA-LJQANCHMSA-N 1 1 498.643 4.347 20 0 JIADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cn1 ZINC001164643589 719235435 /nfs/dbraw/zinc/23/54/35/719235435.db2.gz ZKSWTFVBNIJRHM-VXKWHMMOSA-N 1 1 464.635 4.002 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)n1 ZINC001164649128 719294571 /nfs/dbraw/zinc/29/45/71/719294571.db2.gz GVZDMCPDOXPXCW-HFMPRLQTSA-N 1 1 481.666 4.498 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3C[C@H](c4nc(C)no4)O[C@H]3C2)n1 ZINC001164651945 719300380 /nfs/dbraw/zinc/30/03/80/719300380.db2.gz MTFDEUZFWXSKEM-KURKYZTESA-N 1 1 456.616 4.198 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)n1 ZINC001164656535 719325952 /nfs/dbraw/zinc/32/59/52/719325952.db2.gz XSGHEJVAUUYUPT-ROKPMTFOSA-N 1 1 485.698 4.050 20 0 JIADMO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)n2)CC1 ZINC001164666453 719444106 /nfs/dbraw/zinc/44/41/06/719444106.db2.gz CMAYNKQELQGTJI-OALUTQOASA-N 1 1 469.680 4.171 20 0 JIADMO CCOc1cc2ncnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2cc1OCC ZINC001164673874 719507851 /nfs/dbraw/zinc/50/78/51/719507851.db2.gz SSBRXOIJHRGGGF-UHFFFAOYSA-N 1 1 480.584 4.438 20 0 JIADMO CCOc1cc2ncnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2cc1OCC ZINC001164673874 719507866 /nfs/dbraw/zinc/50/78/66/719507866.db2.gz SSBRXOIJHRGGGF-UHFFFAOYSA-N 1 1 480.584 4.438 20 0 JIADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)CC2 ZINC001164690208 719746692 /nfs/dbraw/zinc/74/66/92/719746692.db2.gz VAFWMDNBYIIHOI-UHFFFAOYSA-N 1 1 466.935 4.267 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCc3ncnc(OC(C)C)c3CC2)n1 ZINC001164695966 719791917 /nfs/dbraw/zinc/79/19/17/719791917.db2.gz PZMNKYCJMAYPDX-UHFFFAOYSA-N 1 1 454.644 4.332 20 0 JIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc(-c4cnc(N5CCCCC5)nc4)n2)CC3)cs1 ZINC001164694510 719810717 /nfs/dbraw/zinc/81/07/17/719810717.db2.gz ZEWFQQGCVUGYPP-UHFFFAOYSA-N 1 1 490.681 4.324 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC3)CN(c3ccccc3)C(=O)CO4)c2c1C ZINC001164695890 719836529 /nfs/dbraw/zinc/83/65/29/719836529.db2.gz QFFPLUWLDWFHJL-UHFFFAOYSA-N 1 1 491.661 4.306 20 0 JIADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC001164696682 719847684 /nfs/dbraw/zinc/84/76/84/719847684.db2.gz AXQQTZUAICMIAE-FNZWTVRRSA-N 1 1 498.986 4.322 20 0 JIADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001164698395 719853308 /nfs/dbraw/zinc/85/33/08/719853308.db2.gz BXTRBGSQNXAIBT-FNZWTVRRSA-N 1 1 480.996 4.183 20 0 JIADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001164706673 719862450 /nfs/dbraw/zinc/86/24/50/719862450.db2.gz YHSNVCBYQOAQHC-XDHUDOTRSA-N 1 1 487.025 4.244 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164710362 720097177 /nfs/dbraw/zinc/09/71/77/720097177.db2.gz JGBPLFQYKYQYMR-INIZCTEOSA-N 1 1 472.367 4.231 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1ccc(Cl)nc1)CC2 ZINC001164716262 720108697 /nfs/dbraw/zinc/10/86/97/720108697.db2.gz JRKNEVSXPPFWBD-SFHVURJKSA-N 1 1 452.933 4.062 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001164815933 720110205 /nfs/dbraw/zinc/11/02/05/720110205.db2.gz XPWXRAQIQWGRCP-BTYIYWSLSA-N 1 1 454.924 4.152 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cc(OC)c(OC)cc31)CC2 ZINC001164714924 720110260 /nfs/dbraw/zinc/11/02/60/720110260.db2.gz FKPNISHQCZDCIL-LJQANCHMSA-N 1 1 498.027 4.203 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164718623 720110871 /nfs/dbraw/zinc/11/08/71/720110871.db2.gz TZBXETQHBLHDHV-OAQYLSRUSA-N 1 1 465.001 4.095 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164717411 720112842 /nfs/dbraw/zinc/11/28/42/720112842.db2.gz OPTIUCUXKRYMHK-KRWDZBQOSA-N 1 1 473.955 4.464 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CC2 ZINC001164715484 720123112 /nfs/dbraw/zinc/12/31/12/720123112.db2.gz GCDLFJPXPIUKFR-NRFANRHFSA-N 1 1 486.060 4.166 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)COc1cccc(Cl)n1)CC2 ZINC001164716969 720127173 /nfs/dbraw/zinc/12/71/73/720127173.db2.gz MNJUQIYQDMAYCH-LJQANCHMSA-N 1 1 466.960 4.105 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(Oc3cccc(OC)c3)n1)CC2 ZINC001164712567 720130417 /nfs/dbraw/zinc/13/04/17/720130417.db2.gz NNVLCIHFXRJCFU-JOCHJYFZSA-N 1 1 475.593 4.180 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)-c1ccccc1CC3)CC2 ZINC001164713028 720134365 /nfs/dbraw/zinc/13/43/65/720134365.db2.gz PBIPOUKMWHUUOM-XMMPIXPASA-N 1 1 455.606 4.145 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3nc(Cl)cnc3cc1F)CC2 ZINC001164714786 720147168 /nfs/dbraw/zinc/14/71/68/720147168.db2.gz ZASARNDCJRAXON-SFHVURJKSA-N 1 1 455.965 4.325 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3nc(C(C)C)no3)ccn1)CC2 ZINC001164710775 720150713 /nfs/dbraw/zinc/15/07/13/720150713.db2.gz CFOKQIOPFGEHHX-QFIPXVFZSA-N 1 1 462.598 4.158 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164819753 720168305 /nfs/dbraw/zinc/16/83/05/720168305.db2.gz YBFNEFLDAPBACR-AMGIVPHBSA-N 1 1 483.726 4.479 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)C2 ZINC001164816639 720189395 /nfs/dbraw/zinc/18/93/95/720189395.db2.gz LXLJXYVFESXHNS-YWEHKCAJSA-N 1 1 461.654 4.319 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)CCC2 ZINC001164814543 720238302 /nfs/dbraw/zinc/23/83/02/720238302.db2.gz XRBZKPRLPFMQNH-UHFFFAOYSA-N 1 1 488.970 4.149 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3cccc4ccccc43)nn1)CCC2 ZINC001164812927 720240824 /nfs/dbraw/zinc/24/08/24/720240824.db2.gz KKJOONLSDBMWGY-UHFFFAOYSA-N 1 1 454.578 4.104 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCc3c(ncn3C(C)C)[C@@H]2CNC(C)=O)n1 ZINC001164721849 720316090 /nfs/dbraw/zinc/31/60/90/720316090.db2.gz ICRVVAGUUROBOU-FQEVSTJZSA-N 1 1 483.686 4.167 20 0 JIADMO Cc1nc(CO[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164820393 720388669 /nfs/dbraw/zinc/38/86/69/720388669.db2.gz AOAPINLKRIEZRL-RGSZASNESA-N 1 1 476.646 4.358 20 0 JIADMO O=C(NCc1cccs1)c1cc(F)c(Cl)nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728322 720407308 /nfs/dbraw/zinc/40/73/08/720407308.db2.gz SYHYWXJMECPMPI-UXHICEINSA-N 1 1 471.989 4.114 20 0 JIADMO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)O2)n1 ZINC001164826803 720408876 /nfs/dbraw/zinc/40/88/76/720408876.db2.gz CUPUQNNBQJOEPR-QRVBRYPASA-N 1 1 480.638 4.356 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@H]3C2)nc1 ZINC001164839976 720502917 /nfs/dbraw/zinc/50/29/17/720502917.db2.gz UYVOBBLLLHZBTK-ZGFBMJKBSA-N 1 1 454.659 4.263 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833664 720513175 /nfs/dbraw/zinc/51/31/75/720513175.db2.gz DMAIRODKZPGGGR-ABSDTBQOSA-N 1 1 460.960 4.402 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)CC[C@@H]21 ZINC001164839061 720520493 /nfs/dbraw/zinc/52/04/93/720520493.db2.gz SJSHTLIYMKBOMH-MDKPJZGXSA-N 1 1 460.960 4.402 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834641 720524160 /nfs/dbraw/zinc/52/41/60/720524160.db2.gz GVTOZZIWEKMUHG-OTNCWRBYSA-N 1 1 492.071 4.220 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3ccn4Cc3ccc(F)cc3)CC[C@@H]21 ZINC001164835018 720555560 /nfs/dbraw/zinc/55/55/60/720555560.db2.gz GSGWPNUDICWYEK-VTZPFEBOSA-N 1 1 473.600 4.193 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc4ccccc4nc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833551 720566185 /nfs/dbraw/zinc/56/61/85/720566185.db2.gz AAIBZZJPGQZRDX-ABSDTBQOSA-N 1 1 460.960 4.402 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842804 720597834 /nfs/dbraw/zinc/59/78/34/720597834.db2.gz VOYDWPMXYMSIDG-SLFFLAALSA-N 1 1 487.986 4.311 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)CC[C@@H]21 ZINC001164842824 720600978 /nfs/dbraw/zinc/60/09/78/720600978.db2.gz VTJKQOHNANZQDB-HWBMXIPRSA-N 1 1 453.594 4.266 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cccc4c(Cl)ncnc43)CC[C@@H]21 ZINC001164835970 720614724 /nfs/dbraw/zinc/61/47/24/720614724.db2.gz DFEVXMPURRJJKI-ZWOKBUDYSA-N 1 1 460.960 4.402 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C(=O)OCc4ccccc4)cn3)CC[C@@H]21 ZINC001164836777 720617121 /nfs/dbraw/zinc/61/71/21/720617121.db2.gz GVQDVDRWGSAQDP-SDHOMARFSA-N 1 1 459.594 4.013 20 0 JIADMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164842848 720633378 /nfs/dbraw/zinc/63/33/78/720633378.db2.gz VWGHEDSXSHZVNR-PCCBWWKXSA-N 1 1 452.006 4.075 20 0 JIADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839630 720695981 /nfs/dbraw/zinc/69/59/81/720695981.db2.gz ATYRLJYDHMYFPB-KRWDZBQOSA-N 1 1 479.408 4.220 20 0 JIADMO CC1CCN(C(=O)c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc2)CC1 ZINC001164836470 720711393 /nfs/dbraw/zinc/71/13/93/720711393.db2.gz BCGGBWNQDDCISM-VWLOTQADSA-N 1 1 462.638 4.214 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)CC2 ZINC001164841780 720717273 /nfs/dbraw/zinc/71/72/73/720717273.db2.gz WXNXCWJNUFWBDR-LJQANCHMSA-N 1 1 499.040 4.099 20 0 JIADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC5(CCCC(=O)N5)CC4)c23)C1 ZINC001164836891 720733458 /nfs/dbraw/zinc/73/34/58/720733458.db2.gz HRCFIEYROFJAIC-SFHVURJKSA-N 1 1 467.683 4.441 20 0 JIADMO CC[C@@H]1N(c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)CCC[C@]12CCC(=O)N2 ZINC001164845080 720755545 /nfs/dbraw/zinc/75/55/45/720755545.db2.gz DHSHRRYZCLADIN-FNZWTVRRSA-N 1 1 467.683 4.440 20 0 JIADMO c1csc(-c2nc3sc4c(c3c(N3CC[N@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C3)n2)CCC4)c1 ZINC001164738273 720765681 /nfs/dbraw/zinc/76/56/81/720765681.db2.gz FIFWHKANGNRCFG-HZPDHXFCSA-N 1 1 476.631 4.040 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CC[C@@H]5O[C@@H](COCc6ccccn6)CC[C@H]54)ccc3C2)cc1 ZINC001164849428 720772699 /nfs/dbraw/zinc/77/26/99/720772699.db2.gz SHWLQJPUIZNKSU-KZQOYIJHSA-N 1 1 470.617 4.378 20 0 JIADMO c1ccc(Oc2ccc(-c3ccc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164744245 720794051 /nfs/dbraw/zinc/79/40/51/720794051.db2.gz IFNUWPYYUZCMPH-ZJSXRUAMSA-N 1 1 466.545 4.068 20 0 JIADMO c1csc(-c2csc3ncnc(N4CC[C@@H]5[C@H](C[C@@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)c23)c1 ZINC001164746786 720819899 /nfs/dbraw/zinc/81/98/99/720819899.db2.gz ZDCOMNZRRWJMND-WSTZPKSXSA-N 1 1 477.663 4.391 20 0 JIADMO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746171 720824673 /nfs/dbraw/zinc/82/46/73/720824673.db2.gz YCLLKGZFGMXCHL-KAGYGMCKSA-N 1 1 472.971 4.404 20 0 JIADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744997 720826130 /nfs/dbraw/zinc/82/61/30/720826130.db2.gz VUDNIXYFEKQEQS-UODIDJSMSA-N 1 1 492.631 4.177 20 0 JIADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746600 720836610 /nfs/dbraw/zinc/83/66/10/720836610.db2.gz PCTXQJILHJLBKM-PWRODBHTSA-N 1 1 499.997 4.313 20 0 JIADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746601 720836808 /nfs/dbraw/zinc/83/68/08/720836808.db2.gz PCTXQJILHJLBKM-QHAWAJNXSA-N 1 1 499.997 4.313 20 0 JIADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164751088 720846194 /nfs/dbraw/zinc/84/61/94/720846194.db2.gz YLOCVGBLMAEBFX-MISYRCLQSA-N 1 1 483.979 4.032 20 0 JIADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164751091 720846234 /nfs/dbraw/zinc/84/62/34/720846234.db2.gz YLOCVGBLMAEBFX-YZGWKJHDSA-N 1 1 483.979 4.032 20 0 JIADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164748021 720847245 /nfs/dbraw/zinc/84/72/45/720847245.db2.gz SHMJLKAFHIBDQI-JIMJEQGWSA-N 1 1 496.663 4.067 20 0 JIADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739510 720850036 /nfs/dbraw/zinc/85/00/36/720850036.db2.gz ATZGSPJJWFZNTR-BHDDXSALSA-N 1 1 464.017 4.076 20 0 JIADMO c1ncn(C[C@H]2C[C@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748754 720857536 /nfs/dbraw/zinc/85/75/36/720857536.db2.gz LXQXWLBVIGFYLC-VYKTZEHYSA-N 1 1 495.631 4.180 20 0 JIADMO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746816 720861993 /nfs/dbraw/zinc/86/19/93/720861993.db2.gz GPSCXHPMSMXWNG-BBTUJRGHSA-N 1 1 470.980 4.007 20 0 JIADMO FC(F)(c1cccc(Cl)n1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755772 720870457 /nfs/dbraw/zinc/87/04/57/720870457.db2.gz YXHYLCFHQNUGED-NFBKMPQASA-N 1 1 462.972 4.430 20 0 JIADMO Cc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754437 720872071 /nfs/dbraw/zinc/87/20/71/720872071.db2.gz RUBYRYIOPRAURZ-OFNKIYASSA-N 1 1 477.987 4.133 20 0 JIADMO FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752376 720874023 /nfs/dbraw/zinc/87/40/23/720874023.db2.gz MSIULSNFHFYHDO-AVRDEDQJSA-N 1 1 498.405 4.478 20 0 JIADMO c1ccc(COc2cncc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164751551 720878420 /nfs/dbraw/zinc/87/84/20/720878420.db2.gz KYUMZDOHYZDALA-LITSAYRRSA-N 1 1 485.632 4.206 20 0 JIADMO Clc1ncnc2scc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164756258 720883977 /nfs/dbraw/zinc/88/39/77/720883977.db2.gz OWSPGIDQTJRWEC-YADARESESA-N 1 1 470.042 4.495 20 0 JIADMO Clc1nc2ccccc2nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754460 720884238 /nfs/dbraw/zinc/88/42/38/720884238.db2.gz IZUJCAJDSQQTBL-HFZDXXHNSA-N 1 1 464.013 4.433 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(Oc5ccccc5)cc4)nn3)CC[C@@H]2C1 ZINC001164856521 720884844 /nfs/dbraw/zinc/88/48/44/720884844.db2.gz IFMCMDPHZNSRAL-GJZUVCINSA-N 1 1 460.578 4.109 20 0 JIADMO CCOC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164756535 720888066 /nfs/dbraw/zinc/88/80/66/720888066.db2.gz QDHWRSWEWIOIIM-AJTFRIOCSA-N 1 1 499.055 4.370 20 0 JIADMO COc1ccc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)n1 ZINC001164754514 720888134 /nfs/dbraw/zinc/88/81/34/720888134.db2.gz JCRODQWUKPBBAR-HYBUGGRVSA-N 1 1 492.998 4.439 20 0 JIADMO CC(C)(C)OC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164757882 720889022 /nfs/dbraw/zinc/88/90/22/720889022.db2.gz WAOISSOUYGBXHM-YWEHKCAJSA-N 1 1 478.637 4.187 20 0 JIADMO COc1cc2c(cc1Cl)ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756274 720891065 /nfs/dbraw/zinc/89/10/65/720891065.db2.gz OZWJJKOXNQDKSM-ZBLYBZFDSA-N 1 1 494.039 4.442 20 0 JIADMO CCc1c(Cl)nnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1CC ZINC001164751711 720891155 /nfs/dbraw/zinc/89/11/55/720891155.db2.gz DCSSHJYHQCBLNT-HFZDXXHNSA-N 1 1 470.061 4.405 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)CC[C@@H]2C1 ZINC001164859452 720892215 /nfs/dbraw/zinc/89/22/15/720892215.db2.gz RKHLIEFBXWTSOT-CRAIPNDOSA-N 1 1 457.974 4.182 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C)c4)c3)CC[C@H]2C1 ZINC001164860206 720892333 /nfs/dbraw/zinc/89/23/33/720892333.db2.gz UGNNCTGYXFIUOH-SIKLNZKXSA-N 1 1 465.972 4.429 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)CC[C@H]2C1 ZINC001164859453 720892512 /nfs/dbraw/zinc/89/25/12/720892512.db2.gz RKHLIEFBXWTSOT-MAUKXSAKSA-N 1 1 457.974 4.182 20 0 JIADMO COc1cccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164750967 720893801 /nfs/dbraw/zinc/89/38/01/720893801.db2.gz CITOTXZXTSATBB-KDYSTLNUSA-N 1 1 494.039 4.442 20 0 JIADMO COc1ccc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1Cl ZINC001164758156 720894653 /nfs/dbraw/zinc/89/46/53/720894653.db2.gz XFOJOJHSTTUIFQ-HYBUGGRVSA-N 1 1 492.998 4.439 20 0 JIADMO COc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc(C)c2c1 ZINC001164756563 720895254 /nfs/dbraw/zinc/89/52/54/720895254.db2.gz QILGXOAMKOHXQN-FIPFOOKPSA-N 1 1 473.621 4.097 20 0 JIADMO Clc1cc2cc[nH]c2nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758210 720896078 /nfs/dbraw/zinc/89/60/78/720896078.db2.gz XTBDJBQYJAFLNV-SQJMNOBHSA-N 1 1 452.002 4.318 20 0 JIADMO Clc1ccnc2cnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc12 ZINC001164757146 720896347 /nfs/dbraw/zinc/89/63/47/720896347.db2.gz SYEOYPOXNUPLNF-RLWLMLJZSA-N 1 1 464.013 4.433 20 0 JIADMO CC(C)COc1cccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164756277 720901727 /nfs/dbraw/zinc/90/17/27/720901727.db2.gz PAFRFGRPMYOBPI-SHQCIBLASA-N 1 1 450.627 4.267 20 0 JIADMO COc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164750719 720910388 /nfs/dbraw/zinc/91/03/88/720910388.db2.gz KDOFMIAVNIHLCX-SVEHJYQDSA-N 1 1 485.632 4.302 20 0 JIADMO COc1cccc2c1ccnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749067 720918891 /nfs/dbraw/zinc/91/88/91/720918891.db2.gz HOXUTSICRPBQPC-QDPGVEIFSA-N 1 1 458.606 4.394 20 0 JIADMO COc1cccc2c1ccnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749062 720919411 /nfs/dbraw/zinc/91/94/11/720919411.db2.gz HOXUTSICRPBQPC-LXFBAYGMSA-N 1 1 458.606 4.394 20 0 JIADMO Fc1cccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)c1 ZINC001164750518 720920198 /nfs/dbraw/zinc/92/01/98/720920198.db2.gz JTGZRJKRFKJNOK-CUBQBAPOSA-N 1 1 473.596 4.433 20 0 JIADMO Cc1nc(C)c(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)s1 ZINC001164750088 720926920 /nfs/dbraw/zinc/92/69/20/720926920.db2.gz JAZGFTHSABRVEM-YIXXDRMTSA-N 1 1 490.677 4.367 20 0 JIADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(-c4nc(C5CC5)no4)ccn2)C3)c1 ZINC001164754283 720928458 /nfs/dbraw/zinc/92/84/58/720928458.db2.gz VWGKLOXLNBCXAF-UFHPHHKVSA-N 1 1 486.620 4.159 20 0 JIADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(COC4CCC4)cn2)C3)c1 ZINC001164752145 720928784 /nfs/dbraw/zinc/92/87/84/720928784.db2.gz NHEUPNGHRKMJEV-LEAFIULHSA-N 1 1 462.638 4.301 20 0 JIADMO Fc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1-c1ccsc1 ZINC001164754694 720934536 /nfs/dbraw/zinc/93/45/36/720934536.db2.gz XLSWNUHPSVTLCQ-BKMJKUGQSA-N 1 1 479.625 4.494 20 0 JIADMO CCc1nc(Cl)nc(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164746485 720935138 /nfs/dbraw/zinc/93/51/38/720935138.db2.gz AYQPWWIOJCEZNO-CYFREDJKSA-N 1 1 476.452 4.496 20 0 JIADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164868928 721067648 /nfs/dbraw/zinc/06/76/48/721067648.db2.gz RGOZJAUNARFNJE-ISKFKSNPSA-N 1 1 485.563 4.319 20 0 JIADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865993 721112739 /nfs/dbraw/zinc/11/27/39/721112739.db2.gz QVWBFXVRFAYDDE-SJORKVTESA-N 1 1 459.377 4.425 20 0 JIADMO Fc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c23)cc1 ZINC001164871510 721137691 /nfs/dbraw/zinc/13/76/91/721137691.db2.gz FEVBWQIWZYHOGJ-NHCUHLMSSA-N 1 1 461.566 4.372 20 0 JIADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164878918 721164197 /nfs/dbraw/zinc/16/41/97/721164197.db2.gz QUMZKRQGZHYUGH-YADHBBJMSA-N 1 1 487.629 4.379 20 0 JIADMO COc1cccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164869708 721165790 /nfs/dbraw/zinc/16/57/90/721165790.db2.gz AAROMDSFSZRTGP-VWNXMTODSA-N 1 1 467.573 4.180 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C[C@H]3C2)cn1 ZINC001164761242 721189171 /nfs/dbraw/zinc/18/91/71/721189171.db2.gz AINKDCSJJFEGPN-QWHCGFSZSA-N 1 1 450.748 4.279 20 0 JIADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)nn1 ZINC001164868488 721193216 /nfs/dbraw/zinc/19/32/16/721193216.db2.gz NCGODPSSRPNVBH-QZTJIDSGSA-N 1 1 489.929 4.356 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccc(Cl)s5)nc5c4CCC5)C[C@@H]3C2)cn1 ZINC001164770186 721224897 /nfs/dbraw/zinc/22/48/97/721224897.db2.gz OBQBUHLMXAQYBW-IRXDYDNUSA-N 1 1 455.031 4.039 20 0 JIADMO CCN1C(C)=N[C@@]2(CC[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@@H]32)C1=O ZINC001164873100 721232355 /nfs/dbraw/zinc/23/23/55/721232355.db2.gz PNMGCJVIQUSNGT-GGZJYHEGSA-N 1 1 492.693 4.031 20 0 JIADMO COc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(Cl)nn1 ZINC001164764874 721247042 /nfs/dbraw/zinc/24/70/42/721247042.db2.gz QIBMNSQARLCIGS-MSOLQXFVSA-N 1 1 488.970 4.042 20 0 JIADMO COc1ccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164760205 721247584 /nfs/dbraw/zinc/24/75/84/721247584.db2.gz DCVOQCPEJSVQAE-RBUKOAKNSA-N 1 1 488.970 4.042 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@@H]5C[C@@H](COc6ccccn6)C[C@H]54)ccc3C2)cc1 ZINC001164881025 721311976 /nfs/dbraw/zinc/31/19/76/721311976.db2.gz UCDJXNZOAKNYBN-HDYLNDSGSA-N 1 1 456.590 4.098 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(F)c3)C2)C1 ZINC001164778641 721348255 /nfs/dbraw/zinc/34/82/55/721348255.db2.gz NMRLGQLVGFXEIQ-FQEVSTJZSA-N 1 1 458.912 4.143 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(F)c3)C2)C1 ZINC001164778641 721348261 /nfs/dbraw/zinc/34/82/61/721348261.db2.gz NMRLGQLVGFXEIQ-FQEVSTJZSA-N 1 1 458.912 4.143 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C2)C1 ZINC001164780099 721356270 /nfs/dbraw/zinc/35/62/70/721356270.db2.gz DGOGWRKEJRQKJC-VWLOTQADSA-N 1 1 491.032 4.414 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C2)C1 ZINC001164780099 721356276 /nfs/dbraw/zinc/35/62/76/721356276.db2.gz DGOGWRKEJRQKJC-VWLOTQADSA-N 1 1 491.032 4.414 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)C2)C1 ZINC001164784929 721363474 /nfs/dbraw/zinc/36/34/74/721363474.db2.gz ROQRPJBVVOEKOX-GDLZYMKVSA-N 1 1 499.615 4.449 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3ccn4C(C)C)C2)C1 ZINC001164785152 721363952 /nfs/dbraw/zinc/36/39/52/721363952.db2.gz SCZJDEBIAKWBIX-DEOSSOPVSA-N 1 1 473.021 4.389 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccn4)nc4sccc43)C2)C1 ZINC001164786053 721372332 /nfs/dbraw/zinc/37/23/32/721372332.db2.gz VEZJPOCBNBGCEX-AREMUKBSSA-N 1 1 490.633 4.477 20 0 JIADMO COc1ccc(Oc2cc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nc(C)n2)cc1 ZINC001164781675 721373428 /nfs/dbraw/zinc/37/34/28/721373428.db2.gz KSSZYQBUROTAKM-MHZLTWQESA-N 1 1 493.608 4.310 20 0 JIADMO COc1ccc(Oc2cc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nc(C)n2)cc1 ZINC001164781675 721373433 /nfs/dbraw/zinc/37/34/33/721373433.db2.gz KSSZYQBUROTAKM-MHZLTWQESA-N 1 1 493.608 4.310 20 0 JIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@]3(CCC[C@@H]3COCc3ccncc3)C2)n1 ZINC001164779648 721384808 /nfs/dbraw/zinc/38/48/08/721384808.db2.gz BWDSTWSUMOZOQF-RCZVLFRGSA-N 1 1 457.018 4.318 20 0 JIADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164782827 721397751 /nfs/dbraw/zinc/39/77/51/721397751.db2.gz FVZAWQMVAYKEDK-WOJBJXKFSA-N 1 1 473.602 4.242 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C3)O2)CC1 ZINC001164889436 721404928 /nfs/dbraw/zinc/40/49/28/721404928.db2.gz QNIDVQILSHVVLL-NFBKMPQASA-N 1 1 464.988 4.199 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc5ccccc5nc4Cl)C3)O2)CC1 ZINC001164887670 721423312 /nfs/dbraw/zinc/42/33/12/721423312.db2.gz LZPJIUGSNVSALN-AUSIDOKSSA-N 1 1 464.988 4.199 20 0 JIADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164899959 721435144 /nfs/dbraw/zinc/43/51/44/721435144.db2.gz ZPHPHCVNGMDOCB-UQBPGWFLSA-N 1 1 483.707 4.494 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(-c5cccs5)nnc4Cl)C3)O2)CC1 ZINC001164895763 721436332 /nfs/dbraw/zinc/43/63/32/721436332.db2.gz PGUWSDHUKSXSKX-VGSWGCGISA-N 1 1 498.043 4.169 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(-c5cccs5)nnc4Cl)C3)O2)CC1 ZINC001164895761 721436566 /nfs/dbraw/zinc/43/65/66/721436566.db2.gz PGUWSDHUKSXSKX-JTSKRJEESA-N 1 1 498.043 4.169 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(-c5ccc(Cl)nn5)cc4)C3)O2)CC1 ZINC001164890295 721437173 /nfs/dbraw/zinc/43/71/73/721437173.db2.gz DEMWRUYNMMEOIU-ZJSXRUAMSA-N 1 1 492.014 4.107 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(-c3ccc(F)cc3)n1)CC2 ZINC001164785495 721458819 /nfs/dbraw/zinc/45/88/19/721458819.db2.gz LPHPRHUBYYRNRI-HSZRJFAPSA-N 1 1 454.590 4.017 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(Oc3cccc(F)c3)n1)CC2 ZINC001164784791 721463375 /nfs/dbraw/zinc/46/33/75/721463375.db2.gz KFSUAIYOKICLAV-QFIPXVFZSA-N 1 1 470.589 4.142 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@@H](CCN4C(=O)C(C)C)C3)c2c1C ZINC001164889744 721465309 /nfs/dbraw/zinc/46/53/09/721465309.db2.gz ILZFKBLCNPZPDN-PMACEKPBSA-N 1 1 455.672 4.377 20 0 JIADMO CC(C)C(=O)N1CC[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]21 ZINC001164895013 721465367 /nfs/dbraw/zinc/46/53/67/721465367.db2.gz YVSCSAOKJLKEDB-ICSRJNTNSA-N 1 1 467.683 4.249 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc3sc4c(c31)CCC4)CC2 ZINC001164790126 721466981 /nfs/dbraw/zinc/46/69/81/721466981.db2.gz REPKNLAGEKBJCM-FQEVSTJZSA-N 1 1 470.683 4.222 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccnc1Oc1ccccc1)CC2 ZINC001164788763 721469794 /nfs/dbraw/zinc/46/97/94/721469794.db2.gz JWIZEABRTWIHGY-JOCHJYFZSA-N 1 1 452.599 4.003 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(-c3ccccn3)nc3sccc31)CC2 ZINC001164788754 721470930 /nfs/dbraw/zinc/47/09/30/721470930.db2.gz JOONNGHWJBJDSU-OAQYLSRUSA-N 1 1 493.677 4.487 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc3cc(OC)c(F)cc31)CC2 ZINC001164786260 721471304 /nfs/dbraw/zinc/47/13/04/721471304.db2.gz ABPDLPOISCUOQK-OAQYLSRUSA-N 1 1 457.590 4.116 20 0 JIADMO CCOC[C@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)Cc2cnn(C)c21 ZINC001164793281 721477742 /nfs/dbraw/zinc/47/77/42/721477742.db2.gz UCRNONJONONNHN-GOSISDBHSA-N 1 1 466.655 4.040 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3Cc4nccn4C[C@@H](Cn4cccn4)C3)c2c1C ZINC001164899014 721487118 /nfs/dbraw/zinc/48/71/18/721487118.db2.gz XTSAJRJTBVMRJX-HXUWFJFHSA-N 1 1 476.654 4.024 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)N3c3nccs3)C2)nc1 ZINC001164902388 721495437 /nfs/dbraw/zinc/49/54/37/721495437.db2.gz YRGIETPUMWLGEP-MOUTVQLLSA-N 1 1 492.697 4.241 20 0 JIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4nc5ccsc5c(Cl)n4)CC[N@H+]3C2)c1 ZINC001164900689 721521380 /nfs/dbraw/zinc/52/13/80/721521380.db2.gz TXKYCZCUTOTJNT-DZGCQCFKSA-N 1 1 454.905 4.371 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)ncnc3c2)[C@H]2CCCO[C@@H]12 ZINC001164803720 721536482 /nfs/dbraw/zinc/53/64/82/721536482.db2.gz IWXFSEQVPAVQRK-PWRODBHTSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)ncnc3c2)[C@H]2CCCO[C@@H]12 ZINC001164803720 721536487 /nfs/dbraw/zinc/53/64/87/721536487.db2.gz IWXFSEQVPAVQRK-PWRODBHTSA-N 1 1 459.928 4.091 20 0 JIADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)CC[N@H+]3C2)c1 ZINC001164905429 721554828 /nfs/dbraw/zinc/55/48/28/721554828.db2.gz HLGOKLXLHRQNIC-RDJZCZTQSA-N 1 1 464.875 4.416 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3cnc(Cl)nc3c2)[C@H]2CCCO[C@H]12 ZINC001164798653 721563435 /nfs/dbraw/zinc/56/34/35/721563435.db2.gz BVVHPUZYGLRLOK-HBMCJLEFSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3cnc(Cl)nc3c2)[C@H]2CCCO[C@H]12 ZINC001164798653 721563440 /nfs/dbraw/zinc/56/34/40/721563440.db2.gz BVVHPUZYGLRLOK-HBMCJLEFSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164809639 721578673 /nfs/dbraw/zinc/57/86/73/721578673.db2.gz UHKCXLUATPNPPS-JBRSBNLGSA-N 1 1 477.996 4.251 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164809639 721578677 /nfs/dbraw/zinc/57/86/77/721578677.db2.gz UHKCXLUATPNPPS-JBRSBNLGSA-N 1 1 477.996 4.251 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CN(Cc4cccc(OC)c4)S(=O)(=O)[C@@H]3CC2)nc1 ZINC001164808838 721592913 /nfs/dbraw/zinc/59/29/13/721592913.db2.gz QVIUNCFPUBWLOW-LGPLSSKUSA-N 1 1 498.693 4.068 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3CN(Cc4cccc(OC)c4)S(=O)(=O)[C@H]3CC2)nc1 ZINC001164808836 721592967 /nfs/dbraw/zinc/59/29/67/721592967.db2.gz QVIUNCFPUBWLOW-DMDYGQEQSA-N 1 1 498.693 4.068 20 0 JIADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907453 721698918 /nfs/dbraw/zinc/69/89/18/721698918.db2.gz SZPFOACGCTVSOS-FQEVSTJZSA-N 1 1 486.897 4.199 20 0 JIADMO CCOC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1C ZINC001164907282 721703051 /nfs/dbraw/zinc/70/30/51/721703051.db2.gz QKNHFAPGDOCYRG-JOCHJYFZSA-N 1 1 464.944 4.353 20 0 JIADMO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908294 721709133 /nfs/dbraw/zinc/70/91/33/721709133.db2.gz WXJBZWWLTLIELG-HSZRJFAPSA-N 1 1 477.987 4.396 20 0 JIADMO FC1(F)CCN(c2nc(Cl)ccc2CN2CCCC2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907638 721709759 /nfs/dbraw/zinc/70/97/59/721709759.db2.gz SFBHYJQOFREGHE-QHCPKHFHSA-N 1 1 461.988 4.464 20 0 JIADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164904328 721710165 /nfs/dbraw/zinc/71/01/65/721710165.db2.gz BPMHRPGMLFKMNT-HSZRJFAPSA-N 1 1 477.987 4.350 20 0 JIADMO COC(=O)c1cc2ccccc2nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906181 721714077 /nfs/dbraw/zinc/71/40/77/721714077.db2.gz KQBZKYIOZQAKRZ-DEOSSOPVSA-N 1 1 452.505 4.154 20 0 JIADMO COC(=O)c1ccc2cc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ncc2c1 ZINC001164904896 721721798 /nfs/dbraw/zinc/72/17/98/721721798.db2.gz FIEHXHMSMSXGBL-XMMPIXPASA-N 1 1 452.505 4.154 20 0 JIADMO CC(C)c1noc(-c2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2)n1 ZINC001164913972 721729995 /nfs/dbraw/zinc/72/99/95/721729995.db2.gz ZVLHFENTBMRMMJ-HSZRJFAPSA-N 1 1 454.525 4.388 20 0 JIADMO FC1(F)CCN(c2nc(-c3ccncc3)nc3c2CCC3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913132 721731341 /nfs/dbraw/zinc/73/13/41/721731341.db2.gz UDTZOONPINGDCU-VWLOTQADSA-N 1 1 462.548 4.160 20 0 JIADMO Cc1cc(OCc2ccccc2)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164910548 721733304 /nfs/dbraw/zinc/73/33/04/721733304.db2.gz FWSDHYBONBWRBH-RUZDIDTESA-N 1 1 465.548 4.497 20 0 JIADMO C[N@@H+](Cc1ccc(N2C[C@@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)nc1)C1CC1 ZINC001164912115 721742396 /nfs/dbraw/zinc/74/23/96/721742396.db2.gz LUDRHGTTWNFEFE-LBNVMWSVSA-N 1 1 453.590 4.098 20 0 JIADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164911562 721756127 /nfs/dbraw/zinc/75/61/27/721756127.db2.gz WPWSOZCGJUNAFW-UHFFFAOYSA-N 1 1 476.364 4.143 20 0 JIADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164911562 721756130 /nfs/dbraw/zinc/75/61/30/721756130.db2.gz WPWSOZCGJUNAFW-UHFFFAOYSA-N 1 1 476.364 4.143 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)C2 ZINC001164909473 721763102 /nfs/dbraw/zinc/76/31/02/721763102.db2.gz ARNCFZFXJIBQKM-UHFFFAOYSA-N 1 1 495.996 4.022 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)C2 ZINC001164909473 721763107 /nfs/dbraw/zinc/76/31/07/721763107.db2.gz ARNCFZFXJIBQKM-UHFFFAOYSA-N 1 1 495.996 4.022 20 0 JIADMO CCOC(=O)c1sc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1C ZINC001165027730 721799801 /nfs/dbraw/zinc/79/98/01/721799801.db2.gz XONWILIWWYTTMY-SXLOBPIMSA-N 1 1 465.623 4.308 20 0 JIADMO 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450.631 4.073 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@H]3C2)n1 ZINC001164929932 721897071 /nfs/dbraw/zinc/89/70/71/721897071.db2.gz ARKKSKJCKQBABS-HMXCVIKNSA-N 1 1 485.698 4.050 20 0 JIADMO COC(=O)c1ccc2nc(Cl)c(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)nc2c1 ZINC001164938194 721922256 /nfs/dbraw/zinc/92/22/56/721922256.db2.gz JEAWPVNIUBZHAD-UHFFFAOYSA-N 1 1 480.996 4.250 20 0 JIADMO COc1cccc2nc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c21 ZINC001164939883 721927336 /nfs/dbraw/zinc/92/73/36/721927336.db2.gz OSNFUBMLVQBFDC-UHFFFAOYSA-N 1 1 452.986 4.472 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4c5c(nnc4Cl)CCC5)CC3)C2)cc1 ZINC001164940016 721931293 /nfs/dbraw/zinc/93/12/93/721931293.db2.gz PQJMSAVJLWOALD-UHFFFAOYSA-N 1 1 462.972 4.343 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC3)C2)cc1 ZINC001164940748 721931484 /nfs/dbraw/zinc/93/14/84/721931484.db2.gz ZYPZISXQOUYBKW-UHFFFAOYSA-N 1 1 472.589 4.095 20 0 JIADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)CC2 ZINC001164948416 721978225 /nfs/dbraw/zinc/97/82/25/721978225.db2.gz YYTJMCQQHFBLAX-UHFFFAOYSA-N 1 1 481.575 4.407 20 0 JIADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)CC2 ZINC001164948416 721978227 /nfs/dbraw/zinc/97/82/27/721978227.db2.gz YYTJMCQQHFBLAX-UHFFFAOYSA-N 1 1 481.575 4.407 20 0 JIADMO Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2ncnc4c2CC[N@H+](Cc2ccccc2)C4)C3)n1 ZINC001164959750 722026677 /nfs/dbraw/zinc/02/66/77/722026677.db2.gz IIESELOQKRFRDD-MFMCTBQISA-N 1 1 499.659 4.331 20 0 JIADMO Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2ncnc4c2CC[N@@H+](Cc2ccccc2)C4)C3)n1 ZINC001164959750 722026680 /nfs/dbraw/zinc/02/66/80/722026680.db2.gz IIESELOQKRFRDD-MFMCTBQISA-N 1 1 499.659 4.331 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@H]4[C@H]3CC[C@@H]4Oc3ncccc3F)c2c1C ZINC001164956423 722029435 /nfs/dbraw/zinc/02/94/35/722029435.db2.gz GLHRXRFRXIZDND-DXIQSLLYSA-N 1 1 483.613 4.253 20 0 JIADMO 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Cc1nc2sc3c(c2c(N2CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C2)n1)CCCCC3 ZINC001164982181 722142506 /nfs/dbraw/zinc/14/25/06/722142506.db2.gz RHGYWQRESKCATA-RBBKRZOGSA-N 1 1 463.651 4.391 20 0 JIADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982580 722143849 /nfs/dbraw/zinc/14/38/49/722143849.db2.gz RQWOZFUQLNAKHP-REWPJTCUSA-N 1 1 485.966 4.464 20 0 JIADMO Clc1ccc(-c2nc3c(c(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)n2)CCC3)s1 ZINC001164982057 722149398 /nfs/dbraw/zinc/14/93/98/722149398.db2.gz QVGWBIXKWMLMSX-RXVVDRJESA-N 1 1 482.053 4.470 20 0 JIADMO c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164972707 722153909 /nfs/dbraw/zinc/15/39/09/722153909.db2.gz JCJAIBCWEBXJQJ-CUBQBAPOSA-N 1 1 481.600 4.331 20 0 JIADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCC[C@]4(C[C@H](OCC5CCCC5)CO4)C3)C2)cc1 ZINC001164977576 722164622 /nfs/dbraw/zinc/16/46/22/722164622.db2.gz GANXDCMOFRBAAX-CUBQBAPOSA-N 1 1 462.638 4.370 20 0 JIADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCC[C@]4(C[C@H](OCC5CCCC5)CO4)C3)C2)cc1 ZINC001164977576 722164623 /nfs/dbraw/zinc/16/46/23/722164623.db2.gz GANXDCMOFRBAAX-CUBQBAPOSA-N 1 1 462.638 4.370 20 0 JIADMO Cc1nc(CN2CCO[C@H]3CCN(c4[nH+]cnc5c4ccn5Cc4cccc(F)c4)CC[C@@H]32)cs1 ZINC001164988024 722183086 /nfs/dbraw/zinc/18/30/86/722183086.db2.gz JEIQNBCMULPANP-ZEQRLZLVSA-N 1 1 492.624 4.253 20 0 JIADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994558 722192207 /nfs/dbraw/zinc/19/22/07/722192207.db2.gz NXQNRSYOXBFFGX-NRFANRHFSA-N 1 1 468.907 4.236 20 0 JIADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994558 722192209 /nfs/dbraw/zinc/19/22/09/722192209.db2.gz NXQNRSYOXBFFGX-NRFANRHFSA-N 1 1 468.907 4.236 20 0 JIADMO COC(=O)c1cc(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cnc1Cl ZINC001164993877 722197143 /nfs/dbraw/zinc/19/71/43/722197143.db2.gz IGRBVAQCIFOPQV-OAQYLSRUSA-N 1 1 453.892 4.451 20 0 JIADMO COC(=O)c1cc(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cnc1Cl ZINC001164993877 722197144 /nfs/dbraw/zinc/19/71/44/722197144.db2.gz IGRBVAQCIFOPQV-OAQYLSRUSA-N 1 1 453.892 4.451 20 0 JIADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164993712 722200440 /nfs/dbraw/zinc/20/04/40/722200440.db2.gz ACBCPKPZEQDJIO-DEOSSOPVSA-N 1 1 454.933 4.454 20 0 JIADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(-c4ccccc4)nc4ccc(Cl)cc42)CC3)CC1 ZINC001164996337 722234884 /nfs/dbraw/zinc/23/48/84/722234884.db2.gz CCNFQOMKYMDLDG-UHFFFAOYSA-N 1 1 486.023 4.097 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC[C@@](C)(OC)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001300646802 1069321704 /nfs/dbraw/zinc/32/17/04/1069321704.db2.gz KVGWJIOMOVSIBJ-KDYSTLNUSA-N 1 1 485.673 4.382 20 0 JIADMO Cc1ccccc1CN(C)c1nnc(Cc2ccccn2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492593089 1069326163 /nfs/dbraw/zinc/32/61/63/1069326163.db2.gz BFPZPWGBNXXKRL-SZPZYZBQSA-N 1 1 462.642 4.097 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001300652042 1069338480 /nfs/dbraw/zinc/33/84/80/1069338480.db2.gz JRUJVRJAERAHGT-WOJBJXKFSA-N 1 1 459.610 4.315 20 0 JIADMO COc1cccc(CCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1OC ZINC001354605546 1069387243 /nfs/dbraw/zinc/38/72/43/1069387243.db2.gz IGNUNGWKEXBQGG-VAVYLYDRSA-N 1 1 458.602 4.452 20 0 JIADMO COc1ccc(C[C@H](C)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1OC ZINC001354616516 1069406201 /nfs/dbraw/zinc/40/62/01/1069406201.db2.gz XLAHFYLQFCZGNV-VLCRHTCISA-N 1 1 465.619 4.123 20 0 JIADMO C/C(=C\c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359349100 1069425020 /nfs/dbraw/zinc/42/50/20/1069425020.db2.gz QQMDBDAHVYRBAV-TVNSMHFRSA-N 1 1 450.631 4.033 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001359351563 1069433922 /nfs/dbraw/zinc/43/39/22/1069433922.db2.gz QIXGIEQMJJGJJI-NRFANRHFSA-N 1 1 480.701 4.422 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCCCCC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001300677915 1069434125 /nfs/dbraw/zinc/43/41/25/1069434125.db2.gz WXKIMOYETVDWKG-OAQYLSRUSA-N 1 1 473.687 4.460 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359354194 1069438327 /nfs/dbraw/zinc/43/83/27/1069438327.db2.gz CNDPLWZCUYIFMI-QHCPKHFHSA-N 1 1 496.700 4.186 20 0 JIADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3Cl)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359357336 1069447139 /nfs/dbraw/zinc/44/71/39/1069447139.db2.gz DEGABGRZPNWIKY-FPOVZHCZSA-N 1 1 473.065 4.168 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC[C@H](C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001300680582 1069444602 /nfs/dbraw/zinc/44/46/02/1069444602.db2.gz XFNJEULKHZFWNT-LEWJYISDSA-N 1 1 473.687 4.316 20 0 JIADMO CC(=O)N1CCC(Cn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001359365872 1069462337 /nfs/dbraw/zinc/46/23/37/1069462337.db2.gz NXHGJGXXGNJYFC-GJZUVCINSA-N 1 1 480.701 4.224 20 0 JIADMO 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CS[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001316377698 1066143096 /nfs/dbraw/zinc/14/30/96/1066143096.db2.gz PVKHXANBSIKTSE-INIZCTEOSA-N 1 1 481.508 4.252 20 0 JIADMO CS[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001316377766 1066143265 /nfs/dbraw/zinc/14/32/65/1066143265.db2.gz HJCALVKMEKOHKR-DLBZAZTESA-N 1 1 450.052 4.040 20 0 JIADMO CS[C@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001316378035 1066144121 /nfs/dbraw/zinc/14/41/21/1066144121.db2.gz INSVJWLRTCWBPT-IIAWOOMASA-N 1 1 468.440 4.271 20 0 JIADMO CS[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C(C)(C)C ZINC001316393174 1066168507 /nfs/dbraw/zinc/16/85/07/1066168507.db2.gz HPMWGNYMSNIMNU-BULFRSBZSA-N 1 1 493.668 4.082 20 0 JIADMO CSc1cc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CCOc3ccccc3)CC2)ccn1 ZINC001316413605 1066205597 /nfs/dbraw/zinc/20/55/97/1066205597.db2.gz DQYVMYYWOMTJJQ-UHFFFAOYSA-N 1 1 480.682 4.233 20 0 JIADMO Cc1cccc(-c2nnc(N(C)Cc3cccc(OC(C)C)c3)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001492498515 1066222092 /nfs/dbraw/zinc/22/20/92/1066222092.db2.gz IGHDZNTZQZETFS-UHFFFAOYSA-N 1 1 478.641 4.183 20 0 JIADMO Cc1cccc(-c2nnc(N(C)Cc3cccc(OC(C)C)c3)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001492498515 1066222107 /nfs/dbraw/zinc/22/21/07/1066222107.db2.gz IGHDZNTZQZETFS-UHFFFAOYSA-N 1 1 478.641 4.183 20 0 JIADMO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)O[C@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c12 ZINC001325215426 1066240001 /nfs/dbraw/zinc/24/00/01/1066240001.db2.gz NONLPSUPELNTMJ-NFBKMPQASA-N 1 1 498.583 4.443 20 0 JIADMO CS[C@H]1CCCCN(c2nnc(-c3ccccn3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001316426536 1066246785 /nfs/dbraw/zinc/24/67/85/1066246785.db2.gz JDNSBNZEZUHPNF-NRFANRHFSA-N 1 1 454.619 4.333 20 0 JIADMO O=C1Nc2ccccc2[C@H]1C1CC[NH+](Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC001325702098 1066264675 /nfs/dbraw/zinc/26/46/75/1066264675.db2.gz CIBOHMBWBDAUBP-HXUWFJFHSA-N 1 1 453.340 4.447 20 0 JIADMO CSC[C@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001316435754 1066287625 /nfs/dbraw/zinc/28/76/25/1066287625.db2.gz YZIRZADOUVUSNI-IEBWSBKVSA-N 1 1 495.535 4.498 20 0 JIADMO CSC[C@@H]1CCCN1c1nnc(-c2ccc(Br)s2)n1CCn1cc[nH+]c1C ZINC001316439523 1066295479 /nfs/dbraw/zinc/29/54/79/1066295479.db2.gz YCEJIWJQOFTVHA-AWEZNQCLSA-N 1 1 467.462 4.306 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CCC[N@@H+](C)Cc2ccccc2)n1 ZINC001492501901 1066299438 /nfs/dbraw/zinc/29/94/38/1066299438.db2.gz BIEWBILPUWVTPX-UHFFFAOYSA-N 1 1 478.641 4.006 20 0 JIADMO COc1ccc(C(NC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccc(OC)cc2)cc1 ZINC001326732784 1066303821 /nfs/dbraw/zinc/30/38/21/1066303821.db2.gz YUMPMYZCXKLQPL-MZKRTTBSSA-N 1 1 467.610 4.076 20 0 JIADMO COc1ccc(C(NC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccc(OC)cc2)cc1 ZINC001326732784 1066303839 /nfs/dbraw/zinc/30/38/39/1066303839.db2.gz YUMPMYZCXKLQPL-MZKRTTBSSA-N 1 1 467.610 4.076 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001316443769 1066308859 /nfs/dbraw/zinc/30/88/59/1066308859.db2.gz TVYWQTYIUDTFSS-VQTJNVASSA-N 1 1 481.670 4.184 20 0 JIADMO Cc1cccc(-c2nnc(N(Cc3cccc(F)c3)C[C@@H]3CCCO3)n2CC[N@H+](C)C(C)C)n1 ZINC001492504319 1066319251 /nfs/dbraw/zinc/31/92/51/1066319251.db2.gz RHTZLEONWUUFIZ-QHCPKHFHSA-N 1 1 466.605 4.313 20 0 JIADMO Cc1cccc(-c2nnc(N3Cc4cccc(Br)c4C3)n2CC[N@H+](C)C(C)C)n1 ZINC001492505396 1066323383 /nfs/dbraw/zinc/32/33/83/1066323383.db2.gz AJBABIJKRVJTBU-UHFFFAOYSA-N 1 1 455.404 4.271 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cc4c(cccc4OC(F)(F)F)[nH]3)C2)ccn1 ZINC001328451974 1066323829 /nfs/dbraw/zinc/32/38/29/1066323829.db2.gz VOXBOTAUFZBZEB-KRWDZBQOSA-N 1 1 462.472 4.207 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001316449400 1066326166 /nfs/dbraw/zinc/32/61/66/1066326166.db2.gz IJVYJPFGURFDDH-ZWKOTPCHSA-N 1 1 458.607 4.033 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001492508632 1066335023 /nfs/dbraw/zinc/33/50/23/1066335023.db2.gz WGDOBIDDQNRKBL-YADARESESA-N 1 1 494.606 4.443 20 0 JIADMO Cc1c2c(cccc2F)sc1S(=O)(=O)N1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC001329441938 1066338917 /nfs/dbraw/zinc/33/89/17/1066338917.db2.gz LSWYLPVMNJRIFT-LJQANCHMSA-N 1 1 477.627 4.426 20 0 JIADMO Cc1cccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492511191 1066344460 /nfs/dbraw/zinc/34/44/60/1066344460.db2.gz QOGAXKUDRAIABN-XJUOHMSHSA-N 1 1 454.663 4.268 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CC3(CCCC3)c3cc(Br)ccc32)cn1 ZINC001330140025 1066346797 /nfs/dbraw/zinc/34/67/97/1066346797.db2.gz IWTNDBJEBDGVFW-RTBURBONSA-N 1 1 457.416 4.077 20 0 JIADMO Cc1c(Br)cccc1S(=O)(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC001475350581 1066349927 /nfs/dbraw/zinc/34/99/27/1066349927.db2.gz PYWZIHQNLHSGFV-IBGZPJMESA-N 1 1 455.418 4.126 20 0 JIADMO CCN(C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)ccn1 ZINC001331003699 1066355470 /nfs/dbraw/zinc/35/54/70/1066355470.db2.gz RKGXYAPOPUHMHM-QFIPXVFZSA-N 1 1 459.516 4.391 20 0 JIADMO CCN(C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)ccn1 ZINC001331003699 1066355490 /nfs/dbraw/zinc/35/54/90/1066355490.db2.gz RKGXYAPOPUHMHM-QFIPXVFZSA-N 1 1 459.516 4.391 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)n1 ZINC001492514811 1066357309 /nfs/dbraw/zinc/35/73/09/1066357309.db2.gz VJYWUOWUNLGIGM-SFTDATJTSA-N 1 1 497.688 4.215 20 0 JIADMO COc1ccc(OC)c(-c2csc(NC(=O)CN3CCC[N@@H+](Cc4ccc(C)cc4)CC3)n2)c1 ZINC001331335907 1066359043 /nfs/dbraw/zinc/35/90/43/1066359043.db2.gz VSTGJNNUIDCWIX-UHFFFAOYSA-N 1 1 480.634 4.282 20 0 JIADMO 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 1066373224 /nfs/dbraw/zinc/37/32/24/1066373224.db2.gz SBJHMFIXJHZZPK-ZVDOUQERSA-N 1 1 493.622 4.089 20 0 JIADMO Cc1c(-c2nc(-c3ccc(N4CCN(c5ccc(F)cc5)CC4)nc3)no2)cnn1-c1cc[nH+]cc1 ZINC001332502511 1066377068 /nfs/dbraw/zinc/37/70/68/1066377068.db2.gz YEAJWEBZIBOOIQ-UHFFFAOYSA-N 1 1 482.523 4.153 20 0 JIADMO CSCCCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001316475084 1066384940 /nfs/dbraw/zinc/38/49/40/1066384940.db2.gz OGQOGCSWDXWZFW-KRWDZBQOSA-N 1 1 450.052 4.041 20 0 JIADMO CC(C)(C)OC(=O)N1CCc2ccc(Cc3nc(-c4ccc(C[NH+]5CCOCC5)cc4)no3)cc21 ZINC001334070784 1066392130 /nfs/dbraw/zinc/39/21/30/1066392130.db2.gz JBCVCQAMRNPTCN-UHFFFAOYSA-N 1 1 476.577 4.457 20 0 JIADMO C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+](C)C2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001316489431 1066421069 /nfs/dbraw/zinc/42/10/69/1066421069.db2.gz OKHHQBDWHMOZQB-IFMALSPDSA-N 1 1 490.693 4.230 20 0 JIADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCc1ccc(Br)cc1 ZINC001316493027 1066434176 /nfs/dbraw/zinc/43/41/76/1066434176.db2.gz ZICCDHRBDOHUSG-GOSISDBHSA-N 1 1 490.490 4.270 20 0 JIADMO C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CCC[NH+]2CCOCC2)C[C@H](C)C1(F)F ZINC001316493242 1066434824 /nfs/dbraw/zinc/43/48/24/1066434824.db2.gz IXDPANHQECTLQO-CALCHBBNSA-N 1 1 498.416 4.157 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccn3C)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C[C@H](C)O1 ZINC001316502787 1066466176 /nfs/dbraw/zinc/46/61/76/1066466176.db2.gz CXQLVIXYELOCMQ-ADYITMSISA-N 1 1 486.705 4.059 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccn3C)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C[C@H](C)O1 ZINC001316502787 1066466188 /nfs/dbraw/zinc/46/61/88/1066466188.db2.gz CXQLVIXYELOCMQ-ADYITMSISA-N 1 1 486.705 4.059 20 0 JIADMO FC(F)(F)C1=CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[NH+]2CCOCC2)CC1 ZINC001316510018 1066492512 /nfs/dbraw/zinc/49/25/12/1066492512.db2.gz DAASWVDYTPQCMJ-UHFFFAOYSA-N 1 1 455.912 4.020 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(S(=O)(=O)Nc3cc(C)ccc3Br)c2)C1 ZINC001337982119 1066523058 /nfs/dbraw/zinc/52/30/58/1066523058.db2.gz LLFNLEPABSCICA-QGZVFWFLSA-N 1 1 494.455 4.020 20 0 JIADMO Fc1ccc(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001316524205 1066535521 /nfs/dbraw/zinc/53/55/21/1066535521.db2.gz FQEIRKYTEDQSTH-UHFFFAOYSA-N 1 1 467.511 4.427 20 0 JIADMO Fc1cccc(F)c1Cc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CC(F)(F)F ZINC001316530275 1066549701 /nfs/dbraw/zinc/54/97/01/1066549701.db2.gz XWKLLFRFCHQMSE-UHFFFAOYSA-N 1 1 457.472 4.093 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001338428630 1066553807 /nfs/dbraw/zinc/55/38/07/1066553807.db2.gz CIPKZGUWUQHKDC-IBGZPJMESA-N 1 1 496.409 4.303 20 0 JIADMO Cc1cccc(CN2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCCCC3)CC2)c1 ZINC001492534684 1066582261 /nfs/dbraw/zinc/58/22/61/1066582261.db2.gz KJUNQJHFBNDJPV-UHFFFAOYSA-N 1 1 452.691 4.471 20 0 JIADMO COc1cc(-c2cc(C(=O)OC[C@@H]3C[N@@H+](CC(C)C)CCO3)c3ccccc3n2)cc(OC)c1OC ZINC001341905217 1066591735 /nfs/dbraw/zinc/59/17/35/1066591735.db2.gz YTQAEURMPKXIIL-FQEVSTJZSA-N 1 1 494.588 4.441 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2CC[C@H](C)C2)c1 ZINC001492538249 1066604564 /nfs/dbraw/zinc/60/45/64/1066604564.db2.gz XPAFDAANDDLQDC-XZOQPEGZSA-N 1 1 469.674 4.396 20 0 JIADMO OCCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001316587981 1066614614 /nfs/dbraw/zinc/61/46/14/1066614614.db2.gz FMTIHYUZWKZMFO-HNNXBMFYSA-N 1 1 488.822 4.484 20 0 JIADMO OCCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001316590916 1066620176 /nfs/dbraw/zinc/62/01/76/1066620176.db2.gz YLJKNEWRFXPWEL-SFHVURJKSA-N 1 1 484.859 4.268 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)C[C@@H]3CC=CCC3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001492539087 1066621531 /nfs/dbraw/zinc/62/15/31/1066621531.db2.gz BYIJICRLQGOHHP-JOCHJYFZSA-N 1 1 453.631 4.069 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)C[C@@H]3CC=CCC3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001492539087 1066621533 /nfs/dbraw/zinc/62/15/33/1066621533.db2.gz BYIJICRLQGOHHP-JOCHJYFZSA-N 1 1 453.631 4.069 20 0 JIADMO COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c2)cc1 ZINC001317718634 1066646568 /nfs/dbraw/zinc/64/65/68/1066646568.db2.gz BSQLDEVJNHKDEF-GOSISDBHSA-N 1 1 494.057 4.168 20 0 JIADMO COc1ccc([C@@H](CNC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)[NH+]2CCCCC2)cc1 ZINC001345942628 1066648491 /nfs/dbraw/zinc/64/84/91/1066648491.db2.gz FHKSWQZJYMMVAY-DENIHFKCSA-N 1 1 450.579 4.416 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)C1 ZINC001347323327 1066679169 /nfs/dbraw/zinc/67/91/69/1066679169.db2.gz ONBIZNLTZGISEC-ZDUSSCGKSA-N 1 1 457.415 4.422 20 0 JIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC001317807362 1066700773 /nfs/dbraw/zinc/70/07/73/1066700773.db2.gz FNTUURHEOPJURW-QNGOZBTKSA-N 1 1 475.578 4.402 20 0 JIADMO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC001317815088 1066704375 /nfs/dbraw/zinc/70/43/75/1066704375.db2.gz ICSPUDQJWDTUHO-UHFFFAOYSA-N 1 1 453.539 4.475 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CC2)cc1 ZINC001317842753 1066725138 /nfs/dbraw/zinc/72/51/38/1066725138.db2.gz LKOWEOSJNPNTFX-NHCUHLMSSA-N 1 1 454.590 4.488 20 0 JIADMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC001317887182 1066756711 /nfs/dbraw/zinc/75/67/11/1066756711.db2.gz ANIHXHIWTGRFRI-UHFFFAOYSA-N 1 1 484.021 4.197 20 0 JIADMO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC001348901590 1066788200 /nfs/dbraw/zinc/78/82/00/1066788200.db2.gz WOQNOUQSNPCXCT-NRFANRHFSA-N 1 1 473.499 4.020 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCN(C(=O)c4ccc(Cl)s4)CC3)CC2)cc1 ZINC001317922016 1066788376 /nfs/dbraw/zinc/78/83/76/1066788376.db2.gz MEWNKNPBOMMKNU-UHFFFAOYSA-N 1 1 460.043 4.297 20 0 JIADMO CCOC(=O)c1ccn(-c2cccc(NC(=O)NCc3ccc(-n4cc[nH+]c4C)c(F)c3)c2)n1 ZINC001317971550 1066823407 /nfs/dbraw/zinc/82/34/07/1066823407.db2.gz AGLAQHTULWPGGS-UHFFFAOYSA-N 1 1 462.485 4.004 20 0 JIADMO CC(C)c1oc(-c2ccccc2)nc1C(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC001318008062 1066848536 /nfs/dbraw/zinc/84/85/36/1066848536.db2.gz AFJYZFCDWTXDNP-HSZRJFAPSA-N 1 1 472.589 4.201 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CCCOC(C)C)c1 ZINC001492546773 1066852607 /nfs/dbraw/zinc/85/26/07/1066852607.db2.gz BBOJYVFNEUQCQH-JOCHJYFZSA-N 1 1 455.647 4.291 20 0 JIADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1nc(-c2ccccc2)oc1C(C)C ZINC001318016371 1066853892 /nfs/dbraw/zinc/85/38/92/1066853892.db2.gz IGLLESGEXGCPCF-UHFFFAOYSA-N 1 1 462.550 4.114 20 0 JIADMO COc1ccccc1[C@@H]1[C@H](C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCC(=O)N1c1ccc(C)cc1 ZINC001318061791 1066878933 /nfs/dbraw/zinc/87/89/33/1066878933.db2.gz PFZILHOXNNIEAO-LSCGWGKXSA-N 1 1 461.606 4.185 20 0 JIADMO S=c1n(CN2CCC[N@H+]3CCC[C@@H]3C2)nc(-c2cccnc2)n1-c1ccc(Br)cc1 ZINC001318095323 1066896938 /nfs/dbraw/zinc/89/69/38/1066896938.db2.gz QNISDKFJIWHISX-HXUWFJFHSA-N 1 1 485.455 4.355 20 0 JIADMO CCN(Cc1ccc(OC)cc1OC)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001350103678 1066918532 /nfs/dbraw/zinc/91/85/32/1066918532.db2.gz YQAZGUANRIMPEL-IZZNHLLZSA-N 1 1 459.590 4.363 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC001318139795 1066919282 /nfs/dbraw/zinc/91/92/82/1066919282.db2.gz DPNXFONBLVJAMF-OYRHEFFESA-N 1 1 496.652 4.320 20 0 JIADMO COC(=O)/C=C/c1ccc(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)o1 ZINC001350123863 1066921240 /nfs/dbraw/zinc/92/12/40/1066921240.db2.gz SEPFJFOSSUQSPW-WYMLVPIESA-N 1 1 459.546 4.036 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001318156311 1066929122 /nfs/dbraw/zinc/92/91/22/1066929122.db2.gz MOWJEJDERLCFDL-GGAORHGYSA-N 1 1 458.647 4.248 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)C1 ZINC001318173180 1066939001 /nfs/dbraw/zinc/93/90/01/1066939001.db2.gz LQBGAELCWKBIAO-DBTWGZIYSA-N 1 1 463.622 4.336 20 0 JIADMO COC(=O)c1ccc(OC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c(OC)c1 ZINC001350324897 1066943515 /nfs/dbraw/zinc/94/35/15/1066943515.db2.gz GSZKUCCXQNIXNP-QDPGVEIFSA-N 1 1 459.542 4.477 20 0 JIADMO O=C(Nc1cccc(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)c1)c1cccnc1 ZINC001318210565 1066960152 /nfs/dbraw/zinc/96/01/52/1066960152.db2.gz RNPOIAFBAARCFB-UHFFFAOYSA-N 1 1 454.534 4.448 20 0 JIADMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)C2=C(c3ccccc3)CCCC2)ccc1F ZINC001350474364 1066961238 /nfs/dbraw/zinc/96/12/38/1066961238.db2.gz GHFFXENIWRTQMS-UHFFFAOYSA-N 1 1 451.542 4.453 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@H]3c3cccc(Br)c3)c2)CC1 ZINC001318225590 1066970005 /nfs/dbraw/zinc/97/00/05/1066970005.db2.gz BTCMNYGARBNQKS-QHCPKHFHSA-N 1 1 471.443 4.243 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC001318229578 1066973319 /nfs/dbraw/zinc/97/33/19/1066973319.db2.gz JGLNNXRLUYSDCV-UHFFFAOYSA-N 1 1 469.471 4.401 20 0 JIADMO CCC(=O)N1CC[C@@H](C(=O)NC[C@H](c2ccc(C(C)C)cc2)[N@@H+]2CCc3sccc3C2)C1 ZINC001350594544 1066976425 /nfs/dbraw/zinc/97/64/25/1066976425.db2.gz NXYPZTDEKMJHTF-DHIUTWEWSA-N 1 1 453.652 4.346 20 0 JIADMO CCC(=O)N1CC[C@@H](C(=O)NC[C@H](c2ccc(C(C)C)cc2)[N@H+]2CCc3sccc3C2)C1 ZINC001350594544 1066976436 /nfs/dbraw/zinc/97/64/36/1066976436.db2.gz NXYPZTDEKMJHTF-DHIUTWEWSA-N 1 1 453.652 4.346 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[NH+](Cc4cccs4)CC3)n2CCOC(C)(C)C)c1 ZINC001492548047 1066978247 /nfs/dbraw/zinc/97/82/47/1066978247.db2.gz QQFKZHVSZCMQDM-UHFFFAOYSA-N 1 1 469.655 4.364 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(Cc3csc(-c4ccc(S(C)(=O)=O)cc4)n3)CC2)cc1 ZINC001318244377 1066981101 /nfs/dbraw/zinc/98/11/01/1066981101.db2.gz JMMUBCRGSOLCFR-UHFFFAOYSA-N 1 1 455.649 4.230 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2NC(=O)c2ccc(OC)cc2)C1 ZINC001318251177 1066984170 /nfs/dbraw/zinc/98/41/70/1066984170.db2.gz WVDPTYRVLTZXQP-MRXNPFEDSA-N 1 1 474.399 4.172 20 0 JIADMO Cc1c(NC(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)cccc1C(=O)Nc1ccccc1 ZINC001318251410 1066984423 /nfs/dbraw/zinc/98/44/23/1066984423.db2.gz VAELJMBFLIVVHF-UHFFFAOYSA-N 1 1 471.605 4.316 20 0 JIADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCC(Nc4ccccc4Cl)CC3)cc2)CC1 ZINC001318279708 1066999347 /nfs/dbraw/zinc/99/93/47/1066999347.db2.gz BYZSTQKEGMQGKZ-UHFFFAOYSA-N 1 1 470.017 4.226 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)NC3(c4ccc(Br)cc4)CCC3)c2)CC1 ZINC001318279753 1066999414 /nfs/dbraw/zinc/99/94/14/1066999414.db2.gz DPARBAYLHHCPHX-UHFFFAOYSA-N 1 1 471.443 4.075 20 0 JIADMO CC(C)c1ccc(OC2CCN(C(=O)NCc3cccc(C[NH+]4CCN(C)CC4)c3)CC2)cc1 ZINC001318279979 1066999521 /nfs/dbraw/zinc/99/95/21/1066999521.db2.gz DEVIRIOOZAHGNZ-UHFFFAOYSA-N 1 1 464.654 4.310 20 0 JIADMO C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1)c1cc(F)c(Cl)cc1Cl ZINC001318280754 1066999859 /nfs/dbraw/zinc/99/98/59/1066999859.db2.gz MVOSXWXEVGFOJM-OAHLLOKOSA-N 1 1 453.389 4.440 20 0 JIADMO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC001318305925 1067009646 /nfs/dbraw/zinc/00/96/46/1067009646.db2.gz JQEUXYBFDPDWQE-VWLOTQADSA-N 1 1 467.617 4.391 20 0 JIADMO O=C(c1nc(Br)ccc1Br)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC001350856830 1067010726 /nfs/dbraw/zinc/01/07/26/1067010726.db2.gz SQWKPYJQQLLQCV-ZDUSSCGKSA-N 1 1 451.162 4.231 20 0 JIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)cc1 ZINC001350859284 1067010910 /nfs/dbraw/zinc/01/09/10/1067010910.db2.gz QSGFXCJSJBAGGN-OAHLLOKOSA-N 1 1 455.360 4.052 20 0 JIADMO O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318416806 1067039326 /nfs/dbraw/zinc/03/93/26/1067039326.db2.gz CZAXHQHMHLVUKF-UHFFFAOYSA-N 1 1 478.641 4.145 20 0 JIADMO O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318418934 1067039990 /nfs/dbraw/zinc/03/99/90/1067039990.db2.gz ZUDQDCWYEQYTBJ-UHFFFAOYSA-N 1 1 491.617 4.009 20 0 JIADMO CCOC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)C1 ZINC001354691075 1067044775 /nfs/dbraw/zinc/04/47/75/1067044775.db2.gz BAAJGHUQORZYSK-LJQANCHMSA-N 1 1 459.587 4.067 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3ccccc3COCc3ccccc3)c2)CC1 ZINC001318458553 1067044976 /nfs/dbraw/zinc/04/49/76/1067044976.db2.gz OGLONNUSRONICW-UHFFFAOYSA-N 1 1 458.606 4.473 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cc(C)nc4c3cnn4Cc3ccc(C)cc3)C2)ccn1 ZINC001351117870 1067048016 /nfs/dbraw/zinc/04/80/16/1067048016.db2.gz QPUGVCGYITZZLK-VWLOTQADSA-N 1 1 498.631 4.237 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)N[C@@H](COc3ccccc3)c3ccccc3)c2)CC1 ZINC001318598379 1067055312 /nfs/dbraw/zinc/05/53/12/1067055312.db2.gz LQOMNCJHROMQMU-MHZLTWQESA-N 1 1 458.606 4.054 20 0 JIADMO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CNC1CCC(C)([NH+]2CCC2)CC1 ZINC001474737187 1067070722 /nfs/dbraw/zinc/07/07/22/1067070722.db2.gz OTRCZNIDIDJMST-UHFFFAOYSA-N 1 1 451.398 4.462 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)cc1F ZINC001351329608 1067078328 /nfs/dbraw/zinc/07/83/28/1067078328.db2.gz VDNZPKCKDRJOCZ-HSZRJFAPSA-N 1 1 450.514 4.127 20 0 JIADMO CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001320672875 1067090871 /nfs/dbraw/zinc/09/08/71/1067090871.db2.gz GSLHKQLUOWEPLL-AREMUKBSSA-N 1 1 490.673 4.129 20 0 JIADMO CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001321485901 1067143439 /nfs/dbraw/zinc/14/34/39/1067143439.db2.gz KXFJMDDCHUOLBA-JOCHJYFZSA-N 1 1 480.588 4.295 20 0 JIADMO Cc1c(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)nnn1-c1ccc(F)c(Cl)c1 ZINC001321636211 1067185556 /nfs/dbraw/zinc/18/55/56/1067185556.db2.gz DZEFHDIQIZQJBS-UHFFFAOYSA-N 1 1 467.936 4.483 20 0 JIADMO Cc1ccc(NC(=O)c2ccc(NC(=O)C(C)(C)C)nc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001351739049 1067186133 /nfs/dbraw/zinc/18/61/33/1067186133.db2.gz NLHYEHBGSQDZOI-UHFFFAOYSA-N 1 1 451.571 4.051 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCSCC(F)(F)F ZINC001492578774 1067186220 /nfs/dbraw/zinc/18/62/20/1067186220.db2.gz WHJIOWWJIJRVIQ-UHFFFAOYSA-N 1 1 485.620 4.020 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCSCC(F)(F)F ZINC001492578774 1067186233 /nfs/dbraw/zinc/18/62/33/1067186233.db2.gz WHJIOWWJIJRVIQ-UHFFFAOYSA-N 1 1 485.620 4.020 20 0 JIADMO O=C(Cc1ccccc1N1CCCC1=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001351776761 1067201927 /nfs/dbraw/zinc/20/19/27/1067201927.db2.gz PJKNVMJNOXVDDN-UHFFFAOYSA-N 1 1 459.512 4.109 20 0 JIADMO COCCn1cc(NC(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)ccc1=O ZINC001322064065 1067245862 /nfs/dbraw/zinc/24/58/62/1067245862.db2.gz PWGPJCHUHVBLMM-UHFFFAOYSA-N 1 1 487.025 4.226 20 0 JIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cnc(Br)c(Br)c1 ZINC001352020338 1067270597 /nfs/dbraw/zinc/27/05/97/1067270597.db2.gz ZTSAANWZRZRYMW-AWEZNQCLSA-N 1 1 457.166 4.157 20 0 JIADMO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 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Cc1ccc(NC(=S)N2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c(Br)c1 ZINC001200149133 1067763925 /nfs/dbraw/zinc/76/39/25/1067763925.db2.gz ROCHQYNLJHSWFJ-WIYYLYMNSA-N 1 1 475.456 4.072 20 0 JIADMO O=C(Nc1ccccc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1Br ZINC001300129791 1067764999 /nfs/dbraw/zinc/76/49/99/1067764999.db2.gz PLIRVTSPDSFBHM-RTWAWAEBSA-N 1 1 456.384 4.448 20 0 JIADMO Cc1ccc(NC(=S)N2CC[NH+](C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c(Br)c1 ZINC001200149709 1067765331 /nfs/dbraw/zinc/76/53/31/1067765331.db2.gz ZZGXOBAPWGBDTI-UHFFFAOYSA-N 1 1 497.503 4.471 20 0 JIADMO 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 1067767552 /nfs/dbraw/zinc/76/75/52/1067767552.db2.gz ZMWOPFUQQQFSSE-SCTDSRPQSA-N 1 1 453.027 4.378 20 0 JIADMO CC[C@H](C)NC(=O)c1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001356551994 1067776531 /nfs/dbraw/zinc/77/65/31/1067776531.db2.gz ZFPCGGBZPYMKLG-WUMKDDEVSA-N 1 1 476.646 4.203 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1CC[N@H+](C)C(C)C ZINC001492584683 1067798997 /nfs/dbraw/zinc/79/89/97/1067798997.db2.gz PZWISOCYMXDYBE-QFIPXVFZSA-N 1 1 466.605 4.099 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccc3scc(Br)c3c2)c1 ZINC001357127539 1067807001 /nfs/dbraw/zinc/80/70/01/1067807001.db2.gz UXKYSXUTLGXQMX-GOSISDBHSA-N 1 1 458.381 4.366 20 0 JIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc3scc(Br)c3c2)c1 ZINC001357127539 1067807003 /nfs/dbraw/zinc/80/70/03/1067807003.db2.gz UXKYSXUTLGXQMX-GOSISDBHSA-N 1 1 458.381 4.366 20 0 JIADMO COc1ccc(CCn2c(Cc3ccncc3)nnc2N2CCC[N@H+](C(C)C)CC2)c(Cl)c1OC ZINC001300151726 1067808161 /nfs/dbraw/zinc/80/81/61/1067808161.db2.gz JDJXNXUVQQASRE-UHFFFAOYSA-N 1 1 499.059 4.098 20 0 JIADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)c1cc(C(F)F)n(C)n1)CC2 ZINC001357166726 1067813574 /nfs/dbraw/zinc/81/35/74/1067813574.db2.gz QWKDXPSLZBEBGP-UHFFFAOYSA-N 1 1 456.493 4.186 20 0 JIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)c1cc(C(F)F)n(C)n1)CC2 ZINC001357166726 1067813577 /nfs/dbraw/zinc/81/35/77/1067813577.db2.gz QWKDXPSLZBEBGP-UHFFFAOYSA-N 1 1 456.493 4.186 20 0 JIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)[C@H](c3cnn(C)c3)c3cccc(F)c3)cc2)C[C@@H](C)O1 ZINC001357180945 1067815225 /nfs/dbraw/zinc/81/52/25/1067815225.db2.gz ZCEIYKYTBCVWRK-RRQZXNHTSA-N 1 1 450.558 4.030 20 0 JIADMO 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 1067817192 /nfs/dbraw/zinc/81/71/92/1067817192.db2.gz IFKIOFDISWNVBP-HDICACEKSA-N 1 1 451.611 4.360 20 0 JIADMO Cc1cccc(Cl)c1NC(=S)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001200192309 1067825801 /nfs/dbraw/zinc/82/58/01/1067825801.db2.gz SHTURFBFUKEOKZ-UHFFFAOYSA-N 1 1 471.070 4.402 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001492585389 1067827747 /nfs/dbraw/zinc/82/77/47/1067827747.db2.gz FPXBKUVNCFTBDB-XMMPIXPASA-N 1 1 466.699 4.462 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001492585389 1067827748 /nfs/dbraw/zinc/82/77/48/1067827748.db2.gz FPXBKUVNCFTBDB-XMMPIXPASA-N 1 1 466.699 4.462 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001492585389 1067827749 /nfs/dbraw/zinc/82/77/49/1067827749.db2.gz FPXBKUVNCFTBDB-XMMPIXPASA-N 1 1 466.699 4.462 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC[N@H+]2CCC[C@H](C)C2)cc1OC(F)F ZINC001300169894 1067828306 /nfs/dbraw/zinc/82/83/06/1067828306.db2.gz LYWNOWYANYIXIP-RXVVDRJESA-N 1 1 493.599 4.498 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1F ZINC001300176105 1067835388 /nfs/dbraw/zinc/83/53/88/1067835388.db2.gz HFTREZGULPXAHF-QFIPXVFZSA-N 1 1 480.632 4.416 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001300176109 1067835485 /nfs/dbraw/zinc/83/54/85/1067835485.db2.gz HHSFIUGEABKTOE-SZPZYZBQSA-N 1 1 492.668 4.105 20 0 JIADMO C[C@@H](CNC(=O)c1cc(Br)ccc1Br)[N@@H+]1CCc2sccc2C1 ZINC001357338054 1067836268 /nfs/dbraw/zinc/83/62/68/1067836268.db2.gz LOICJVNNQOALOZ-NSHDSACASA-N 1 1 458.219 4.450 20 0 JIADMO C[C@@H](CNC(=O)c1cc(Br)ccc1Br)[N@H+]1CCc2sccc2C1 ZINC001357338054 1067836270 /nfs/dbraw/zinc/83/62/70/1067836270.db2.gz LOICJVNNQOALOZ-NSHDSACASA-N 1 1 458.219 4.450 20 0 JIADMO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)nn1-c1ccccc1Br ZINC001357348657 1067837214 /nfs/dbraw/zinc/83/72/14/1067837214.db2.gz BSMUEQWRZGBSQO-HNNXBMFYSA-N 1 1 459.413 4.181 20 0 JIADMO Cc1cc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)nn1-c1ccccc1Br ZINC001357348657 1067837216 /nfs/dbraw/zinc/83/72/16/1067837216.db2.gz BSMUEQWRZGBSQO-HNNXBMFYSA-N 1 1 459.413 4.181 20 0 JIADMO CCn1c(SCC(=O)Nc2c[nH+]ccc2-n2cc(C)cn2)nnc1-c1ccc(Cl)cc1 ZINC001357397719 1067843590 /nfs/dbraw/zinc/84/35/90/1067843590.db2.gz VULXZFGUFCOSKK-UHFFFAOYSA-N 1 1 453.959 4.238 20 0 JIADMO Cc1cc(Br)cc(C)c1NC(=S)N1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001200221908 1067864047 /nfs/dbraw/zinc/86/40/47/1067864047.db2.gz MWMATHRGWUEJPT-UHFFFAOYSA-N 1 1 450.450 4.315 20 0 JIADMO COc1ccc(Cn2c(-c3ccccc3Br)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cn1 ZINC001300196329 1067864993 /nfs/dbraw/zinc/86/49/93/1067864993.db2.gz KPHAECCYJBRPMG-UHFFFAOYSA-N 1 1 499.457 4.470 20 0 JIADMO Cc1cc(Br)cc(C)c1NC(=S)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001200222585 1067865746 /nfs/dbraw/zinc/86/57/46/1067865746.db2.gz TUORWILKWLTZSU-HUUCEWRRSA-N 1 1 451.459 4.283 20 0 JIADMO Cc1cccc(CO[C@H]2C[C@H]3CN(C(=S)Nc4c(C)cc(Br)cc4C)CC[N@H+]3C2)n1 ZINC001200223218 1067867340 /nfs/dbraw/zinc/86/73/40/1067867340.db2.gz UEGAIYLUQCVZOJ-SFTDATJTSA-N 1 1 489.483 4.441 20 0 JIADMO CC[NH+](CC)[C@H](C(=O)NCC(=O)Nc1cccc2cccnc21)c1cccc(C(F)(F)F)c1 ZINC001357568828 1067871813 /nfs/dbraw/zinc/87/18/13/1067871813.db2.gz FIGHAIBUOLNYKG-QFIPXVFZSA-N 1 1 458.484 4.391 20 0 JIADMO Cc1nc(Cn2c(-c3ccccc3C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)sc1C ZINC001492557633 1067871847 /nfs/dbraw/zinc/87/18/47/1067871847.db2.gz QXIQXMJAJFCGCV-UHFFFAOYSA-N 1 1 468.671 4.170 20 0 JIADMO CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001300206943 1067878673 /nfs/dbraw/zinc/87/86/73/1067878673.db2.gz UYGXHHALTMJZHR-YIXXDRMTSA-N 1 1 451.611 4.293 20 0 JIADMO COC(=O)[C@]1(NC(=S)Nc2c(C)cc(Br)cc2C)CC[N@@H+](Cc2ccccc2)C1 ZINC001200239214 1067881721 /nfs/dbraw/zinc/88/17/21/1067881721.db2.gz VLIHSDYORRWXDJ-QFIPXVFZSA-N 1 1 476.440 4.170 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(Cl)cc(Br)c3)cc2)C1 ZINC001357644925 1067881810 /nfs/dbraw/zinc/88/18/10/1067881810.db2.gz MJCSWBWPNSQELA-AWEZNQCLSA-N 1 1 450.764 4.052 20 0 JIADMO COc1ccc(Cn2c(CC(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@H]2C)c(C(F)(F)F)c1 ZINC001300215688 1067885666 /nfs/dbraw/zinc/88/56/66/1067885666.db2.gz DLWFNFRCUOEIBT-GOSISDBHSA-N 1 1 495.590 4.242 20 0 JIADMO C[C@H](NC(=O)c1cc(F)ccc1I)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357780033 1067898689 /nfs/dbraw/zinc/89/86/89/1067898689.db2.gz JBZGGCYPNFRNEA-GOEBONIOSA-N 1 1 452.311 4.071 20 0 JIADMO COc1ccc(CN2CCN(c3nnc(C(C)C)n3C[C@@H]3CCC[N@@H+](CC(C)C)C3)CC2)cc1F ZINC001300230332 1067907061 /nfs/dbraw/zinc/90/70/61/1067907061.db2.gz GQQFNYFJQJZTJW-HSZRJFAPSA-N 1 1 486.680 4.239 20 0 JIADMO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001200269117 1067914275 /nfs/dbraw/zinc/91/42/75/1067914275.db2.gz XESWNQAJTHQJRX-UHFFFAOYSA-N 1 1 488.698 4.326 20 0 JIADMO COC(=O)CC[N@@H+]1CCN(C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)[C@H](C)C1 ZINC001357839097 1067918447 /nfs/dbraw/zinc/91/84/47/1067918447.db2.gz VXZMSEXMXXKYRF-GOSISDBHSA-N 1 1 451.542 4.002 20 0 JIADMO COC(=O)CC[N@H+]1CCN(C(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)[C@H](C)C1 ZINC001357839097 1067918458 /nfs/dbraw/zinc/91/84/58/1067918458.db2.gz VXZMSEXMXXKYRF-GOSISDBHSA-N 1 1 451.542 4.002 20 0 JIADMO CCCN(C(=O)c1cnc(NC(=O)OC(C)(C)C)cn1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357959151 1067958992 /nfs/dbraw/zinc/95/89/92/1067958992.db2.gz GHJNJHUBADWBDA-FQEVSTJZSA-N 1 1 453.587 4.340 20 0 JIADMO 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ZINC001358287305 1068060641 /nfs/dbraw/zinc/06/06/41/1068060641.db2.gz SYEXHNOBBYSGQF-UHFFFAOYSA-N 1 1 453.583 4.480 20 0 JIADMO COc1ccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H]2CCC=CO2)cc1 ZINC001300279485 1068068052 /nfs/dbraw/zinc/06/80/52/1068068052.db2.gz BDHIMDXXBYHEJQ-DEOSSOPVSA-N 1 1 469.630 4.115 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC001358344836 1068071080 /nfs/dbraw/zinc/07/10/80/1068071080.db2.gz UGQRIXFYVUCHDF-GQEMFKIVSA-N 1 1 451.876 4.374 20 0 JIADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC001358344836 1068071092 /nfs/dbraw/zinc/07/10/92/1068071092.db2.gz UGQRIXFYVUCHDF-GQEMFKIVSA-N 1 1 451.876 4.374 20 0 JIADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC001473366392 1068072250 /nfs/dbraw/zinc/07/22/50/1068072250.db2.gz SPJGKRLZHBYVGM-AZUAARDMSA-N 1 1 457.640 4.411 20 0 JIADMO CC(C)(C)OC(=O)CN1CC[C@@H]([NH2+][C@@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)C1=O ZINC001473366538 1068073734 /nfs/dbraw/zinc/07/37/34/1068073734.db2.gz UWCKZSKIXRRBPB-CABCVRRESA-N 1 1 454.411 4.231 20 0 JIADMO COc1ccc(OCc2nnc(N3CCC[C@H]3C(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300284699 1068081404 /nfs/dbraw/zinc/08/14/04/1068081404.db2.gz LFJKTPDUTIWQSF-IMSXRSKXSA-N 1 1 485.673 4.378 20 0 JIADMO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001358449332 1068094337 /nfs/dbraw/zinc/09/43/37/1068094337.db2.gz KTANHRHGYCKASU-CCDWMCETSA-N 1 1 480.653 4.353 20 0 JIADMO Cc1ccc(CN2C[C@@H](C(=O)NC[C@H]3CCCC[N@@H+]3Cc3cccc(Cl)c3)CC2=O)cc1 ZINC001358478458 1068099981 /nfs/dbraw/zinc/09/99/81/1068099981.db2.gz FLXGKRKNGPYPSU-LADGPHEKSA-N 1 1 454.014 4.168 20 0 JIADMO Cc1ccc(CN2C[C@@H](C(=O)NC[C@H]3CCCC[N@H+]3Cc3cccc(Cl)c3)CC2=O)cc1 ZINC001358478458 1068100000 /nfs/dbraw/zinc/10/00/00/1068100000.db2.gz FLXGKRKNGPYPSU-LADGPHEKSA-N 1 1 454.014 4.168 20 0 JIADMO COc1ccc(OCc2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001300304260 1068155102 /nfs/dbraw/zinc/15/51/02/1068155102.db2.gz GYEBDRQIJVRYJF-KDURUIRLSA-N 1 1 465.589 4.324 20 0 JIADMO COc1ccc2c(c1)CCC[C@@H]2Cn1c(CC(C)C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300317588 1068217925 /nfs/dbraw/zinc/21/79/25/1068217925.db2.gz BEMBAWKBVLFHOB-FUPPJEDESA-N 1 1 469.674 4.151 20 0 JIADMO COc1ccc2c(c1)CCC[C@@H]2Cn1c(CC(C)C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300317588 1068217978 /nfs/dbraw/zinc/21/79/78/1068217978.db2.gz BEMBAWKBVLFHOB-FUPPJEDESA-N 1 1 469.674 4.151 20 0 JIADMO C[C@@H]1CN(c2ccc(NC(=O)C[NH+]3CCC(Cc4cccc(F)c4F)CC3)cc2)C[C@H](C)O1 ZINC001473544358 1068232736 /nfs/dbraw/zinc/23/27/36/1068232736.db2.gz SCPYKFMHJWRHKF-KDURUIRLSA-N 1 1 457.565 4.472 20 0 JIADMO COc1ccc(-c2nc(NC(=O)CN3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)sc2C)cc1 ZINC001473548379 1068242082 /nfs/dbraw/zinc/24/20/82/1068242082.db2.gz WWNQXCDPSGTUCV-GOSISDBHSA-N 1 1 450.608 4.272 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001200365253 1068255507 /nfs/dbraw/zinc/25/55/07/1068255507.db2.gz ZRIQMALMGUGZGB-AWEZNQCLSA-N 1 1 450.370 4.493 20 0 JIADMO COc1cccc(C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC001300329394 1068265809 /nfs/dbraw/zinc/26/58/09/1068265809.db2.gz AAXATVKZTBZWLO-OAQYLSRUSA-N 1 1 469.674 4.012 20 0 JIADMO COCCSCCC[N@H+]1CCOC[C@@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001473822700 1068285838 /nfs/dbraw/zinc/28/58/38/1068285838.db2.gz KMWONEKLMZVGNY-UXHICEINSA-N 1 1 450.645 4.386 20 0 JIADMO CCN1CC[NH+](Cc2ccccc2CNc2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000613459995 1068289016 /nfs/dbraw/zinc/28/90/16/1068289016.db2.gz BNOFYZBXSVCVEV-UHFFFAOYSA-N 1 1 450.587 4.347 20 0 JIADMO CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001353545680 1068312746 /nfs/dbraw/zinc/31/27/46/1068312746.db2.gz ALAAYQZEGUVDEE-UXHICEINSA-N 1 1 457.640 4.068 20 0 JIADMO C[C@@H](CNC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001353590586 1068355067 /nfs/dbraw/zinc/35/50/67/1068355067.db2.gz FKGDEWZDHURGCK-XAXKJMDRSA-N 1 1 451.611 4.248 20 0 JIADMO CCOc1ccccc1OCCCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001353733682 1068524435 /nfs/dbraw/zinc/52/44/35/1068524435.db2.gz AIEFYZFSALLOSM-QFIPXVFZSA-N 1 1 453.583 4.049 20 0 JIADMO 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 1068565826 /nfs/dbraw/zinc/56/58/26/1068565826.db2.gz YQODYYIUMMHDEH-HWBMXIPRSA-N 1 1 496.700 4.380 20 0 JIADMO 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 1068565961 /nfs/dbraw/zinc/56/59/61/1068565961.db2.gz YQODYYIUMMHDEH-RQTOMXEWSA-N 1 1 496.700 4.380 20 0 JIADMO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(CC(C)C)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001300405244 1068567139 /nfs/dbraw/zinc/56/71/39/1068567139.db2.gz ZUODNFQPMSEXAR-OFNKIYASSA-N 1 1 455.647 4.184 20 0 JIADMO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(CC(C)C)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001300405244 1068567162 /nfs/dbraw/zinc/56/71/62/1068567162.db2.gz ZUODNFQPMSEXAR-OFNKIYASSA-N 1 1 455.647 4.184 20 0 JIADMO COc1cccc(C=C2CCN(c3nnc(C(C)C)n3CCN3CC[N@@H+](C)C(C)(C)C3)CC2)c1 ZINC001300406193 1068569740 /nfs/dbraw/zinc/56/97/40/1068569740.db2.gz BIDSRLVBOICIAA-UHFFFAOYSA-N 1 1 466.674 4.120 20 0 JIADMO COc1cccc(C=C2CCN(c3nnc(C(C)C)n3CC[N@@H+]3CCN(C)C(C)(C)C3)CC2)c1 ZINC001300406193 1068569753 /nfs/dbraw/zinc/56/97/53/1068569753.db2.gz BIDSRLVBOICIAA-UHFFFAOYSA-N 1 1 466.674 4.120 20 0 JIADMO COc1cccc(C=C2CCN(c3nnc(C(C)C)n3CC[N@H+]3CCN(C)C(C)(C)C3)CC2)c1 ZINC001300406193 1068569772 /nfs/dbraw/zinc/56/97/72/1068569772.db2.gz BIDSRLVBOICIAA-UHFFFAOYSA-N 1 1 466.674 4.120 20 0 JIADMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)C2(Cc3cccc(Cl)c3)CC2)ccc1F ZINC001353827514 1068632854 /nfs/dbraw/zinc/63/28/54/1068632854.db2.gz DRGKBSJINUJCFG-UHFFFAOYSA-N 1 1 459.949 4.101 20 0 JIADMO C[C@H]1C[C@@H](N(C)C(=O)CSc2nnc(-c3ccc(F)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC001353844565 1068655434 /nfs/dbraw/zinc/65/54/34/1068655434.db2.gz IWVJXJBMDAUAJA-UWJYYQICSA-N 1 1 454.571 4.479 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC001353844679 1068655880 /nfs/dbraw/zinc/65/58/80/1068655880.db2.gz HWGTTWPCHAVJIW-QGZVFWFLSA-N 1 1 454.621 4.122 20 0 JIADMO C[C@H](CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001300436697 1068700169 /nfs/dbraw/zinc/70/01/69/1068700169.db2.gz XDZSTAPXVQSRNS-NHTMILBNSA-N 1 1 457.659 4.435 20 0 JIADMO COc1cccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)c1 ZINC001300442852 1068725400 /nfs/dbraw/zinc/72/54/00/1068725400.db2.gz SQGPUJKTQNOTRS-QFIPXVFZSA-N 1 1 454.663 4.031 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC3CCCC3)CC2)c1 ZINC001300451054 1068756739 /nfs/dbraw/zinc/75/67/39/1068756739.db2.gz JTCAYEFDOCBKFQ-UHFFFAOYSA-N 1 1 455.647 4.267 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(CC(C)C)n3CC3(C)CCCC3)CC2)c1 ZINC001300452101 1068760527 /nfs/dbraw/zinc/76/05/27/1068760527.db2.gz RCJWTCSMDNLBCH-UHFFFAOYSA-N 1 1 455.647 4.267 20 0 JIADMO COc1ccccc1[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)OC(C)C ZINC001300455885 1068773916 /nfs/dbraw/zinc/77/39/16/1068773916.db2.gz CYPOODODUZRPPD-DHLKQENFSA-N 1 1 499.700 4.200 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@H]1CC=CCC1 ZINC001300467150 1068806967 /nfs/dbraw/zinc/80/69/67/1068806967.db2.gz XTMDFYGEXYKZNF-NRFANRHFSA-N 1 1 453.631 4.105 20 0 JIADMO CCn1cc(Br)c(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC001353991836 1068821656 /nfs/dbraw/zinc/82/16/56/1068821656.db2.gz DXMLKPIQRFEWDG-UHFFFAOYSA-N 1 1 459.310 4.032 20 0 JIADMO CCn1cc(Br)c(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC001353991836 1068821661 /nfs/dbraw/zinc/82/16/61/1068821661.db2.gz DXMLKPIQRFEWDG-UHFFFAOYSA-N 1 1 459.310 4.032 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001492567293 1068832293 /nfs/dbraw/zinc/83/22/93/1068832293.db2.gz BPBBTUPQGBPNLZ-UHFFFAOYSA-N 1 1 453.660 4.371 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001492568050 1068840149 /nfs/dbraw/zinc/84/01/49/1068840149.db2.gz QCTGFXFGPHOOIH-NRFANRHFSA-N 1 1 470.662 4.429 20 0 JIADMO COc1cc(NC(=S)N2CCOC[C@@]3(CC[N@H+](Cc4csc(C)n4)C3)C2)c(OC)cc1Cl ZINC001200535818 1068848635 /nfs/dbraw/zinc/84/86/35/1068848635.db2.gz VMGSUWRSMXPPJK-JOCHJYFZSA-N 1 1 497.086 4.043 20 0 JIADMO COc1cc(NC(=S)N2CCOC[C@@]3(CC[N@@H+](Cc4csc(C)n4)C3)C2)c(OC)cc1Cl ZINC001200535818 1068848637 /nfs/dbraw/zinc/84/86/37/1068848637.db2.gz VMGSUWRSMXPPJK-JOCHJYFZSA-N 1 1 497.086 4.043 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001300494150 1068861888 /nfs/dbraw/zinc/86/18/88/1068861888.db2.gz LGKKXZUCMRKLMV-OALUTQOASA-N 1 1 481.563 4.233 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001300494148 1068861978 /nfs/dbraw/zinc/86/19/78/1068861978.db2.gz LGKKXZUCMRKLMV-MOPGFXCFSA-N 1 1 481.563 4.233 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CCC[N@@H+](C)C(C)C ZINC001300500134 1068868970 /nfs/dbraw/zinc/86/89/70/1068868970.db2.gz YPBGSKDLRCXJFR-NRFANRHFSA-N 1 1 484.689 4.063 20 0 JIADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC001200550326 1068871130 /nfs/dbraw/zinc/87/11/30/1068871130.db2.gz YWKFPVLQHIHQCB-UHFFFAOYSA-N 1 1 457.880 4.435 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001300505365 1068876580 /nfs/dbraw/zinc/87/65/80/1068876580.db2.gz FGNNSULYFODOAK-AREMUKBSSA-N 1 1 455.647 4.206 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](SC)C(C)(C)C ZINC001300505348 1068876638 /nfs/dbraw/zinc/87/66/38/1068876638.db2.gz DWJZVGBCOXYHCP-HSZRJFAPSA-N 1 1 497.713 4.177 20 0 JIADMO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)CC[N@H+]1C ZINC001354116818 1068907397 /nfs/dbraw/zinc/90/73/97/1068907397.db2.gz IZJVEKNQIGBVQH-KKSFZXQISA-N 1 1 458.400 4.185 20 0 JIADMO COc1ccccc1[C@@H]1CCN(c2nnc(CC(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001300523723 1068921348 /nfs/dbraw/zinc/92/13/48/1068921348.db2.gz AXLOJQSKAUKWBI-BHIFYINESA-N 1 1 469.674 4.367 20 0 JIADMO COc1ccccc1C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001300533209 1068949184 /nfs/dbraw/zinc/94/91/84/1068949184.db2.gz VVPRFNVMBAUPSQ-VQTJNVASSA-N 1 1 482.698 4.442 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)C[C@@H]2CCCOC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300539440 1068966637 /nfs/dbraw/zinc/96/66/37/1068966637.db2.gz GDLQQKCULPEATB-YADHBBJMSA-N 1 1 469.674 4.251 20 0 JIADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCCCOC(C)C)CC1 ZINC001492569311 1068969483 /nfs/dbraw/zinc/96/94/83/1068969483.db2.gz SLVQNDBYDYUAMW-UHFFFAOYSA-N 1 1 479.673 4.131 20 0 JIADMO Cc1ccc(I)c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC001354210791 1068981414 /nfs/dbraw/zinc/98/14/14/1068981414.db2.gz UPVLRMIFENUZCX-KSSFIOAISA-N 1 1 454.377 4.474 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC(C)(C)C(C)C ZINC001492585794 1068999058 /nfs/dbraw/zinc/99/90/58/1068999058.db2.gz PEBZLXRBHRDXRA-UHFFFAOYSA-N 1 1 463.674 4.305 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC(C)C ZINC001300556372 1069012510 /nfs/dbraw/zinc/01/25/10/1069012510.db2.gz NVQJVTULSUULIC-SZPZYZBQSA-N 1 1 469.674 4.249 20 0 JIADMO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001492571735 1069019202 /nfs/dbraw/zinc/01/92/02/1069019202.db2.gz IOBSCNFTWGKDBA-YADHBBJMSA-N 1 1 482.673 4.477 20 0 JIADMO Cc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001492571734 1069019529 /nfs/dbraw/zinc/01/95/29/1069019529.db2.gz IOBSCNFTWGKDBA-VXKWHMMOSA-N 1 1 482.673 4.477 20 0 JIADMO Cc1ccccc1-c1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C(C)C ZINC001492572251 1069027507 /nfs/dbraw/zinc/02/75/07/1069027507.db2.gz XQZRYOMHPIIQCU-XZOQPEGZSA-N 1 1 482.673 4.333 20 0 JIADMO Cc1ccccc1[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001492572822 1069046618 /nfs/dbraw/zinc/04/66/18/1069046618.db2.gz JAKZGFTUXNAMMV-ISKFKSNPSA-N 1 1 480.701 4.112 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(c3nc4ccccc4s3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849482821 1069051777 /nfs/dbraw/zinc/05/17/77/1069051777.db2.gz TVRLXJFWLWHEOA-NHCUHLMSSA-N 1 1 451.640 4.250 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)cn1 ZINC000849486816 1069052940 /nfs/dbraw/zinc/05/29/40/1069052940.db2.gz BIXSOTCQUQQFEV-GOTSBHOMSA-N 1 1 483.410 4.436 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)[C@H](c2cnn(C)c2)C1 ZINC000849488508 1069056643 /nfs/dbraw/zinc/05/66/43/1069056643.db2.gz CLSUMPLPCZDQSA-UXHICEINSA-N 1 1 452.628 4.083 20 0 JIADMO 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 1069056709 /nfs/dbraw/zinc/05/67/09/1069056709.db2.gz CYFZZLQLPUQTKR-JTAQYXEDSA-N 1 1 496.537 4.256 20 0 JIADMO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cn1 ZINC000849488634 1069056718 /nfs/dbraw/zinc/05/67/18/1069056718.db2.gz CYFZZLQLPUQTKR-JTAQYXEDSA-N 1 1 496.537 4.256 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cn1 ZINC000849488634 1069056729 /nfs/dbraw/zinc/05/67/29/1069056729.db2.gz CYFZZLQLPUQTKR-JTAQYXEDSA-N 1 1 496.537 4.256 20 0 JIADMO Cc1ccn2cc(-c3ccc(NC(=O)[C@H]4CC[N@H+](C(C)C)C[C@H]4c4cnn(C)c4)cc3)nc2c1 ZINC000849489936 1069057476 /nfs/dbraw/zinc/05/74/76/1069057476.db2.gz IEPFWYXCVBEPFM-ZEQRLZLVSA-N 1 1 456.594 4.496 20 0 JIADMO Cc1nc(-c2ccc(CCNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)s2)cs1 ZINC000849490973 1069057654 /nfs/dbraw/zinc/05/76/54/1069057654.db2.gz XFFGTNGMXZHQGK-PMACEKPBSA-N 1 1 457.669 4.086 20 0 JIADMO Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849492398 1069058537 /nfs/dbraw/zinc/05/85/37/1069058537.db2.gz FAZGJGHCFOUQLQ-DHIUTWEWSA-N 1 1 475.641 4.166 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCCCCCC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300566880 1069058629 /nfs/dbraw/zinc/05/86/29/1069058629.db2.gz FZOVCEKDOXXYIA-HSZRJFAPSA-N 1 1 455.647 4.005 20 0 JIADMO COc1ccc(-c2csc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)cc1OC ZINC000849491869 1069060460 /nfs/dbraw/zinc/06/04/60/1069060460.db2.gz UYNBSCNUHYLYSZ-MOPGFXCFSA-N 1 1 469.611 4.013 20 0 JIADMO 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 1069062719 /nfs/dbraw/zinc/06/27/19/1069062719.db2.gz XDEHCTMINXAMIP-ICSRJNTNSA-N 1 1 484.601 4.094 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@H]2C)OCCO4)[C@H](c2cnn(C)c2)C1 ZINC000849492601 1069062835 /nfs/dbraw/zinc/06/28/35/1069062835.db2.gz SFFFXANDUANYRT-SFLYRZDNSA-N 1 1 492.664 4.420 20 0 JIADMO Cc1cc(C)nc(Sc2ccc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)n1 ZINC000849494298 1069063699 /nfs/dbraw/zinc/06/36/99/1069063699.db2.gz SNWFFOXJOAFQSC-GOTSBHOMSA-N 1 1 464.639 4.431 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849493473 1069063735 /nfs/dbraw/zinc/06/37/35/1069063735.db2.gz KFCAIBRYQCGJBL-RTBURBONSA-N 1 1 474.631 4.156 20 0 JIADMO Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849494308 1069063772 /nfs/dbraw/zinc/06/37/72/1069063772.db2.gz SPBICADWPOJCPG-ZCYQVOJMSA-N 1 1 473.621 4.111 20 0 JIADMO Cc1cc(C)nc(Sc2ccc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)n1 ZINC000849494300 1069063793 /nfs/dbraw/zinc/06/37/93/1069063793.db2.gz SNWFFOXJOAFQSC-XZOQPEGZSA-N 1 1 464.639 4.431 20 0 JIADMO 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 1069065787 /nfs/dbraw/zinc/06/57/87/1069065787.db2.gz ANLURWHLHVIMQB-BDTNDASRSA-N 1 1 492.451 4.171 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849499022 1069070524 /nfs/dbraw/zinc/07/05/24/1069070524.db2.gz CIIKLEMLFOKOCT-GNKBHMEESA-N 1 1 488.611 4.281 20 0 JIADMO CCOC(=O)c1cc2cc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)ccc2s1 ZINC000849500198 1069072058 /nfs/dbraw/zinc/07/20/58/1069072058.db2.gz XGNLXYZETGGVII-UXHICEINSA-N 1 1 454.596 4.264 20 0 JIADMO COc1ccc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1NC(=O)c1cccc(F)c1 ZINC000849501311 1069072991 /nfs/dbraw/zinc/07/29/91/1069072991.db2.gz UPMOPXOLRNNTMP-PKTZIBPZSA-N 1 1 493.583 4.273 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cccc(COCc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849501536 1069074052 /nfs/dbraw/zinc/07/40/52/1069074052.db2.gz WBZVAXAAIUNUHI-SXOMAYOGSA-N 1 1 460.622 4.267 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849502243 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1069092665 /nfs/dbraw/zinc/09/26/65/1069092665.db2.gz MCUPZYNDFOIPJP-FGZHOGPDSA-N 1 1 474.584 4.479 20 0 JIADMO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)[C@@H](c2cnn(C)c2)C1 ZINC000849509631 1069092684 /nfs/dbraw/zinc/09/26/84/1069092684.db2.gz MCUPZYNDFOIPJP-FGZHOGPDSA-N 1 1 474.584 4.479 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)[C@@H](c2cnn(C)c2)C1 ZINC000849509631 1069092699 /nfs/dbraw/zinc/09/26/99/1069092699.db2.gz MCUPZYNDFOIPJP-FGZHOGPDSA-N 1 1 474.584 4.479 20 0 JIADMO COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849512212 1069095345 /nfs/dbraw/zinc/09/53/45/1069095345.db2.gz BIJFNJDFTNQVGG-BYXVTNLJSA-N 1 1 460.622 4.124 20 0 JIADMO 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 1069097033 /nfs/dbraw/zinc/09/70/33/1069097033.db2.gz OEYUYJSMPJODLH-CDNPAEQRSA-N 1 1 480.575 4.489 20 0 JIADMO Cc1cccc(-c2cc(NC(=O)[C@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)n(Cc3ccccc3)n2)c1 ZINC000849516997 1069103348 /nfs/dbraw/zinc/10/33/48/1069103348.db2.gz LZCOTWDRSRYYOL-LOSJGSFVSA-N 1 1 468.605 4.314 20 0 JIADMO COc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cc1OCc1ccc2ccccc2n1 ZINC000849518341 1069105023 /nfs/dbraw/zinc/10/50/23/1069105023.db2.gz GRBLSQVTMVUGPK-ZEQRLZLVSA-N 1 1 485.588 4.230 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)[C@H](c2cnn(C)c2)C1 ZINC000849517633 1069107297 /nfs/dbraw/zinc/10/72/97/1069107297.db2.gz MEHWJMFJBMBNPP-DQEYMECFSA-N 1 1 471.605 4.076 20 0 JIADMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000849519345 1069108904 /nfs/dbraw/zinc/10/89/04/1069108904.db2.gz JBDOMEOIFJALLY-PISWEHOVSA-N 1 1 450.558 4.051 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518622 1069109914 /nfs/dbraw/zinc/10/99/14/1069109914.db2.gz OGPCEXJSIVPGEA-RPBOFIJWSA-N 1 1 471.605 4.076 20 0 JIADMO Cc1c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cccc1C(=O)Nc1ccccc1 ZINC000849520093 1069112001 /nfs/dbraw/zinc/11/20/01/1069112001.db2.gz VPFRDDQRQUWIHO-ZEQRLZLVSA-N 1 1 459.594 4.433 20 0 JIADMO Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849519575 1069112563 /nfs/dbraw/zinc/11/25/63/1069112563.db2.gz KIAGFXSRVPNMIF-DSNGMDLFSA-N 1 1 460.626 4.303 20 0 JIADMO Cc1ccc(-c2cc(NC(=O)[C@@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)n(-c3ccccc3)n2)cc1 ZINC000849519548 1069112927 /nfs/dbraw/zinc/11/29/27/1069112927.db2.gz VGDPXMKRYKTXOB-DNQXCXABSA-N 1 1 454.578 4.255 20 0 JIADMO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849522896 1069115831 /nfs/dbraw/zinc/11/58/31/1069115831.db2.gz PWEAMIHLXRHJBS-PNHOKKKMSA-N 1 1 458.031 4.418 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849524755 1069119261 /nfs/dbraw/zinc/11/92/61/1069119261.db2.gz KFGHQJIPGOJYIM-DSITVLBTSA-N 1 1 472.077 4.058 20 0 JIADMO COc1ccccc1CCN(C)c1nnc(C2CCCC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001300583078 1069125401 /nfs/dbraw/zinc/12/54/01/1069125401.db2.gz OFQUASFGEOWLBV-NRFANRHFSA-N 1 1 455.647 4.124 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849526677 1069125866 /nfs/dbraw/zinc/12/58/66/1069125866.db2.gz SQXBXODIPCZBFP-TYCQWZJGSA-N 1 1 479.488 4.294 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)[C@@H](c2cnn(C)c2)C1 ZINC000849535545 1069156168 /nfs/dbraw/zinc/15/61/68/1069156168.db2.gz UNHSIRJJSMVWIB-FGZHOGPDSA-N 1 1 475.622 4.182 20 0 JIADMO CC(C)Cn1cc([C@H]2N(C(=O)[C@@H]3CCC[N@@H+](CCc4ccccc4)C3)CC23CCOCC3)cn1 ZINC000849543386 1069174247 /nfs/dbraw/zinc/17/42/47/1069174247.db2.gz RBCHDIJIOSBHIE-AOYPEHQESA-N 1 1 464.654 4.174 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cn1 ZINC000849547152 1069182908 /nfs/dbraw/zinc/18/29/08/1069182908.db2.gz FRXSPDDXFFUAMV-ZWKOTPCHSA-N 1 1 487.391 4.048 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cn1 ZINC000849546878 1069185037 /nfs/dbraw/zinc/18/50/37/1069185037.db2.gz DEESGZAAZABJJB-MSOLQXFVSA-N 1 1 477.462 4.439 20 0 JIADMO CCCCOCCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849548251 1069185918 /nfs/dbraw/zinc/18/59/18/1069185918.db2.gz LNLTWOKEZDEANM-FGZHOGPDSA-N 1 1 477.447 4.068 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(C)CCOc2ccc(OCc3ccccc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849546624 1069186273 /nfs/dbraw/zinc/18/62/73/1069186273.db2.gz CQGLJBPGDHSDAV-IZLXSDGUSA-N 1 1 490.648 4.350 20 0 JIADMO COc1cccc(-n2c3ccccc3nc2NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849551303 1069190549 /nfs/dbraw/zinc/19/05/49/1069190549.db2.gz AIYUXZBJJAVQHN-PKTZIBPZSA-N 1 1 472.593 4.220 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)c(C)c1 ZINC000849552488 1069192532 /nfs/dbraw/zinc/19/25/32/1069192532.db2.gz IUHLNRWJAAJVNI-RSEQLOHWSA-N 1 1 467.013 4.332 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)cn1 ZINC000849551918 1069193448 /nfs/dbraw/zinc/19/34/48/1069193448.db2.gz GXFMCKTXPDIQCF-LEWJYISDSA-N 1 1 481.000 4.069 20 0 JIADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Nc2ccc(COCc3ccccc3)cc2)CC1 ZINC001200657589 1069193992 /nfs/dbraw/zinc/19/39/92/1069193992.db2.gz PPGRTXOCFPCKON-ZRZAMGCNSA-N 1 1 450.627 4.426 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@](C)(Cc2cccc(Br)c2)c2ccccc2)cn1 ZINC000849553329 1069194391 /nfs/dbraw/zinc/19/43/91/1069194391.db2.gz IXTOKRSRBVYBTM-GSLIJJQTSA-N 1 1 495.465 4.492 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c2ccccc2Cl)cc1 ZINC000849555503 1069199868 /nfs/dbraw/zinc/19/98/68/1069199868.db2.gz ZHCAUIOCJRGEIK-BKULYWANSA-N 1 1 452.986 4.023 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849554894 1069200472 /nfs/dbraw/zinc/20/04/72/1069200472.db2.gz WQNNQEYWPAGENC-PKTZIBPZSA-N 1 1 499.457 4.074 20 0 JIADMO 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 1069204302 /nfs/dbraw/zinc/20/43/02/1069204302.db2.gz MXLSAHNLJSTTHZ-RCXJIHSJSA-N 1 1 499.659 4.450 20 0 JIADMO Cc1ccc(NC(=O)C2(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CCCC2)cc1C ZINC000849557736 1069205286 /nfs/dbraw/zinc/20/52/86/1069205286.db2.gz ITFVXJZEFGEYNT-LOSJGSFVSA-N 1 1 479.669 4.166 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCOc3cc(Br)c(Cl)cc32)[C@H](c2cnn(C)c2)C1 ZINC000849559691 1069208874 /nfs/dbraw/zinc/20/88/74/1069208874.db2.gz VYEOZLLVFJGTEU-HOTGVXAUSA-N 1 1 481.822 4.076 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(I)ccc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849563691 1069212518 /nfs/dbraw/zinc/21/25/18/1069212518.db2.gz RUJMQEWGXRGUJV-HZPDHXFCSA-N 1 1 486.785 4.131 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(Br)ccc2N2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849565443 1069213965 /nfs/dbraw/zinc/21/39/65/1069213965.db2.gz VUKNLMFZEQRAQD-UXHICEINSA-N 1 1 474.447 4.235 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC(C)(C)c2ccccc2Br)[C@H](c2cnn(C)c2)C1 ZINC000849564786 1069214261 /nfs/dbraw/zinc/21/42/61/1069214261.db2.gz RCFHIJKDMZJVFI-MOPGFXCFSA-N 1 1 461.448 4.091 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(Br)ccc2N2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849565442 1069214661 /nfs/dbraw/zinc/21/46/61/1069214661.db2.gz VUKNLMFZEQRAQD-PMACEKPBSA-N 1 1 474.447 4.235 20 0 JIADMO COc1ccccc1CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001300610519 1069215293 /nfs/dbraw/zinc/21/52/93/1069215293.db2.gz PKYJINCIUKBFOQ-JOCHJYFZSA-N 1 1 468.690 4.027 20 0 JIADMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000849566050 1069216930 /nfs/dbraw/zinc/21/69/30/1069216930.db2.gz YFCRTDFYOSFIHB-KYNGSXCRSA-N 1 1 488.455 4.219 20 0 JIADMO Fc1cc(F)cc(NC(=S)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001200664432 1069217972 /nfs/dbraw/zinc/21/79/72/1069217972.db2.gz QJUKYJSTQTXIPF-NBGIEHNGSA-N 1 1 472.605 4.307 20 0 JIADMO COc1cccc(Cn2ccc3ccc(NC(=O)[C@@H]4CC[N@@H+](C)C[C@H]4c4cnn(C)c4)cc32)c1 ZINC000849566873 1069218505 /nfs/dbraw/zinc/21/85/05/1069218505.db2.gz FBTOEQCAERLATG-RPBOFIJWSA-N 1 1 457.578 4.106 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849568950 1069220182 /nfs/dbraw/zinc/22/01/82/1069220182.db2.gz QRCHQZAFVVJQSR-NSOVKSMOSA-N 1 1 483.660 4.148 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)[C@H](c2cnn(C)c2)C1 ZINC000849569439 1069220435 /nfs/dbraw/zinc/22/04/35/1069220435.db2.gz UCWOZBWDHPHQTL-YADHBBJMSA-N 1 1 472.058 4.370 20 0 JIADMO COc1ccc(CN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000849570791 1069221875 /nfs/dbraw/zinc/22/18/75/1069221875.db2.gz DHPMBNYCPLSUIC-GDKQOWJMSA-N 1 1 468.642 4.080 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)cn1 ZINC000849569681 1069222047 /nfs/dbraw/zinc/22/20/47/1069222047.db2.gz VPGIMNTWPIGKIV-SFTDATJTSA-N 1 1 476.968 4.483 20 0 JIADMO 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 1069222588 /nfs/dbraw/zinc/22/25/88/1069222588.db2.gz OCSGDZKLMYCVCK-HOTGVXAUSA-N 1 1 484.473 4.403 20 0 JIADMO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)[C@H](c2cnn(C)c2)C1 ZINC000849572327 1069222598 /nfs/dbraw/zinc/22/25/98/1069222598.db2.gz OCSGDZKLMYCVCK-HOTGVXAUSA-N 1 1 484.473 4.403 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)[C@H](c2cnn(C)c2)C1 ZINC000849572327 1069222613 /nfs/dbraw/zinc/22/26/13/1069222613.db2.gz OCSGDZKLMYCVCK-HOTGVXAUSA-N 1 1 484.473 4.403 20 0 JIADMO 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 1069223058 /nfs/dbraw/zinc/22/30/58/1069223058.db2.gz OCSGDZKLMYCVCK-CVEARBPZSA-N 1 1 484.473 4.403 20 0 JIADMO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)[C@H](c2cnn(C)c2)C1 ZINC000849572325 1069223063 /nfs/dbraw/zinc/22/30/63/1069223063.db2.gz OCSGDZKLMYCVCK-CVEARBPZSA-N 1 1 484.473 4.403 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)[C@H](c2cnn(C)c2)C1 ZINC000849572325 1069223076 /nfs/dbraw/zinc/22/30/76/1069223076.db2.gz OCSGDZKLMYCVCK-CVEARBPZSA-N 1 1 484.473 4.403 20 0 JIADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001354443661 1069224425 /nfs/dbraw/zinc/22/44/25/1069224425.db2.gz FZRQZTZRDFHJOL-RCZVLFRGSA-N 1 1 451.586 4.095 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849576122 1069229359 /nfs/dbraw/zinc/22/93/59/1069229359.db2.gz GVBOFPMNEKKXFY-HUUCEWRRSA-N 1 1 462.982 4.184 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)cn1 ZINC000849579202 1069230750 /nfs/dbraw/zinc/23/07/50/1069230750.db2.gz WCPVGVYKJJMBKR-FGZHOGPDSA-N 1 1 485.032 4.078 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3ccccc3Br)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849581331 1069231448 /nfs/dbraw/zinc/23/14/48/1069231448.db2.gz GOVVRPIJJBAXGX-VXKWHMMOSA-N 1 1 473.459 4.403 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2nc(CC34CC5CC(CC(C5)C3)C4)cs2)cn1 ZINC000849581378 1069231804 /nfs/dbraw/zinc/23/18/04/1069231804.db2.gz GSHXITFAILTLAR-DASLBBPJSA-N 1 1 453.656 4.310 20 0 JIADMO 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 1069232543 /nfs/dbraw/zinc/23/25/43/1069232543.db2.gz CGIVYTAXJSMKSS-RTWAWAEBSA-N 1 1 466.523 4.240 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)[C@H](c2cnn(C)c2)C1 ZINC000849583127 1069233931 /nfs/dbraw/zinc/23/39/31/1069233931.db2.gz RJCWTSLDKJLLOU-FKBYEOEOSA-N 1 1 464.639 4.192 20 0 JIADMO CCc1c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cnn1-c1ccc(Cl)cc1 ZINC000849582702 1069233981 /nfs/dbraw/zinc/23/39/81/1069233981.db2.gz ONGVHUZBZUVVPK-NHCUHLMSSA-N 1 1 455.006 4.274 20 0 JIADMO CC(C)C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849586218 1069236234 /nfs/dbraw/zinc/23/62/34/1069236234.db2.gz OJDWOHFVRQKSCR-GIWBLDEGSA-N 1 1 461.448 4.296 20 0 JIADMO CCCC[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849587870 1069239912 /nfs/dbraw/zinc/23/99/12/1069239912.db2.gz VSPQJOXISBFTLH-FUDKSRODSA-N 1 1 461.448 4.440 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849589411 1069241320 /nfs/dbraw/zinc/24/13/20/1069241320.db2.gz RCTXWZBCIGUABP-XPWALMASSA-N 1 1 488.474 4.100 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849594133 1069246173 /nfs/dbraw/zinc/24/61/73/1069246173.db2.gz SZMGRTSUIYWSOH-URXFXBBRSA-N 1 1 451.590 4.261 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2nc3ccc(Cl)cc3n2Cc2ccccc2)cn1 ZINC000849595840 1069250808 /nfs/dbraw/zinc/25/08/08/1069250808.db2.gz JICKYDOYZBOWFW-SFTDATJTSA-N 1 1 462.985 4.146 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc3ccc(Cl)cc3n2Cc2ccccc2)cn1 ZINC000849595838 1069251066 /nfs/dbraw/zinc/25/10/66/1069251066.db2.gz JICKYDOYZBOWFW-NHCUHLMSSA-N 1 1 462.985 4.146 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849598496 1069253340 /nfs/dbraw/zinc/25/33/40/1069253340.db2.gz ZZVGBNACGFJYPY-RBUKOAKNSA-N 1 1 493.877 4.498 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCc2ccc(Br)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849598478 1069253365 /nfs/dbraw/zinc/25/33/65/1069253365.db2.gz ZYQJVRYRQJRECB-MOPGFXCFSA-N 1 1 467.839 4.009 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)cn1 ZINC000849599327 1069254976 /nfs/dbraw/zinc/25/49/76/1069254976.db2.gz AQMIZPQUGZXAIF-QNWVGRARSA-N 1 1 459.619 4.165 20 0 JIADMO CC[C@H](C)n1c2ccc(NC(=O)[C@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)cc2nc1C(F)(F)F ZINC000849599099 1069255435 /nfs/dbraw/zinc/25/54/35/1069255435.db2.gz KQTDMVGOCBDXOG-WBAXXEDZSA-N 1 1 462.520 4.434 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849601446 1069256989 /nfs/dbraw/zinc/25/69/89/1069256989.db2.gz VQOGRQINIDPFHF-PKTZIBPZSA-N 1 1 461.025 4.461 20 0 JIADMO CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849603151 1069258925 /nfs/dbraw/zinc/25/89/25/1069258925.db2.gz CKRGNSZZARXBBL-FGZHOGPDSA-N 1 1 450.549 4.344 20 0 JIADMO 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 1069263151 /nfs/dbraw/zinc/26/31/51/1069263151.db2.gz QMUDJXQSNWISAY-HZUJVAHNSA-N 1 1 465.495 4.274 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC(C)(C)c3ccc(Br)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849610726 1069271434 /nfs/dbraw/zinc/27/14/34/1069271434.db2.gz NHUDQGJDEGZPHE-RBUKOAKNSA-N 1 1 459.432 4.321 20 0 JIADMO O=C1Nc2ccccc2[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]12 ZINC001164401478 718858006 /nfs/dbraw/zinc/85/80/06/718858006.db2.gz FENHXXMCHKYJBS-RBUKOAKNSA-N 1 1 459.619 4.338 20 0 JIADMO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625226 719076545 /nfs/dbraw/zinc/07/65/45/719076545.db2.gz NACHKPUZDHRSEH-AQNXPRMDSA-N 1 1 452.990 4.280 20 0 JIADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164630114 719089999 /nfs/dbraw/zinc/08/99/99/719089999.db2.gz VLBLTVOCMLJDKX-NZQKXSOJSA-N 1 1 466.626 4.458 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)n1 ZINC001164690946 719775532 /nfs/dbraw/zinc/77/55/32/719775532.db2.gz JCGDSWQNUOXVIW-FGZHOGPDSA-N 1 1 484.629 4.195 20 0 JIADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c21 ZINC001164691865 719803190 /nfs/dbraw/zinc/80/31/90/719803190.db2.gz LDXNZDDUDGOUCR-UHFFFAOYSA-N 1 1 490.633 4.459 20 0 JIADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C(=O)N4CCC[C@@H](C)C4)cn2)CC3)cs1 ZINC001164693426 719813101 /nfs/dbraw/zinc/81/31/01/719813101.db2.gz UWKAMRAGWHZNBO-LJQANCHMSA-N 1 1 453.656 4.354 20 0 JIADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccs2)nc2sc(C)c(C)c21 ZINC001164701241 719868820 /nfs/dbraw/zinc/86/88/20/719868820.db2.gz GIBWPJDFGSIKQF-OSPHWJPCSA-N 1 1 486.663 4.269 20 0 JIADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164695717 719889834 /nfs/dbraw/zinc/88/98/34/719889834.db2.gz SJDKIPGFPDVORK-UHFFFAOYSA-N 1 1 495.052 4.461 20 0 JIADMO CCOC(Cc1c(Cl)ncnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2)OCC ZINC001164696658 719892975 /nfs/dbraw/zinc/89/29/75/719892975.db2.gz GPRNZFQOVWZUNO-UHFFFAOYSA-N 1 1 481.062 4.005 20 0 JIADMO CCO[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)[C@H]2CCCO[C@H]12 ZINC001164712560 720063977 /nfs/dbraw/zinc/06/39/77/720063977.db2.gz KQZBVRUHCXMECI-CVFMPKEZSA-N 1 1 456.656 4.185 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1cccnc1Cl)CC2 ZINC001164710022 720106502 /nfs/dbraw/zinc/10/65/02/720106502.db2.gz FPPJCSFHGLXBCH-SFHVURJKSA-N 1 1 452.933 4.062 20 0 JIADMO 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COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccc(OC)cc1)C2 ZINC001164811677 720198998 /nfs/dbraw/zinc/19/89/98/720198998.db2.gz JLJFIAMBXGQTMD-UUOWRZLLSA-N 1 1 458.990 4.116 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccn3)c(-c3ccccn3)nc1Cl)C2 ZINC001164810914 720199961 /nfs/dbraw/zinc/19/99/61/720199961.db2.gz FMNFFIVGGDHMFL-DCFHFQCYSA-N 1 1 491.039 4.439 20 0 JIADMO c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001164734823 720437322 /nfs/dbraw/zinc/43/73/22/720437322.db2.gz UZDSJTGWVYMDEU-VXKWHMMOSA-N 1 1 474.678 4.414 20 0 JIADMO c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001164734821 720438903 /nfs/dbraw/zinc/43/89/03/720438903.db2.gz UZDSJTGWVYMDEU-FCHUYYIVSA-N 1 1 474.678 4.414 20 0 JIADMO c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164735117 720439089 /nfs/dbraw/zinc/43/90/89/720439089.db2.gz WEYLMMYGMZDWAI-FCHUYYIVSA-N 1 1 474.678 4.414 20 0 JIADMO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724103 720475241 /nfs/dbraw/zinc/47/52/41/720475241.db2.gz DVOUPDZNUKWACP-SFTDATJTSA-N 1 1 487.938 4.382 20 0 JIADMO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724103 720475248 /nfs/dbraw/zinc/47/52/48/720475248.db2.gz DVOUPDZNUKWACP-SFTDATJTSA-N 1 1 487.938 4.382 20 0 JIADMO Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)c1 ZINC001164731611 720494451 /nfs/dbraw/zinc/49/44/51/720494451.db2.gz WSSFPZYOMBQVNF-CLOONOSVSA-N 1 1 475.008 4.194 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4sc5c(c43)CC[C@@H](C)C5)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836783 720540688 /nfs/dbraw/zinc/54/06/88/720540688.db2.gz KXADTHAVVKNILJ-XODKDNOYSA-N 1 1 450.656 4.390 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc(Oc4ccc(F)cc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835058 720566670 /nfs/dbraw/zinc/56/66/70/720566670.db2.gz GVIWNSMMYUJXEQ-IMFGXOCKSA-N 1 1 471.968 4.031 20 0 JIADMO 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F[C@H](Oc1ccnc(Cl)c1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753819 720881623 /nfs/dbraw/zinc/88/16/23/720881623.db2.gz QBDZVVLJMUWEDD-OYDLWJJNSA-N 1 1 460.981 4.013 20 0 JIADMO Cc1c[nH]c2nc(Cl)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755938 720882213 /nfs/dbraw/zinc/88/22/13/720882213.db2.gz NMQMOQPKJIPYHC-NLFFAJNJSA-N 1 1 467.017 4.070 20 0 JIADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2nccnc2C2SCCCS2)C3)c1 ZINC001164753209 720882245 /nfs/dbraw/zinc/88/22/45/720882245.db2.gz GDCVUTPAZUXMTH-BKMJKUGQSA-N 1 1 497.734 4.495 20 0 JIADMO Clc1ccc2c(c1)ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755074 720883797 /nfs/dbraw/zinc/88/37/97/720883797.db2.gz KOOXACNFTHYXMN-LVXARBLLSA-N 1 1 464.013 4.433 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)CC[C@@H]2C1 ZINC001164863610 720884092 /nfs/dbraw/zinc/88/40/92/720884092.db2.gz SQOVRTFODOVFLF-IIBYNOLFSA-N 1 1 469.935 4.260 20 0 JIADMO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164755119 720892071 /nfs/dbraw/zinc/89/20/71/720892071.db2.gz KXUFSLZLLRXKTD-ATIYNZHBSA-N 1 1 485.028 4.062 20 0 JIADMO CCOc1ccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164757419 720893084 /nfs/dbraw/zinc/89/30/84/720893084.db2.gz ULADAOKFOUYDCE-FIPFOOKPSA-N 1 1 473.621 4.179 20 0 JIADMO O=C(c1cccnc1)N1CCC2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)CC1 ZINC001164860842 720894267 /nfs/dbraw/zinc/89/42/67/720894267.db2.gz VEOFBPBYRDBRNL-UHFFFAOYSA-N 1 1 467.617 4.168 20 0 JIADMO COc1cccc(-c2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)c1 ZINC001164750544 720898606 /nfs/dbraw/zinc/89/86/06/720898606.db2.gz BIXLHAGTTYWHPF-IRPSRAIASA-N 1 1 485.632 4.302 20 0 JIADMO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758136 720899210 /nfs/dbraw/zinc/89/92/10/720899210.db2.gz XCGYUJORMXZTCC-HFZDXXHNSA-N 1 1 496.059 4.211 20 0 JIADMO CC(C)(C)c1nc2[nH]ccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755709 720904058 /nfs/dbraw/zinc/90/40/58/720904058.db2.gz NBRUOAVBFFJSEK-RBISFHTESA-N 1 1 474.653 4.406 20 0 JIADMO CC(C)n1ccc2c1ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754391 720904680 /nfs/dbraw/zinc/90/46/80/720904680.db2.gz ITNAJAFKVVMDBF-WNCULLNHSA-N 1 1 460.626 4.162 20 0 JIADMO Clc1nc2c(Cl)nccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164746450 720907522 /nfs/dbraw/zinc/90/75/22/720907522.db2.gz AEPDAODDWQNENP-KBMIEXCESA-N 1 1 499.446 4.482 20 0 JIADMO CSc1ncc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749153 720907596 /nfs/dbraw/zinc/90/75/96/720907596.db2.gz HZWKHEGETWGZDH-CVDCTZTESA-N 1 1 460.047 4.002 20 0 JIADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(-c4ccncc4)cn2)C3)c1 ZINC001164750035 720909071 /nfs/dbraw/zinc/90/90/71/720909071.db2.gz IUWFYEWTFAFXHT-IXCJQBJRSA-N 1 1 455.606 4.294 20 0 JIADMO COc1cccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)c1 ZINC001164752938 720913156 /nfs/dbraw/zinc/91/31/56/720913156.db2.gz PNAFERYFUHFIBX-SVEHJYQDSA-N 1 1 485.632 4.302 20 0 JIADMO COC(=O)c1cc2ccccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748067 720915717 /nfs/dbraw/zinc/91/57/17/720915717.db2.gz FMCLANLOPUPFDG-FUFSCUOVSA-N 1 1 486.616 4.172 20 0 JIADMO Cc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)o1 ZINC001164752216 720921948 /nfs/dbraw/zinc/92/19/48/720921948.db2.gz NPGAGXLNFKPWPX-HOFKKMOUSA-N 1 1 459.594 4.195 20 0 JIADMO CC(C)Sc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164751426 720923635 /nfs/dbraw/zinc/92/36/35/720923635.db2.gz MIIBERKDCWGXQA-WIOPSUGQSA-N 1 1 453.656 4.127 20 0 JIADMO COC(=O)c1cccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc21 ZINC001164752310 720924458 /nfs/dbraw/zinc/92/44/58/720924458.db2.gz NVQSWABWSHVTEN-MUAVYFROSA-N 1 1 486.616 4.172 20 0 JIADMO FC(F)(Oc1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753643 720932968 /nfs/dbraw/zinc/93/29/68/720932968.db2.gz RWHNUOZRYXMDSF-NFBKMPQASA-N 1 1 478.971 4.310 20 0 JIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)[C@@H]2C ZINC001164858127 721000353 /nfs/dbraw/zinc/00/03/53/721000353.db2.gz HLOOWYPWEUVRSP-OAHLLOKOSA-N 1 1 461.948 4.355 20 0 JIADMO COc1ccc2nc(C(F)(F)N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)nc(Cl)c2c1 ZINC001164863186 721007706 /nfs/dbraw/zinc/00/77/06/721007706.db2.gz UISFCQQGYZXKKB-AWEZNQCLSA-N 1 1 464.948 4.455 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](COCC4CC4)CN(C)C(=O)[C@H]3CC2)nc1 ZINC001164859467 721030491 /nfs/dbraw/zinc/03/04/91/721030491.db2.gz IJFUOOUAVYYCBU-FXSWLTOZSA-N 1 1 468.686 4.366 20 0 JIADMO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164861521 721033486 /nfs/dbraw/zinc/03/34/86/721033486.db2.gz IHIYZPLAPCYVKI-UHFFFAOYSA-N 1 1 484.938 4.363 20 0 JIADMO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164868167 721067428 /nfs/dbraw/zinc/06/74/28/721067428.db2.gz NKMMXBYWTVGCTL-LEWJYISDSA-N 1 1 473.527 4.450 20 0 JIADMO Clc1cc(OCc2ccccc2)cnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880924 721127540 /nfs/dbraw/zinc/12/75/40/721127540.db2.gz XPCUXYFPTBDBEQ-GGAORHGYSA-N 1 1 450.970 4.189 20 0 JIADMO Fc1ccc(-c2nnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c3ccccc32)cc1F ZINC001164877588 721141763 /nfs/dbraw/zinc/14/17/63/721141763.db2.gz OUYRIUATHQMYCW-SFTDATJTSA-N 1 1 473.527 4.450 20 0 JIADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870328 721152470 /nfs/dbraw/zinc/15/24/70/721152470.db2.gz CODJNOOHJODWSC-RTWAWAEBSA-N 1 1 471.939 4.217 20 0 JIADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164878910 721165834 /nfs/dbraw/zinc/16/58/34/721165834.db2.gz QUMZKRQGZHYUGH-FGZHOGPDSA-N 1 1 487.629 4.379 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164774355 721194090 /nfs/dbraw/zinc/19/40/90/721194090.db2.gz YNIARAWDQCOXER-SFTDATJTSA-N 1 1 485.661 4.324 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nnc(-c5ccc(F)c(F)c5)c5ccccc54)C[C@H]3C2)cn1 ZINC001164774370 721197959 /nfs/dbraw/zinc/19/79/59/721197959.db2.gz YPYSVSUEOXBAJD-WOJBJXKFSA-N 1 1 460.532 4.267 20 0 JIADMO CCN1C(C)=N[C@@]2(CC[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc(C)c(C)c54)C[C@@H]32)C1=O ZINC001164872488 721232293 /nfs/dbraw/zinc/23/22/93/721232293.db2.gz LPGJYTWUGKMXQZ-CUVVAGTFSA-N 1 1 480.682 4.160 20 0 JIADMO O=C(N1CCCC1)C12CC(C1)CN2c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164871190 721237651 /nfs/dbraw/zinc/23/76/51/721237651.db2.gz FAZXLLCIBSPPSO-UHFFFAOYSA-N 1 1 465.667 4.147 20 0 JIADMO O=C(c1ccsc1)N1CCO[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164879186 721295634 /nfs/dbraw/zinc/29/56/34/721295634.db2.gz WKRCGCOTTLLMJQ-OZXSUGGESA-N 1 1 488.657 4.069 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3cc(C(=O)OC)c(N4CCCC4)nc3CC2)nc1 ZINC001164775688 721308461 /nfs/dbraw/zinc/30/84/61/721308461.db2.gz IJIWCKCFAOURTI-RUZDIDTESA-N 1 1 477.653 4.406 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccccn2)c2ccnc([C@H]3COCCN3)n2)nc1 ZINC001164877562 721330384 /nfs/dbraw/zinc/33/03/84/721330384.db2.gz WCZFHCKAGCCPBE-FGZHOGPDSA-N 1 1 459.598 4.334 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1Cl ZINC001164779228 721341996 /nfs/dbraw/zinc/34/19/96/721341996.db2.gz RJTJEWSWWVWECB-HSZRJFAPSA-N 1 1 497.423 4.289 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1Cl ZINC001164779228 721341999 /nfs/dbraw/zinc/34/19/99/721341999.db2.gz RJTJEWSWWVWECB-HSZRJFAPSA-N 1 1 497.423 4.289 20 0 JIADMO CCOC(=O)c1cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc2ccccc21 ZINC001164777424 721349568 /nfs/dbraw/zinc/34/95/68/721349568.db2.gz GXOGMHKYSFHGTA-MHZLTWQESA-N 1 1 478.593 4.135 20 0 JIADMO CCOC(=O)c1cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc2ccccc21 ZINC001164777424 721349569 /nfs/dbraw/zinc/34/95/69/721349569.db2.gz GXOGMHKYSFHGTA-MHZLTWQESA-N 1 1 478.593 4.135 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)n1 ZINC001164883824 721351398 /nfs/dbraw/zinc/35/13/98/721351398.db2.gz MKFJCTIDJLQUMG-FGZHOGPDSA-N 1 1 493.677 4.127 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164779744 721353386 /nfs/dbraw/zinc/35/33/86/721353386.db2.gz VJCNCCJKHGNVDZ-NDEPHWFRSA-N 1 1 486.620 4.203 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c(Cl)nccc43)C2)C1 ZINC001164786074 721363780 /nfs/dbraw/zinc/36/37/80/721363780.db2.gz VYABDDCAWHEKNJ-QFIPXVFZSA-N 1 1 477.396 4.055 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4sc5c(c43)CCC5)C2)C1 ZINC001164781494 721365012 /nfs/dbraw/zinc/36/50/12/721365012.db2.gz JNJHUAWHBKBWSN-VWLOTQADSA-N 1 1 467.639 4.212 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4cccnc4)nc4ccccc43)C2)C1 ZINC001164780021 721365754 /nfs/dbraw/zinc/36/57/54/721365754.db2.gz CDXFQPTXKYSGLD-NDEPHWFRSA-N 1 1 484.604 4.416 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)C1 ZINC001164787142 721368562 /nfs/dbraw/zinc/36/85/62/721368562.db2.gz ZIBJMCPQSGRGRW-RUZDIDTESA-N 1 1 451.546 4.007 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)C1 ZINC001164787142 721368567 /nfs/dbraw/zinc/36/85/67/721368567.db2.gz ZIBJMCPQSGRGRW-RUZDIDTESA-N 1 1 451.546 4.007 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccncc4)nc4sccc43)C2)C1 ZINC001164780299 721372094 /nfs/dbraw/zinc/37/20/94/721372094.db2.gz FUVVCLZTNVJMEZ-AREMUKBSSA-N 1 1 490.633 4.477 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5F)nc5ccc(F)cc54)C3)O2)CC1 ZINC001164890474 721397651 /nfs/dbraw/zinc/39/76/51/721397651.db2.gz NMUFQBNXVOHOOC-KMRXNPHXSA-N 1 1 493.602 4.340 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5)nc5ccccc54)C3)O2)CC1 ZINC001164883558 721404055 /nfs/dbraw/zinc/40/40/55/721404055.db2.gz ATIIVESDXWQSIY-QDPGVEIFSA-N 1 1 457.622 4.062 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C3)O2)CC1 ZINC001164889437 721405193 /nfs/dbraw/zinc/40/51/93/721405193.db2.gz QNIDVQILSHVVLL-NZQKXSOJSA-N 1 1 464.988 4.199 20 0 JIADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891340 721422774 /nfs/dbraw/zinc/42/27/74/721422774.db2.gz VKFFSZVVOCWWDD-XDHUDOTRSA-N 1 1 479.452 4.316 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@@H]5C[N@@H+](Cc6nccs6)C[C@@H]5C4)c23)C1 ZINC001164782744 721427248 /nfs/dbraw/zinc/42/72/48/721427248.db2.gz HRCJPXJKLFXEFU-QRVBRYPASA-N 1 1 494.734 4.437 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@@H]5C[N@H+](Cc6nccs6)C[C@@H]5C4)c23)C1 ZINC001164782744 721427250 /nfs/dbraw/zinc/42/72/50/721427250.db2.gz HRCJPXJKLFXEFU-QRVBRYPASA-N 1 1 494.734 4.437 20 0 JIADMO CSCc1nc2sc3c(c2c(N2C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C2)n1)CCCC3 ZINC001164783481 721427313 /nfs/dbraw/zinc/42/73/13/721427313.db2.gz ISHQNCKUIZIRPW-GASCZTMLSA-N 1 1 457.694 4.458 20 0 JIADMO CSCc1nc2sc3c(c2c(N2C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C2)n1)CCCC3 ZINC001164783481 721427314 /nfs/dbraw/zinc/42/73/14/721427314.db2.gz ISHQNCKUIZIRPW-GASCZTMLSA-N 1 1 457.694 4.458 20 0 JIADMO COc1ccc(-c2csc3ncnc(N4CC[C@]5(C4)CCC[C@H](CN4CC[NH+](C)CC4)O5)c23)cc1 ZINC001164893165 721433036 /nfs/dbraw/zinc/43/30/36/721433036.db2.gz JNFOKKIJIGVMKV-AMGIVPHBSA-N 1 1 493.677 4.132 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccc(F)cc5)nc5ccccc54)C3)O2)CC1 ZINC001164889588 721434556 /nfs/dbraw/zinc/43/45/56/721434556.db2.gz CCRCLFXPJOWIML-FIPFOOKPSA-N 1 1 475.612 4.201 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5cccc6ccccc65)nn4)C3)O2)CC1 ZINC001164897689 721441242 /nfs/dbraw/zinc/44/12/42/721441242.db2.gz ULFGWRAGAHQOGV-FIPFOOKPSA-N 1 1 457.622 4.062 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3ncn(C)c3[C@@H]2COCc2cccnc2)nc1 ZINC001164781534 721442404 /nfs/dbraw/zinc/44/24/04/721442404.db2.gz GEFSVPJSLOMCFP-DQEYMECFSA-N 1 1 460.626 4.468 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4cccc(Cl)c4)C3)O2)CC1 ZINC001164889849 721450312 /nfs/dbraw/zinc/45/03/12/721450312.db2.gz PNXOTGDZLSSPQJ-GBXCKJPGSA-N 1 1 492.451 4.341 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccnc(Cl)c1F)CC2 ZINC001164785092 721451539 /nfs/dbraw/zinc/45/15/39/721451539.db2.gz GMDNEOCWHYTFFX-QGZVFWFLSA-N 1 1 461.956 4.153 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(SC)nc3sccc31)CC2 ZINC001164787649 721452260 /nfs/dbraw/zinc/45/22/60/721452260.db2.gz PBLWJJACKIIJGL-SFHVURJKSA-N 1 1 462.685 4.147 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(Oc3ccccc3)n1)CC2 ZINC001164785262 721454897 /nfs/dbraw/zinc/45/48/97/721454897.db2.gz HYAUQHOJQAHGKW-JOCHJYFZSA-N 1 1 452.599 4.003 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)ncc1F)CC2 ZINC001164782367 721459623 /nfs/dbraw/zinc/45/96/23/721459623.db2.gz AKMBKJSWOOEMOL-QGZVFWFLSA-N 1 1 461.956 4.153 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164789240 721462503 /nfs/dbraw/zinc/46/25/03/721462503.db2.gz VZDZKFMFIYVJJD-HXUWFJFHSA-N 1 1 494.076 4.424 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)CC2 ZINC001164783675 721465217 /nfs/dbraw/zinc/46/52/17/721465217.db2.gz FHSKRYDWOHYHFI-FQEVSTJZSA-N 1 1 484.044 4.498 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(-c3cccnc3)nc3ccccc31)CC2 ZINC001164791690 721466891 /nfs/dbraw/zinc/46/68/91/721466891.db2.gz XPPYRTAURCEQOP-DEOSSOPVSA-N 1 1 487.648 4.426 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164790125 721467469 /nfs/dbraw/zinc/46/74/69/721467469.db2.gz RDYKBAPYROIBSD-QHCPKHFHSA-N 1 1 487.648 4.426 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)n1 ZINC001164902392 721490064 /nfs/dbraw/zinc/49/00/64/721490064.db2.gz YRRBXFVKCLTCLZ-IBGZPJMESA-N 1 1 485.698 4.194 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(C[C@@H](C(=O)NC5CCC5)CO4)CC3)c2c1C ZINC001164896399 721490299 /nfs/dbraw/zinc/49/02/99/721490299.db2.gz BABJUEOIGSECJD-HXUWFJFHSA-N 1 1 497.709 4.338 20 0 JIADMO CNC(=O)N[C@@H]1CC2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC2)c2ccc(C)cc21 ZINC001164900158 721492210 /nfs/dbraw/zinc/49/22/10/721492210.db2.gz MWNSQXUTKHMCPI-AREMUKBSSA-N 1 1 496.659 4.255 20 0 JIADMO CNC(=O)N[C@@H]1CC2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC2)c2ccc(C)cc21 ZINC001164900158 721492212 /nfs/dbraw/zinc/49/22/12/721492212.db2.gz MWNSQXUTKHMCPI-AREMUKBSSA-N 1 1 496.659 4.255 20 0 JIADMO COc1ccc(-c2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nn2)c(OC)c1OC ZINC001164796299 721502562 /nfs/dbraw/zinc/50/25/62/721502562.db2.gz PJURAAGIPQNDBT-UHFFFAOYSA-N 1 1 489.620 4.445 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc3ccsc3c(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164804520 721538745 /nfs/dbraw/zinc/53/87/45/721538745.db2.gz KCIIWGKIVYUMCE-ZACQAIPSSA-N 1 1 465.957 4.153 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc3ccsc3c(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164804520 721538749 /nfs/dbraw/zinc/53/87/49/721538749.db2.gz KCIIWGKIVYUMCE-ZACQAIPSSA-N 1 1 465.957 4.153 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc3ccccc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164799629 721564510 /nfs/dbraw/zinc/56/45/10/721564510.db2.gz CZLHQNCSNVNPLI-AQNXPRMDSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc3ccccc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164799629 721564514 /nfs/dbraw/zinc/56/45/14/721564514.db2.gz CZLHQNCSNVNPLI-AQNXPRMDSA-N 1 1 459.928 4.091 20 0 JIADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)CCN3C2)c1 ZINC001164907218 721568088 /nfs/dbraw/zinc/56/80/88/721568088.db2.gz MTYGRCCPVGTKPT-FPOVZHCZSA-N 1 1 478.946 4.138 20 0 JIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)CCN3C2)c1 ZINC001164907220 721568118 /nfs/dbraw/zinc/56/81/18/721568118.db2.gz MTYGRCCPVGTKPT-TZIWHRDSSA-N 1 1 478.946 4.138 20 0 JIADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164804004 721576842 /nfs/dbraw/zinc/57/68/42/721576842.db2.gz KQRYSUSXLRFWCP-CHQQOIJLSA-N 1 1 472.637 4.272 20 0 JIADMO CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1c1ccc([C@@H]2CCCC[N@H+]2CC)cn1 ZINC001164904461 721579060 /nfs/dbraw/zinc/57/90/60/721579060.db2.gz QIDUCLBNIZHRKH-LOSJGSFVSA-N 1 1 467.658 4.392 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccc(Cl)cc32)[C@@H]2CCCO[C@H]12 ZINC001164799228 721587787 /nfs/dbraw/zinc/58/77/87/721587787.db2.gz AAGYFDUGYUIRKZ-AQNXPRMDSA-N 1 1 459.928 4.484 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C(F)F)nc3ccc(Cl)cc32)[C@@H]2CCCO[C@H]12 ZINC001164799228 721587788 /nfs/dbraw/zinc/58/77/88/721587788.db2.gz AAGYFDUGYUIRKZ-AQNXPRMDSA-N 1 1 459.928 4.484 20 0 JIADMO CCOC(Cc1c(Cl)ncnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1)OCC ZINC001164907281 721704994 /nfs/dbraw/zinc/70/49/94/721704994.db2.gz QKLPVANMWKZSDX-QHCPKHFHSA-N 1 1 496.002 4.204 20 0 JIADMO CCOC(=O)c1cc2c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH]c(C)c(C)c-2n1 ZINC001164907297 721712827 /nfs/dbraw/zinc/71/28/27/721712827.db2.gz QLEZGUJVSBCEHJ-VWLOTQADSA-N 1 1 483.563 4.489 20 0 JIADMO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904932 721713303 /nfs/dbraw/zinc/71/33/03/721713303.db2.gz FRLOZLMPWAAMKN-HXUWFJFHSA-N 1 1 480.897 4.356 20 0 JIADMO CC(C)N(C)Cc1nnc2n1CCCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001165009103 721713940 /nfs/dbraw/zinc/71/39/40/721713940.db2.gz PHKZYKRLVTZIOT-UHFFFAOYSA-N 1 1 494.713 4.008 20 0 JIADMO CCOC(=O)c1cc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2s1 ZINC001164904273 721716353 /nfs/dbraw/zinc/71/63/53/721716353.db2.gz BFQQLDXZUAXFIP-JOCHJYFZSA-N 1 1 473.549 4.001 20 0 JIADMO CC1CCN(C(=O)c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2)CC1 ZINC001164905471 721724476 /nfs/dbraw/zinc/72/44/76/721724476.db2.gz GPMFJCNRNLLJAD-RUZDIDTESA-N 1 1 469.580 4.086 20 0 JIADMO COc1ccccc1-c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164913820 721727030 /nfs/dbraw/zinc/72/70/30/721727030.db2.gz YFMLNZNAZBWZPN-DEOSSOPVSA-N 1 1 451.521 4.285 20 0 JIADMO CC(C)c1noc(-c2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2)n1 ZINC001164913976 721732239 /nfs/dbraw/zinc/73/22/39/721732239.db2.gz ZVLHFENTBMRMMJ-QHCPKHFHSA-N 1 1 454.525 4.388 20 0 JIADMO COc1cc2nc(Cl)nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2cc1OC ZINC001164909357 721751343 /nfs/dbraw/zinc/75/13/43/721751343.db2.gz PEACGPYBFORMOP-UHFFFAOYSA-N 1 1 479.968 4.483 20 0 JIADMO COc1cc2nc(Cl)nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2cc1OC ZINC001164909357 721751344 /nfs/dbraw/zinc/75/13/44/721751344.db2.gz PEACGPYBFORMOP-UHFFFAOYSA-N 1 1 479.968 4.483 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)C2 ZINC001164909495 721757098 /nfs/dbraw/zinc/75/70/98/721757098.db2.gz FVVMYOWUXGFDNY-UHFFFAOYSA-N 1 1 496.619 4.107 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)C2 ZINC001164909495 721757099 /nfs/dbraw/zinc/75/70/99/721757099.db2.gz FVVMYOWUXGFDNY-UHFFFAOYSA-N 1 1 496.619 4.107 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@@H]43)c2c1C ZINC001165020491 721772227 /nfs/dbraw/zinc/77/22/27/721772227.db2.gz YERMKYRSIGILMV-OALUTQOASA-N 1 1 465.623 4.238 20 0 JIADMO FC1(F)CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@]12CCN(c1cnccn1)C2 ZINC001164916963 721802363 /nfs/dbraw/zinc/80/23/63/721802363.db2.gz TXAQEMGJADOXRR-SANMLTNESA-N 1 1 476.575 4.172 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN([C@@](F)(COc3cncc(Cl)n3)C(F)F)C[C@@H]21 ZINC001165023212 721826348 /nfs/dbraw/zinc/82/63/48/721826348.db2.gz IGYHKQFAZONWDT-WHEACTPUSA-N 1 1 469.939 4.067 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c(Cl)n1 ZINC001165020437 721840765 /nfs/dbraw/zinc/84/07/65/721840765.db2.gz IYZLDQPTLYFPCB-UHFFFAOYSA-N 1 1 483.943 4.185 20 0 JIADMO COC(=O)c1cc(Cl)nc(C(F)(F)N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1 ZINC001165022035 721841726 /nfs/dbraw/zinc/84/17/26/721841726.db2.gz NKOLAVZSVZHELU-UHFFFAOYSA-N 1 1 483.943 4.185 20 0 JIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(c3nc(-c4ccc(S(C)(=O)=O)cc4)no3)CC2)nc1 ZINC001165033028 721876806 /nfs/dbraw/zinc/87/68/06/721876806.db2.gz LHXYQESMDDIRNL-QHCPKHFHSA-N 1 1 495.649 4.466 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@H]5[C@@H]4CC[N@H+]5CCN(C)C)c23)C1 ZINC001164932641 721879792 /nfs/dbraw/zinc/87/97/92/721879792.db2.gz JVKLHPMQTOYRLY-HJNYFJLDSA-N 1 1 482.742 4.017 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@H]5[C@@H]4CCN5CC[NH+](C)C)c23)C1 ZINC001164932641 721879794 /nfs/dbraw/zinc/87/97/94/721879794.db2.gz JVKLHPMQTOYRLY-HJNYFJLDSA-N 1 1 482.742 4.017 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC3)C2)cc1 ZINC001164939159 721931796 /nfs/dbraw/zinc/93/17/96/721931796.db2.gz JNQMUOZQBOGRKD-UHFFFAOYSA-N 1 1 486.616 4.485 20 0 JIADMO COc1ccc(OC)c(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)nn2)c1 ZINC001164938648 721931864 /nfs/dbraw/zinc/93/18/64/721931864.db2.gz CJCNBLLDPMDATQ-UHFFFAOYSA-N 1 1 474.605 4.341 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc(C(N)=S)c5ccsc54)CC3)C2)cc1 ZINC001164946616 721933603 /nfs/dbraw/zinc/93/36/03/721933603.db2.gz ZVULDSCYKFVCPT-UHFFFAOYSA-N 1 1 452.649 4.110 20 0 JIADMO CS(=O)(=O)c1cc(C(F)(F)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cnc1Cl ZINC001165044635 721939962 /nfs/dbraw/zinc/93/99/62/721939962.db2.gz PHWZEZBRHWDEGF-UHFFFAOYSA-N 1 1 487.359 4.212 20 0 JIADMO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]12 ZINC001164946185 721965931 /nfs/dbraw/zinc/96/59/31/721965931.db2.gz MFZQISSNALNRSZ-DGPALRBDSA-N 1 1 466.629 4.409 20 0 JIADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164962652 722025201 /nfs/dbraw/zinc/02/52/01/722025201.db2.gz QMJKGNAXTPFIEN-UHFFFAOYSA-N 1 1 465.932 4.259 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)c2c1C ZINC001164962807 722034746 /nfs/dbraw/zinc/03/47/46/722034746.db2.gz ZBGOIOQKTCIHKT-ZBLYBZFDSA-N 1 1 490.677 4.222 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)n1 ZINC001164960765 722048142 /nfs/dbraw/zinc/04/81/42/722048142.db2.gz WJWLCSSEGRGZRE-ZWKOTPCHSA-N 1 1 453.612 4.094 20 0 JIADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164958934 722052912 /nfs/dbraw/zinc/05/29/12/722052912.db2.gz HVRXIQGGIAJLNM-UHFFFAOYSA-N 1 1 457.352 4.447 20 0 JIADMO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961218 722053975 /nfs/dbraw/zinc/05/39/75/722053975.db2.gz WIHMIIXQDVHQJX-UHFFFAOYSA-N 1 1 473.955 4.342 20 0 JIADMO Clc1cc2ncnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2cc1Cl ZINC001164962340 722058348 /nfs/dbraw/zinc/05/83/48/722058348.db2.gz RDCALXQYMZBSQL-UHFFFAOYSA-N 1 1 458.393 4.451 20 0 JIADMO CC(=O)N1CCC[C@@]2(C1)CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CC[C@H](C)C4)CCO2 ZINC001164968651 722083762 /nfs/dbraw/zinc/08/37/62/722083762.db2.gz FWAIXVNURSZZSM-UZTOHYMASA-N 1 1 497.709 4.020 20 0 JIADMO O=C(NC1CCC1)[C@@H]1C[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]2C1 ZINC001164976713 722085556 /nfs/dbraw/zinc/08/55/56/722085556.db2.gz WFPZNYRBSDTWOM-REPLKXPHSA-N 1 1 479.694 4.297 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)n1 ZINC001164976797 722090615 /nfs/dbraw/zinc/09/06/15/722090615.db2.gz SKZKRCIJOMMRRK-QUCCMNQESA-N 1 1 499.706 4.150 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4[C@@H](NC(=O)N(C)C)c5ccccc5[C@H]4C3)c2c1C ZINC001164986007 722098054 /nfs/dbraw/zinc/09/80/54/722098054.db2.gz XRVCTDHIPASJBK-DPLHUUCSSA-N 1 1 490.677 4.450 20 0 JIADMO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164981029 722118340 /nfs/dbraw/zinc/11/83/40/722118340.db2.gz SBWJTTNUAXDUPJ-GBXCKJPGSA-N 1 1 495.986 4.249 20 0 JIADMO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164981543 722143282 /nfs/dbraw/zinc/14/32/82/722143282.db2.gz PGFWIHUMBWGVAC-PGRDOPGGSA-N 1 1 469.948 4.184 20 0 JIADMO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981511 722147008 /nfs/dbraw/zinc/14/70/08/722147008.db2.gz PDPPHYSARDVLEK-XXBNENTESA-N 1 1 453.949 4.058 20 0 JIADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC[C@H]3C2)c1 ZINC001164975162 722150818 /nfs/dbraw/zinc/15/08/18/722150818.db2.gz DZRQMWLRTCKPBI-LBNVMWSVSA-N 1 1 484.648 4.256 20 0 JIADMO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975375 722154392 /nfs/dbraw/zinc/15/43/92/722154392.db2.gz SOXJSIRATIUPPV-XMSQKQJNSA-N 1 1 469.948 4.184 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C2)nc1 ZINC001164989775 722187369 /nfs/dbraw/zinc/18/73/69/722187369.db2.gz JWVWZKQJMUSCRG-OBDYRVMHSA-N 1 1 482.694 4.201 20 0 JIADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164992873 722196771 /nfs/dbraw/zinc/19/67/71/722196771.db2.gz BQNILMZQXQEEFZ-AREMUKBSSA-N 1 1 491.592 4.052 20 0 JIADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995883 722202454 /nfs/dbraw/zinc/20/24/54/722202454.db2.gz PQFZFJSFINFAJQ-OAQYLSRUSA-N 1 1 453.892 4.451 20 0 JIADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995883 722202455 /nfs/dbraw/zinc/20/24/55/722202455.db2.gz PQFZFJSFINFAJQ-OAQYLSRUSA-N 1 1 453.892 4.451 20 0 JIADMO Cc1ccc(-c2nnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c3ccccc32)cc1C ZINC001165002670 722237474 /nfs/dbraw/zinc/23/74/74/722237474.db2.gz XAPMMTVKIHTUDB-UHFFFAOYSA-N 1 1 479.632 4.061 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCc4onc(C(=O)Nc5cccnc5)c4C3)c2c1C ZINC001165000233 722248322 /nfs/dbraw/zinc/24/83/22/722248322.db2.gz GBYCAFURUNRVMR-UHFFFAOYSA-N 1 1 489.605 4.102 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@](C)(O)C(C)C ZINC001300650500 1069331886 /nfs/dbraw/zinc/33/18/86/1069331886.db2.gz YOVJHQYBAGERBN-MRJKTFCFSA-N 1 1 499.700 4.364 20 0 JIADMO COc1ccccc1OCc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCSC(F)(F)F ZINC001300651580 1069335671 /nfs/dbraw/zinc/33/56/71/1069335671.db2.gz FRGKLXFQDZHECO-KRWDZBQOSA-N 1 1 499.603 4.429 20 0 JIADMO COc1ccccc1OCc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@H](OC)C(C)(C)C ZINC001300651473 1069335789 /nfs/dbraw/zinc/33/57/89/1069335789.db2.gz BGKNGILGVCQLQZ-RDPSFJRHSA-N 1 1 485.673 4.237 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1(SC)CC1 ZINC001300653280 1069342397 /nfs/dbraw/zinc/34/23/97/1069342397.db2.gz VNAVSYUVWUVQNV-UHFFFAOYSA-N 1 1 459.660 4.072 20 0 JIADMO CC(C)[C@@H](CNC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1)[NH+]1CCOCC1 ZINC001354587455 1069356950 /nfs/dbraw/zinc/35/69/50/1069356950.db2.gz GQJMOUXMGSRHPQ-QGZVFWFLSA-N 1 1 454.011 4.353 20 0 JIADMO COc1ccccc1OCc1nnc(Nc2ccn(C)n2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300660084 1069367063 /nfs/dbraw/zinc/36/70/63/1069367063.db2.gz HMHPVCSCGKAZJI-KDURUIRLSA-N 1 1 467.618 4.099 20 0 JIADMO COc1cc(Br)c(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)cc1OC ZINC001200715383 1069371668 /nfs/dbraw/zinc/37/16/68/1069371668.db2.gz YWSHPEBJUCPIIL-INIZCTEOSA-N 1 1 453.764 4.405 20 0 JIADMO COc1ccccc1OCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300662236 1069377520 /nfs/dbraw/zinc/37/75/20/1069377520.db2.gz ZCFLZHRPKLHTQK-RBBKRZOGSA-N 1 1 478.641 4.293 20 0 JIADMO COc1cccc(OC)c1Oc1ccc(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cn1 ZINC001354612454 1069401192 /nfs/dbraw/zinc/40/11/92/1069401192.db2.gz FTVNVIWQQGZFQA-JOCHJYFZSA-N 1 1 455.942 4.464 20 0 JIADMO COc1cc(C(=O)N(C)C)ccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001354615597 1069405379 /nfs/dbraw/zinc/40/53/79/1069405379.db2.gz SGNXOOKZHRMPCK-NHCUHLMSSA-N 1 1 463.603 4.313 20 0 JIADMO C/C(=C/c1ccccc1)CN(C)c1nnc(Cc2ccsc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001359348140 1069423482 /nfs/dbraw/zinc/42/34/82/1069423482.db2.gz AMOYPWVJKQCZHI-XLNRJJMWSA-N 1 1 478.710 4.496 20 0 JIADMO C/C(=C/c1ccccc1)CN(C)c1nnc(Cc2ccsc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001359348140 1069423493 /nfs/dbraw/zinc/42/34/93/1069423493.db2.gz AMOYPWVJKQCZHI-XLNRJJMWSA-N 1 1 478.710 4.496 20 0 JIADMO C/C(=C/c1ccccc1)CN(C)c1nnc(Cc2ccsc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001359348140 1069423508 /nfs/dbraw/zinc/42/35/08/1069423508.db2.gz AMOYPWVJKQCZHI-XLNRJJMWSA-N 1 1 478.710 4.496 20 0 JIADMO C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359349206 1069425801 /nfs/dbraw/zinc/42/58/01/1069425801.db2.gz STPKFLZJOPTQMN-UPVOOSPTSA-N 1 1 464.658 4.424 20 0 JIADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CCC(C)(F)F)C[C@H]2C)CC1 ZINC001359380907 1069485733 /nfs/dbraw/zinc/48/57/33/1069485733.db2.gz VEJLUMWDXAANRM-DYESRHJHSA-N 1 1 495.018 4.023 20 0 JIADMO CC(=O)N1CCCN(c2nnc(COc3cc(C)ccc3C)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359378433 1069483529 /nfs/dbraw/zinc/48/35/29/1069483529.db2.gz OKGRUDJEUQNLAH-XMMPIXPASA-N 1 1 496.700 4.187 20 0 JIADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001359386121 1069494062 /nfs/dbraw/zinc/49/40/62/1069494062.db2.gz UBYPQWGSCQDBRH-UHFFFAOYSA-N 1 1 479.456 4.185 20 0 JIADMO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)[C@@H](C)C1 ZINC001359397596 1069504073 /nfs/dbraw/zinc/50/40/73/1069504073.db2.gz FRUWOJZLCXPHJV-UPVQGACJSA-N 1 1 498.741 4.304 20 0 JIADMO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(Cl)c3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001359411433 1069527152 /nfs/dbraw/zinc/52/71/52/1069527152.db2.gz LUYFVMKXOQBDKI-UHFFFAOYSA-N 1 1 484.048 4.467 20 0 JIADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(C(C)(C)C)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001359464563 1069592427 /nfs/dbraw/zinc/59/24/27/1069592427.db2.gz XEMJNNSMZHZDLA-LJQANCHMSA-N 1 1 460.692 4.044 20 0 JIADMO CC(C)(C)c1nnc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1CCSCCCO ZINC001359508110 1069782984 /nfs/dbraw/zinc/78/29/84/1069782984.db2.gz NVEMVSLYIHMEBV-UHFFFAOYSA-N 1 1 471.715 4.184 20 0 JIADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CCCC1CCCC1 ZINC001359514903 1069801228 /nfs/dbraw/zinc/80/12/28/1069801228.db2.gz CEFFBPBSZHDAJM-HSZRJFAPSA-N 1 1 469.674 4.108 20 0 JIADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001359515123 1069801609 /nfs/dbraw/zinc/80/16/09/1069801609.db2.gz KIZLWGKDXYKCNT-SFHVURJKSA-N 1 1 483.991 4.180 20 0 JIADMO CC(C)(C)[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001359521926 1069809468 /nfs/dbraw/zinc/80/94/68/1069809468.db2.gz INKBDXKSVXAFEU-CTNGQTDRSA-N 1 1 476.065 4.230 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCC[C@H](Oc3ccccc3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001359535225 1069828532 /nfs/dbraw/zinc/82/85/32/1069828532.db2.gz MURYKRXOVMWXSZ-QFIPXVFZSA-N 1 1 455.647 4.025 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCN(Cc3cccs3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359540211 1069837374 /nfs/dbraw/zinc/83/73/74/1069837374.db2.gz MMJUFNKJTSJQRH-UHFFFAOYSA-N 1 1 458.720 4.372 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2CCCC2)CC1 ZINC001359547289 1069852603 /nfs/dbraw/zinc/85/26/03/1069852603.db2.gz JMZRGZZZNKNNRR-UHFFFAOYSA-N 1 1 473.065 4.362 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccc3)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001359547978 1069854358 /nfs/dbraw/zinc/85/43/58/1069854358.db2.gz JZYGZYNENGPQJB-UHFFFAOYSA-N 1 1 473.547 4.307 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CCC2(O)CCC2)CC1 ZINC001359548693 1069855992 /nfs/dbraw/zinc/85/59/92/1069855992.db2.gz MQBDBIMGHVXQTE-UHFFFAOYSA-N 1 1 462.038 4.126 20 0 JIADMO 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COCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(COC(C)(C)C)c2)CC1 ZINC001316135267 1065802959 /nfs/dbraw/zinc/80/29/59/1065802959.db2.gz NCAFGHYZKYMVDC-UHFFFAOYSA-N 1 1 483.682 4.062 20 0 JIADMO COCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2CC2(Sc3ccccc3)CC2)C[C@@H]1C ZINC001316134671 1065803061 /nfs/dbraw/zinc/80/30/61/1065803061.db2.gz WTXNNMXBCMWPAE-FQEVSTJZSA-N 1 1 457.688 4.349 20 0 JIADMO COCC[N@H+]1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C)cc2SC)C[C@H]1C ZINC001316138850 1065804990 /nfs/dbraw/zinc/80/49/90/1065804990.db2.gz WJGNUECVRHQPSZ-HXUWFJFHSA-N 1 1 457.688 4.246 20 0 JIADMO COCC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC2CC(C)(C)C2)CC1 ZINC001316139315 1065805611 /nfs/dbraw/zinc/80/56/11/1065805611.db2.gz RIIIALAWCXZTAJ-UHFFFAOYSA-N 1 1 469.674 4.494 20 0 JIADMO COCC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCCC2(C)C)CC1 ZINC001316139862 1065806038 /nfs/dbraw/zinc/80/60/38/1065806038.db2.gz FXDVEJPXIMZOLY-FQEVSTJZSA-N 1 1 473.687 4.174 20 0 JIADMO COCC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCCC2(C)C)CC1 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RDRORYJFHNAJPA-HSZRJFAPSA-N 1 1 484.714 4.125 20 0 JIADMO CS[C@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001316426998 1066248192 /nfs/dbraw/zinc/24/81/92/1066248192.db2.gz DWDIIRQWEJAWBB-YADHBBJMSA-N 1 1 478.106 4.091 20 0 JIADMO CSC[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001316433360 1066278280 /nfs/dbraw/zinc/27/82/80/1066278280.db2.gz OZAOFTVUQXAXDG-WWNPGLIZSA-N 1 1 484.714 4.049 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)NCc3ccc(COCc4ccccc4)cc3)c2)CC1 ZINC001326076909 1066284187 /nfs/dbraw/zinc/28/41/87/1066284187.db2.gz HJEHBFMQALZTGG-UHFFFAOYSA-N 1 1 472.633 4.150 20 0 JIADMO CSC[C@H]1CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001316437526 1066291543 /nfs/dbraw/zinc/29/15/43/1066291543.db2.gz BRWJJDYNWLQCFY-FGZHOGPDSA-N 1 1 478.106 4.211 20 0 JIADMO 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 1066310681 /nfs/dbraw/zinc/31/06/81/1066310681.db2.gz VMRPRGGKMGSPFV-ROUUACIJSA-N 1 1 460.447 4.407 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CCOc3ccccc3F)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001492503763 1066317701 /nfs/dbraw/zinc/31/77/01/1066317701.db2.gz USUOABXWUJYBHM-UHFFFAOYSA-N 1 1 466.605 4.425 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3c(C)n(C4CC4)c4ccc(OC)cc43)C2)ccn1 ZINC001329440680 1066338190 /nfs/dbraw/zinc/33/81/90/1066338190.db2.gz DXVGIAGMQQMSPS-HSZRJFAPSA-N 1 1 462.594 4.433 20 0 JIADMO CSCCCCn1c(Cc2ccncc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001316463708 1066361825 /nfs/dbraw/zinc/36/18/25/1066361825.db2.gz WAKLJBNOJRABRD-IBGZPJMESA-N 1 1 456.685 4.352 20 0 JIADMO CSCCCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001316465608 1066366412 /nfs/dbraw/zinc/36/64/12/1066366412.db2.gz OIMZBOZZPYEXFZ-MRXNPFEDSA-N 1 1 462.570 4.195 20 0 JIADMO Cc1cccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001492516952 1066366466 /nfs/dbraw/zinc/36/64/66/1066366466.db2.gz BRPHWGXAPYZRAG-NRFANRHFSA-N 1 1 497.688 4.074 20 0 JIADMO CSCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001316476191 1066387389 /nfs/dbraw/zinc/38/73/89/1066387389.db2.gz WGQHPYLHSGGLQM-UHFFFAOYSA-N 1 1 482.492 4.008 20 0 JIADMO CSCCCn1c(-c2ccc(Br)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001316476191 1066387405 /nfs/dbraw/zinc/38/74/05/1066387405.db2.gz WGQHPYLHSGGLQM-UHFFFAOYSA-N 1 1 482.492 4.008 20 0 JIADMO C[C@@H](C1CCCCC1)N(C)c1nnc(COc2ccc(F)cc2)n1CCC[NH+]1CCOCC1 ZINC001316481523 1066396596 /nfs/dbraw/zinc/39/65/96/1066396596.db2.gz IELQLXYYTFHFII-FQEVSTJZSA-N 1 1 459.610 4.124 20 0 JIADMO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+](C)C2CCCC2)C[C@@H]1F ZINC001316487825 1066412020 /nfs/dbraw/zinc/41/20/20/1066412020.db2.gz CRSWDAUVNAFRMK-HIFRSBDPSA-N 1 1 456.429 4.438 20 0 JIADMO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C(F)(F)F ZINC001316490396 1066424163 /nfs/dbraw/zinc/42/41/63/1066424163.db2.gz TXPJRQSRJGQGCT-WIYYLYMNSA-N 1 1 479.591 4.382 20 0 JIADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1ccc(Cl)cc1F ZINC001316491997 1066429263 /nfs/dbraw/zinc/42/92/63/1066429263.db2.gz BNQOGFIKLNKEQN-MRXNPFEDSA-N 1 1 450.002 4.106 20 0 JIADMO Cc1cccc(CCn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC001492531106 1066450227 /nfs/dbraw/zinc/45/02/27/1066450227.db2.gz SCZUYVMMJOHOBM-UHFFFAOYSA-N 1 1 450.606 4.274 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1CCCOC[C@@H]1CCCO1 ZINC001316497795 1066451011 /nfs/dbraw/zinc/45/10/11/1066451011.db2.gz VBTPPDDMTRDTAL-VWNXMTODSA-N 1 1 469.674 4.163 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccsc3)n2Cc2ccc(Cl)s2)C[C@H](C)O1 ZINC001316502655 1066466399 /nfs/dbraw/zinc/46/63/99/1066466399.db2.gz DJTCGNTUJJNLCM-IYBDPMFKSA-N 1 1 466.076 4.239 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccsc3)n2Cc2ccc(Cl)s2)C[C@H](C)O1 ZINC001316502655 1066466410 /nfs/dbraw/zinc/46/64/10/1066466410.db2.gz DJTCGNTUJJNLCM-IYBDPMFKSA-N 1 1 466.076 4.239 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCCC(F)(F)C2)C[C@H](C)O1 ZINC001316503480 1066469563 /nfs/dbraw/zinc/46/95/63/1066469563.db2.gz QEWJJWOYOMUBPY-MHTWAQMVSA-N 1 1 469.621 4.281 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCCC(F)(F)C2)C[C@H](C)O1 ZINC001316503480 1066469573 /nfs/dbraw/zinc/46/95/73/1066469573.db2.gz QEWJJWOYOMUBPY-MHTWAQMVSA-N 1 1 469.621 4.281 20 0 JIADMO C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CC=CCC1 ZINC001316504672 1066475694 /nfs/dbraw/zinc/47/56/94/1066475694.db2.gz BHHJJZYTVVXQCB-HNNXBMFYSA-N 1 1 466.449 4.035 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(C)(C)C)n2Cc2cccc(OCC(F)(F)F)c2)C[C@H](C)O1 ZINC001316504826 1066476497 /nfs/dbraw/zinc/47/64/97/1066476497.db2.gz RTWXANFIYXPHMT-HDICACEKSA-N 1 1 483.579 4.110 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(C)(C)C)n2Cc2cccc(OCC(F)(F)F)c2)C[C@H](C)O1 ZINC001316504826 1066476511 /nfs/dbraw/zinc/47/65/11/1066476511.db2.gz RTWXANFIYXPHMT-HDICACEKSA-N 1 1 483.579 4.110 20 0 JIADMO COc1cc(-c2noc(C[NH+]3CCC([C@H]4C(=O)Nc5ccccc54)CC3)n2)ccc1OC(F)F ZINC001338323053 1066547461 /nfs/dbraw/zinc/54/74/61/1066547461.db2.gz BQDJGHCJCNEZBM-OAQYLSRUSA-N 1 1 470.476 4.295 20 0 JIADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCCc3ccc(C(F)(F)F)cn3)c2c1C ZINC001338339264 1066548458 /nfs/dbraw/zinc/54/84/58/1066548458.db2.gz QVKOSVLAWQCILF-UHFFFAOYSA-N 1 1 467.517 4.306 20 0 JIADMO Cc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001492534494 1066581027 /nfs/dbraw/zinc/58/10/27/1066581027.db2.gz DBNBTZLVTIFJFX-DHIUTWEWSA-N 1 1 469.674 4.100 20 0 JIADMO Cc1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001492534494 1066581035 /nfs/dbraw/zinc/58/10/35/1066581035.db2.gz DBNBTZLVTIFJFX-DHIUTWEWSA-N 1 1 469.674 4.100 20 0 JIADMO OCCCCCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001316589025 1066617383 /nfs/dbraw/zinc/61/73/83/1066617383.db2.gz WQQYKNMPOJPQFE-UHFFFAOYSA-N 1 1 490.471 4.254 20 0 JIADMO Cc1cccc(OCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001492542379 1066656498 /nfs/dbraw/zinc/65/64/98/1066656498.db2.gz NAHBHMZWEQYWDY-MCEYFSPLSA-N 1 1 455.647 4.026 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2CCC[C@H](O)C2)c1 ZINC001492543308 1066665447 /nfs/dbraw/zinc/66/54/47/1066665447.db2.gz HOWMORRUBHXMLG-RPWUZVMVSA-N 1 1 469.674 4.273 20 0 JIADMO O=C(COC(=O)c1csc(-c2ccco2)n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001317791321 1066690131 /nfs/dbraw/zinc/69/01/31/1066690131.db2.gz DOMNNTRDLGNTHT-UHFFFAOYSA-N 1 1 487.581 4.494 20 0 JIADMO CCN1CC[NH+](CCCNC(=O)c2cn(-c3ccccc3Cl)nc2-c2ccc(C)cc2)CC1 ZINC001317827060 1066712469 /nfs/dbraw/zinc/71/24/69/1066712469.db2.gz IHEAVIBJEGXGKH-UHFFFAOYSA-N 1 1 466.029 4.259 20 0 JIADMO CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)c1 ZINC001348159242 1066724221 /nfs/dbraw/zinc/72/42/21/1066724221.db2.gz PEDCESHWERMRLW-QZTJIDSGSA-N 1 1 476.023 4.054 20 0 JIADMO CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)c1 ZINC001348159242 1066724229 /nfs/dbraw/zinc/72/42/29/1066724229.db2.gz PEDCESHWERMRLW-QZTJIDSGSA-N 1 1 476.023 4.054 20 0 JIADMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1N1CCCCC1=O ZINC001317855208 1066734575 /nfs/dbraw/zinc/73/45/75/1066734575.db2.gz LCZRZMJIAOXFGV-UHFFFAOYSA-N 1 1 450.583 4.260 20 0 JIADMO O=C(c1nn(-c2ccccc2F)cc1Br)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001317855394 1066735441 /nfs/dbraw/zinc/73/54/41/1066735441.db2.gz LTWXDRKSJCXPRX-UHFFFAOYSA-N 1 1 475.337 4.261 20 0 JIADMO O=C(c1nn(-c2ccccc2F)cc1Br)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001317855394 1066735456 /nfs/dbraw/zinc/73/54/56/1066735456.db2.gz LTWXDRKSJCXPRX-UHFFFAOYSA-N 1 1 475.337 4.261 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](c3nccn3C)c3ccc(Cl)cc3)CC2)cc1 ZINC001317859210 1066738541 /nfs/dbraw/zinc/73/85/41/1066738541.db2.gz ASHLVURWWNMLMZ-QHCPKHFHSA-N 1 1 452.002 4.389 20 0 JIADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC001349107663 1066809547 /nfs/dbraw/zinc/80/95/47/1066809547.db2.gz AYAJKOFHDBFGEQ-ZRJLEYOISA-N 1 1 467.629 4.110 20 0 JIADMO 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 1066815729 /nfs/dbraw/zinc/81/57/29/1066815729.db2.gz NQHYOQXSYVKKOM-DLBZAZTESA-N 1 1 457.537 4.289 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)CSCC(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC001318027854 1066859679 /nfs/dbraw/zinc/85/96/79/1066859679.db2.gz WZUTUTKIFCDRNZ-UHFFFAOYSA-N 1 1 490.467 4.164 20 0 JIADMO Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC001318065655 1066881503 /nfs/dbraw/zinc/88/15/03/1066881503.db2.gz XTYQZJZAHVIKEL-QHCPKHFHSA-N 1 1 469.651 4.404 20 0 JIADMO C[NH+](C)[C@H](CNC(=O)CCCCCc1ccc(I)cc1)c1ccco1 ZINC001349793179 1066883593 /nfs/dbraw/zinc/88/35/93/1066883593.db2.gz JPIIUTKRVXSPBY-GOSISDBHSA-N 1 1 454.352 4.406 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCN(c4ccc5cccc(O)c5n4)CC3)CC2)cc1 ZINC001318098941 1066898676 /nfs/dbraw/zinc/89/86/76/1066898676.db2.gz KOGJPPKDQIEZJJ-UHFFFAOYSA-N 1 1 458.606 4.200 20 0 JIADMO COc1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c(OC)c1OC ZINC001349961721 1066900293 /nfs/dbraw/zinc/90/02/93/1066900293.db2.gz MOICIAMUBOOXHF-FUFSCUOVSA-N 1 1 474.601 4.419 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCN(C(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001492547188 1066916037 /nfs/dbraw/zinc/91/60/37/1066916037.db2.gz QPVGBYAICSDCOW-KCWPFWIISA-N 1 1 468.690 4.206 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCN(C(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001492547190 1066916583 /nfs/dbraw/zinc/91/65/83/1066916583.db2.gz QPVGBYAICSDCOW-YIXXDRMTSA-N 1 1 468.690 4.206 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCN(C(C)C)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001492547211 1066917338 /nfs/dbraw/zinc/91/73/38/1066917338.db2.gz RCAPLCHLMZIRBS-QFIPXVFZSA-N 1 1 468.671 4.060 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(-n4cnc5ccccc54)nc3)CC2)cc1 ZINC001318194477 1066951561 /nfs/dbraw/zinc/95/15/61/1066951561.db2.gz RXBIXRMYSBSLFE-UHFFFAOYSA-N 1 1 454.578 4.146 20 0 JIADMO O=C(CCOc1ccccc1)N1CCC(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)CC1 ZINC001318210410 1066960314 /nfs/dbraw/zinc/96/03/14/1066960314.db2.gz PMOPJMYLNXBYMQ-UHFFFAOYSA-N 1 1 489.620 4.195 20 0 JIADMO COc1ccc(CCC(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)c(OC)c1OC ZINC001318230037 1066973460 /nfs/dbraw/zinc/97/34/60/1066973460.db2.gz QOOMZZXIBNJKMG-UHFFFAOYSA-N 1 1 452.555 4.146 20 0 JIADMO Cc1sc2nc(CCC(=O)Nc3ccc4[nH]c(C[NH+]5CCCCC5)nc4c3)[nH]c(=O)c2c1C ZINC001318261349 1066988732 /nfs/dbraw/zinc/98/87/32/1066988732.db2.gz ASFPUHFPLPHYPB-UHFFFAOYSA-N 1 1 464.595 4.447 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC001318261494 1066989488 /nfs/dbraw/zinc/98/94/88/1066989488.db2.gz FAQCNYYAJGPOKG-LJQANCHMSA-N 1 1 460.582 4.431 20 0 JIADMO C[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1 ZINC001350760592 1066997763 /nfs/dbraw/zinc/99/77/63/1066997763.db2.gz BQXDWKYCYHLPPJ-MECCDNJOSA-N 1 1 458.389 4.129 20 0 JIADMO CCC[C@H](C(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC001350772085 1066999840 /nfs/dbraw/zinc/99/98/40/1066999840.db2.gz PFTPZYQYCFQJLB-LADGPHEKSA-N 1 1 454.014 4.346 20 0 JIADMO C[C@H](NC(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1)c1cc(F)c(Cl)cc1Cl ZINC001318280752 1067000038 /nfs/dbraw/zinc/00/00/38/1067000038.db2.gz MVOSXWXEVGFOJM-HNNXBMFYSA-N 1 1 453.389 4.440 20 0 JIADMO CN(C(=O)OC(C)(C)C)C1(C)CC[NH+]([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)CC1 ZINC001318330085 1067020126 /nfs/dbraw/zinc/02/01/26/1067020126.db2.gz AQHAUEBSBICWDF-NRFANRHFSA-N 1 1 451.567 4.193 20 0 JIADMO COc1ccccc1SCc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC(C)(C)OC ZINC001300683646 1067020854 /nfs/dbraw/zinc/02/08/54/1067020854.db2.gz LXPUVVUXJTXLSY-LJQANCHMSA-N 1 1 473.687 4.315 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](C)c3cc(F)ccc3N3CCC(O)CC3)CC2)cc1 ZINC001318347491 1067026590 /nfs/dbraw/zinc/02/65/90/1067026590.db2.gz HGPVDVILINKCKU-OAQYLSRUSA-N 1 1 468.617 4.074 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001300685743 1067026864 /nfs/dbraw/zinc/02/68/64/1067026864.db2.gz BCTFBWGXADUISY-OKZBNKHCSA-N 1 1 461.701 4.392 20 0 JIADMO Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)cc1 ZINC001318416750 1067039572 /nfs/dbraw/zinc/03/95/72/1067039572.db2.gz ATIJESWTUUSEBA-UHFFFAOYSA-N 1 1 461.595 4.043 20 0 JIADMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1nn(-c2ccccc2F)cc1Br ZINC001318476548 1067047262 /nfs/dbraw/zinc/04/72/62/1067047262.db2.gz HVDJPNIXUACKDE-SFHVURJKSA-N 1 1 471.374 4.068 20 0 JIADMO CNC(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1Cl ZINC001351156370 1067053931 /nfs/dbraw/zinc/05/39/31/1067053931.db2.gz ARQPDMXMOOVOLL-RTBURBONSA-N 1 1 454.983 4.010 20 0 JIADMO 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Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1S(=O)(=O)N1CCCCCC1 ZINC001354226170 1069001283 /nfs/dbraw/zinc/00/12/83/1069001283.db2.gz DJFLHDQNSVROBN-JOCHJYFZSA-N 1 1 455.624 4.020 20 0 JIADMO COc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)ccc1F ZINC001200614244 1069044609 /nfs/dbraw/zinc/04/46/09/1069044609.db2.gz JBDDXWDQIAEGHZ-VWNXMTODSA-N 1 1 454.567 4.171 20 0 JIADMO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849482764 1069051163 /nfs/dbraw/zinc/05/11/63/1069051163.db2.gz SISZWNMICBCCGY-PMACEKPBSA-N 1 1 494.467 4.418 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849482605 1069051836 /nfs/dbraw/zinc/05/18/36/1069051836.db2.gz RWYAJEVUZJTIKJ-NSOVKSMOSA-N 1 1 485.676 4.168 20 0 JIADMO 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 1069052861 /nfs/dbraw/zinc/05/28/61/1069052861.db2.gz YBLXYGTYDYWXAD-MSOLQXFVSA-N 1 1 499.965 4.003 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)cn1 ZINC000849486815 1069052871 /nfs/dbraw/zinc/05/28/71/1069052871.db2.gz BIXSOTCQUQQFEV-DHIUTWEWSA-N 1 1 483.410 4.436 20 0 JIADMO CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849486655 1069053962 /nfs/dbraw/zinc/05/39/62/1069053962.db2.gz LLTSPUBMJGXXJG-DHIUTWEWSA-N 1 1 482.650 4.153 20 0 JIADMO 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 1069054641 /nfs/dbraw/zinc/05/46/41/1069054641.db2.gz QHHGETSSVNDYAN-KCHLEUMXSA-N 1 1 490.648 4.351 20 0 JIADMO CC(=O)c1sc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849489876 1069056364 /nfs/dbraw/zinc/05/63/64/1069056364.db2.gz SYPNQPATTWENDN-WOJBJXKFSA-N 1 1 451.596 4.199 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@@H]2CSC)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001300566483 1069057975 /nfs/dbraw/zinc/05/79/75/1069057975.db2.gz BZVSGTDAZOVACN-IFMALSPDSA-N 1 1 457.688 4.330 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1c(C)coc1C ZINC001300566646 1069058094 /nfs/dbraw/zinc/05/80/94/1069058094.db2.gz DPUMMHHIKIRPOD-UHFFFAOYSA-N 1 1 451.615 4.446 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849493471 1069062777 /nfs/dbraw/zinc/06/27/77/1069062777.db2.gz KFCAIBRYQCGJBL-OALUTQOASA-N 1 1 474.631 4.156 20 0 JIADMO 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 1069062813 /nfs/dbraw/zinc/06/28/13/1069062813.db2.gz XDEHCTMINXAMIP-UYAOXDASSA-N 1 1 484.601 4.094 20 0 JIADMO 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 1069062845 /nfs/dbraw/zinc/06/28/45/1069062845.db2.gz XDEHCTMINXAMIP-AZUAARDMSA-N 1 1 484.601 4.094 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(NC(=O)c3cccs3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849493737 1069064747 /nfs/dbraw/zinc/06/47/47/1069064747.db2.gz YYORAQQDLFUABA-LEWJYISDSA-N 1 1 451.596 4.187 20 0 JIADMO COc1cc([C@H](C)NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1OCC(C)C ZINC000849495476 1069066908 /nfs/dbraw/zinc/06/69/08/1069066908.db2.gz CRNDODJRWBHGMM-WWPVKYPJSA-N 1 1 456.631 4.155 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(COCc3ccccc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849496757 1069068566 /nfs/dbraw/zinc/06/85/66/1069068566.db2.gz BRWUQWUIIXVECL-KAYWLYCHSA-N 1 1 460.622 4.267 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccccc2COCc2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849501098 1069073020 /nfs/dbraw/zinc/07/30/20/1069073020.db2.gz SKWVUSXLCFVYKK-RRPNLBNLSA-N 1 1 460.622 4.267 20 0 JIADMO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849502140 1069074716 /nfs/dbraw/zinc/07/47/16/1069074716.db2.gz PCHMYRKQIAZVQY-RPWUZVMVSA-N 1 1 459.594 4.433 20 0 JIADMO Cc1nc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)sc1Cc1ccc(F)cc1 ZINC000849503144 1069076757 /nfs/dbraw/zinc/07/67/57/1069076757.db2.gz GQOSGFJQGBDOPO-NHCUHLMSSA-N 1 1 455.603 4.368 20 0 JIADMO Cc1ccccc1[C@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC001492574754 1069083863 /nfs/dbraw/zinc/08/38/63/1069083863.db2.gz ZGLPADFFIZQENZ-ISKFKSNPSA-N 1 1 469.674 4.254 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849504689 1069084279 /nfs/dbraw/zinc/08/42/79/1069084279.db2.gz PPXZJMWUTHVEIM-RPWUZVMVSA-N 1 1 463.557 4.264 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000849507416 1069087917 /nfs/dbraw/zinc/08/79/17/1069087917.db2.gz ZGPOMRSSFTWRTM-PKTZIBPZSA-N 1 1 462.560 4.346 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849507909 1069089851 /nfs/dbraw/zinc/08/98/51/1069089851.db2.gz RSAMHBCGZQCDED-BJKOFHAPSA-N 1 1 452.549 4.418 20 0 JIADMO CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849509420 1069090732 /nfs/dbraw/zinc/09/07/32/1069090732.db2.gz YIDOAKQNGIFOMO-VXKWHMMOSA-N 1 1 461.448 4.434 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cn1 ZINC000849508632 1069090782 /nfs/dbraw/zinc/09/07/82/1069090782.db2.gz AHPGOSVECDCTTK-FPOVZHCZSA-N 1 1 485.510 4.365 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cn1 ZINC000849511127 1069094876 /nfs/dbraw/zinc/09/48/76/1069094876.db2.gz NYRBPGSVZKRBSM-SFTDATJTSA-N 1 1 472.420 4.386 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849513298 1069096582 /nfs/dbraw/zinc/09/65/82/1069096582.db2.gz BCUYBCVIQUZPEQ-FCHUYYIVSA-N 1 1 467.614 4.170 20 0 JIADMO 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 1069097311 /nfs/dbraw/zinc/09/73/11/1069097311.db2.gz OEYUYJSMPJODLH-SXSPYAJSSA-N 1 1 480.575 4.489 20 0 JIADMO 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 ZINC000849515353 1069099218 /nfs/dbraw/zinc/09/92/18/1069099218.db2.gz LRZKAZJWOKWGCP-RTWAWAEBSA-N 1 1 474.531 4.386 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2cccc3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849516333 1069100788 /nfs/dbraw/zinc/10/07/88/1069100788.db2.gz JWHKMRRWGUBRQU-JWQCQUIFSA-N 1 1 456.594 4.271 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849516028 1069101791 /nfs/dbraw/zinc/10/17/91/1069101791.db2.gz IKSIOVHPBSNQMD-RTWAWAEBSA-N 1 1 450.549 4.347 20 0 JIADMO Cc1ccccc1-c1cc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)n(Cc2ccccc2)n1 ZINC000849515671 1069102313 /nfs/dbraw/zinc/10/23/13/1069102313.db2.gz HGSNCGSOKFZNGU-DQEYMECFSA-N 1 1 468.605 4.314 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849517502 1069107813 /nfs/dbraw/zinc/10/78/13/1069107813.db2.gz CYMGCXPNLOGRKJ-GOTSBHOMSA-N 1 1 481.641 4.018 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849519454 1069108080 /nfs/dbraw/zinc/10/80/80/1069108080.db2.gz RLVAFJBDDDZCFJ-FTJBHMTQSA-N 1 1 485.632 4.005 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518718 1069110182 /nfs/dbraw/zinc/11/01/82/1069110182.db2.gz OVBDJBYOZHUJSR-NHCUHLMSSA-N 1 1 451.596 4.187 20 0 JIADMO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849522894 1069115965 /nfs/dbraw/zinc/11/59/65/1069115965.db2.gz PWEAMIHLXRHJBS-GKCIPKSASA-N 1 1 458.031 4.418 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCSC[C@@H]2C)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300580960 1069116494 /nfs/dbraw/zinc/11/64/94/1069116494.db2.gz WBWLUOXQFPDPSU-UXHICEINSA-N 1 1 457.688 4.330 20 0 JIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1nc(Br)ccc1Br ZINC001354339594 1069123035 /nfs/dbraw/zinc/12/30/35/1069123035.db2.gz OLOXUQZOKDOHLK-ZDUSSCGKSA-N 1 1 457.166 4.157 20 0 JIADMO COc1ccccc1CCN(C)c1nnc(-c2cccn2C)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001300583013 1069125701 /nfs/dbraw/zinc/12/57/01/1069125701.db2.gz MXVCDFHHRXUTEO-NHCUHLMSSA-N 1 1 450.631 4.092 20 0 JIADMO CCCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000849527952 1069127401 /nfs/dbraw/zinc/12/74/01/1069127401.db2.gz XXCGDVMRWMCEGE-PFATUAPWSA-N 1 1 467.564 4.157 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(-c3cccc(Br)c3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849529316 1069130219 /nfs/dbraw/zinc/13/02/19/1069130219.db2.gz ZEPGLURGCJXDRM-MSOLQXFVSA-N 1 1 489.443 4.154 20 0 JIADMO COc1ccccc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001300591249 1069155039 /nfs/dbraw/zinc/15/50/39/1069155039.db2.gz JZLDETDHUHPPLR-MRXNPFEDSA-N 1 1 487.446 4.174 20 0 JIADMO COc1ccccc1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001300591240 1069155112 /nfs/dbraw/zinc/15/51/12/1069155112.db2.gz JYZFGEOMDRNPMC-AMGIVPHBSA-N 1 1 485.673 4.084 20 0 JIADMO CC(C)Cn1cc([C@H]2N(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CC23CCOCC3)cn1 ZINC000849538043 1069159103 /nfs/dbraw/zinc/15/91/03/1069159103.db2.gz XNFCZSKOIHLTOA-BJKOFHAPSA-N 1 1 454.590 4.023 20 0 JIADMO CC(C)Cn1cc([C@H]2N(C(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)CC23CCOCC3)cn1 ZINC000849538043 1069159121 /nfs/dbraw/zinc/15/91/21/1069159121.db2.gz XNFCZSKOIHLTOA-BJKOFHAPSA-N 1 1 454.590 4.023 20 0 JIADMO COc1ccccc1CCn1c(CC(C)(C)C)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001300594303 1069166030 /nfs/dbraw/zinc/16/60/30/1069166030.db2.gz YKSXNPIDHPFNBP-UHFFFAOYSA-N 1 1 482.717 4.113 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)CC23CCOCC3)cn1 ZINC000849543807 1069177536 /nfs/dbraw/zinc/17/75/36/1069177536.db2.gz VWMVGYOCQCPOEB-RPWUZVMVSA-N 1 1 486.607 4.377 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)[C@@H](c2cnn(C)c2)C1 ZINC000849547161 1069182772 /nfs/dbraw/zinc/18/27/72/1069182772.db2.gz FVTQMRCKSYVAEN-DHIUTWEWSA-N 1 1 481.641 4.166 20 0 JIADMO COc1ccccc1CN(C[C@@H]1CCCO1)c1nnc(C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300600197 1069185829 /nfs/dbraw/zinc/18/58/29/1069185829.db2.gz VRAPZFOVWCVVHV-UPVQGACJSA-N 1 1 455.647 4.149 20 0 JIADMO COc1ccc(C2(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CCCCC2)cc1OC ZINC000849547942 1069186376 /nfs/dbraw/zinc/18/63/76/1069186376.db2.gz LIXCXESAYYMQBS-BJKOFHAPSA-N 1 1 482.669 4.270 20 0 JIADMO CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849548053 1069186867 /nfs/dbraw/zinc/18/68/67/1069186867.db2.gz KHVMGYVFBPGTSX-TZIWHRDSSA-N 1 1 485.032 4.376 20 0 JIADMO Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849551353 1069190994 /nfs/dbraw/zinc/19/09/94/1069190994.db2.gz JBOPJKWPKHBSSP-NHCUHLMSSA-N 1 1 460.557 4.095 20 0 JIADMO COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849552313 1069193732 /nfs/dbraw/zinc/19/37/32/1069193732.db2.gz NSWMSORHUFOWLA-WUMKDDEVSA-N 1 1 473.061 4.377 20 0 JIADMO Cc1cc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2ccccc2Cl)ccc1F ZINC000849554371 1069195810 /nfs/dbraw/zinc/19/58/10/1069195810.db2.gz MNGVJUHOUBFICE-LEEZEASISA-N 1 1 454.977 4.462 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)cn1 ZINC000849556171 1069201158 /nfs/dbraw/zinc/20/11/58/1069201158.db2.gz AORVFKLJTCSSHQ-WOJBJXKFSA-N 1 1 493.409 4.400 20 0 JIADMO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)cn1 ZINC000849556171 1069201178 /nfs/dbraw/zinc/20/11/78/1069201178.db2.gz AORVFKLJTCSSHQ-WOJBJXKFSA-N 1 1 493.409 4.400 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)cn1 ZINC000849556171 1069201189 /nfs/dbraw/zinc/20/11/89/1069201189.db2.gz AORVFKLJTCSSHQ-WOJBJXKFSA-N 1 1 493.409 4.400 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849557177 1069203143 /nfs/dbraw/zinc/20/31/43/1069203143.db2.gz GBHGIIFWKDPFKR-IAGOWNOFSA-N 1 1 473.832 4.389 20 0 JIADMO COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)CCO2 ZINC000849557320 1069203839 /nfs/dbraw/zinc/20/38/39/1069203839.db2.gz YZVJMXKXZXNKNB-AYRHNUGRSA-N 1 1 474.605 4.017 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849557514 1069205248 /nfs/dbraw/zinc/20/52/48/1069205248.db2.gz IEVHHKVYUXGHJR-RPWUZVMVSA-N 1 1 451.615 4.392 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849558718 1069206817 /nfs/dbraw/zinc/20/68/17/1069206817.db2.gz PPOPEFISKJXCKK-TZIWHRDSSA-N 1 1 467.614 4.170 20 0 JIADMO 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 1069209792 /nfs/dbraw/zinc/20/97/92/1069209792.db2.gz BEYSFKAEQFQCNL-HSALFYBXSA-N 1 1 465.425 4.221 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC(C)(C)c2ccccc2Br)[C@@H](c2cnn(C)c2)C1 ZINC000849564788 1069214151 /nfs/dbraw/zinc/21/41/51/1069214151.db2.gz RCFHIJKDMZJVFI-RBUKOAKNSA-N 1 1 461.448 4.091 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Cl)cc2I)[C@H](c2cnn(C)c2)C1 ZINC000849565470 1069214632 /nfs/dbraw/zinc/21/46/32/1069214632.db2.gz WEMYVNDTMSLHDJ-HOTGVXAUSA-N 1 1 486.785 4.131 20 0 JIADMO COc1ccccc1CSc1ccccc1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849565956 1069217343 /nfs/dbraw/zinc/21/73/43/1069217343.db2.gz XQFULCKSKZXYRU-LEWJYISDSA-N 1 1 450.608 4.395 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849568949 1069220095 /nfs/dbraw/zinc/22/00/95/1069220095.db2.gz QRCHQZAFVVJQSR-IZLXSDGUSA-N 1 1 483.660 4.148 20 0 JIADMO Cc1cc(CN(CC(C)C)C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nc(N2CCCCC2)n1 ZINC000849569056 1069220580 /nfs/dbraw/zinc/22/05/80/1069220580.db2.gz RFZNIDQYHWMZAK-CLJLJLNGSA-N 1 1 495.716 4.008 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849575271 1069227248 /nfs/dbraw/zinc/22/72/48/1069227248.db2.gz ZSSXPULVUOIZDH-RPWUZVMVSA-N 1 1 492.495 4.322 20 0 JIADMO CCOCCOc1ccc(Br)cc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849575276 1069227391 /nfs/dbraw/zinc/22/73/91/1069227391.db2.gz JTGHUEVCZPAVQE-WOJBJXKFSA-N 1 1 493.446 4.051 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCc3c(Br)ccc(Cl)c3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849578241 1069228945 /nfs/dbraw/zinc/22/89/45/1069228945.db2.gz LAWBMVJIFLUMAP-QZTJIDSGSA-N 1 1 479.850 4.235 20 0 JIADMO 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 1069229235 /nfs/dbraw/zinc/22/92/35/1069229235.db2.gz LKMFFSDJZNHTCW-HBMCJLEFSA-N 1 1 465.411 4.403 20 0 JIADMO COc1ccccc1CN1CCN(c2nnc(CC(C)C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300615739 1069229726 /nfs/dbraw/zinc/22/97/26/1069229726.db2.gz XIKOHMFHHFJLNH-PSWAGMNNSA-N 1 1 482.717 4.175 20 0 JIADMO CCCOc1ccc(CN(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849577740 1069230084 /nfs/dbraw/zinc/23/00/84/1069230084.db2.gz SKIVLSVHIIKOHB-SXOMAYOGSA-N 1 1 460.622 4.473 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)cn1 ZINC000849579205 1069230801 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ZINC000849588413 1069239940 /nfs/dbraw/zinc/23/99/40/1069239940.db2.gz XIKKZCRDVUEDGV-SFTDATJTSA-N 1 1 492.649 4.189 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849588671 1069240575 /nfs/dbraw/zinc/24/05/75/1069240575.db2.gz MXMWVPHHYYMNSO-DOTOQJQBSA-N 1 1 462.982 4.184 20 0 JIADMO Cc1nc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)sc1Cc1ccc(Cl)cc1F ZINC000849590440 1069240918 /nfs/dbraw/zinc/24/09/18/1069240918.db2.gz ZCFTXGRWISARAF-QZTJIDSGSA-N 1 1 461.994 4.242 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N[C@H](C)c2ccc(Br)cc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849590864 1069243185 /nfs/dbraw/zinc/24/31/85/1069243185.db2.gz ANBWYZHTCCPCNM-NIKGAXFTSA-N 1 1 451.384 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849592228 1069243511 /nfs/dbraw/zinc/24/35/11/1069243511.db2.gz NVCUPKGLWVHHER-KMDXXIMOSA-N 1 1 459.034 4.172 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849592223 1069243572 /nfs/dbraw/zinc/24/35/72/1069243572.db2.gz NSRJLKYCNLGCCP-MSOLQXFVSA-N 1 1 494.543 4.290 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(F)c(Br)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849592201 1069243818 /nfs/dbraw/zinc/24/38/18/1069243818.db2.gz KERUOGCBQGFBGI-CABCVRRESA-N 1 1 457.775 4.428 20 0 JIADMO COC(=O)C1(NC(=S)Nc2cc(F)cc(F)c2)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001200674750 1069244426 /nfs/dbraw/zinc/24/44/26/1069244426.db2.gz QMECYXRMIOBWNH-UHFFFAOYSA-N 1 1 453.942 4.112 20 0 JIADMO 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 1069244936 /nfs/dbraw/zinc/24/49/36/1069244936.db2.gz KIVLMEDDUYEXGL-VXKWHMMOSA-N 1 1 499.631 4.305 20 0 JIADMO 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 1069245779 /nfs/dbraw/zinc/24/57/79/1069245779.db2.gz UPWMVKRAQRDGGG-MSOLQXFVSA-N 1 1 464.035 4.300 20 0 JIADMO 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 ZINC000849595646 1069250687 /nfs/dbraw/zinc/25/06/87/1069250687.db2.gz JTQUSZFEDIPBJZ-FJTGNWTPSA-N 1 1 478.559 4.241 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849597356 1069251620 /nfs/dbraw/zinc/25/16/20/1069251620.db2.gz SNSHPJCRCBUWHC-RBUKOAKNSA-N 1 1 478.494 4.216 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849598497 1069253035 /nfs/dbraw/zinc/25/30/35/1069253035.db2.gz ZZVGBNACGFJYPY-RTBURBONSA-N 1 1 493.877 4.498 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)[C@H](c2cnn(C)c2)C1 ZINC000849598021 1069254113 /nfs/dbraw/zinc/25/41/13/1069254113.db2.gz WWZYYRGOQJYTNM-FTJBHMTQSA-N 1 1 485.632 4.005 20 0 JIADMO 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 ZINC000849599206 1069255828 /nfs/dbraw/zinc/25/58/28/1069255828.db2.gz LSKRCFDQYYGXOC-DHIUTWEWSA-N 1 1 469.630 4.240 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NC2(c3ccccc3Br)CCCCC2)cn1 ZINC000849598968 1069256016 /nfs/dbraw/zinc/25/60/16/1069256016.db2.gz JHKXTUGVUHIHAQ-MOPGFXCFSA-N 1 1 459.432 4.194 20 0 JIADMO CCCCS(=O)(=O)Nc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC001200678355 1069256680 /nfs/dbraw/zinc/25/66/80/1069256680.db2.gz LBQIABFTLYFZQT-JOCHJYFZSA-N 1 1 450.649 4.395 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849601302 1069257709 /nfs/dbraw/zinc/25/77/09/1069257709.db2.gz JGJJYDIUVWPXAK-RRPNLBNLSA-N 1 1 456.634 4.257 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)[C@@H](c2cnn(C)c2)C1 ZINC000849600756 1069257733 /nfs/dbraw/zinc/25/77/33/1069257733.db2.gz GDBBUUVNIFZGCV-QZTJIDSGSA-N 1 1 460.504 4.077 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cc(-c3cccs3)nn2Cc2ccccc2)cn1 ZINC000849602358 1069257958 /nfs/dbraw/zinc/25/79/58/1069257958.db2.gz 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COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC[C@@H]2C1 ZINC001164852332 720844518 /nfs/dbraw/zinc/84/45/18/720844518.db2.gz KBSCTUAPRPVITE-TZIWHRDSSA-N 1 1 451.945 4.120 20 0 JIADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746615 720848219 /nfs/dbraw/zinc/84/82/19/720848219.db2.gz POZMXKDVUSHHJY-SXWKCWPCSA-N 1 1 499.997 4.313 20 0 JIADMO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C ZINC001164752038 720852932 /nfs/dbraw/zinc/85/29/32/720852932.db2.gz SSMGAKOOHGZFHB-PQNGQFLHSA-N 1 1 478.044 4.385 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)CC[C@H]2C1 ZINC001164854467 720853455 /nfs/dbraw/zinc/85/34/55/720853455.db2.gz KBEUTYMRLGFXNN-WMZHIEFXSA-N 1 1 452.986 4.124 20 0 JIADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751215 720857591 /nfs/dbraw/zinc/85/75/91/720857591.db2.gz QRTLTDZGFLGKHF-PLMTUMEDSA-N 1 1 472.971 4.446 20 0 JIADMO 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COc1cccc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164753004 720879938 /nfs/dbraw/zinc/87/99/38/720879938.db2.gz OGEQSJUNRXHQQF-UFHPHHKVSA-N 1 1 458.606 4.394 20 0 JIADMO Clc1nnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2sccc21 ZINC001164754082 720880130 /nfs/dbraw/zinc/88/01/30/720880130.db2.gz QZWGMWOSDOHEEZ-CYFREDJKSA-N 1 1 470.042 4.495 20 0 JIADMO COc1cccc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164753005 720880261 /nfs/dbraw/zinc/88/02/61/720880261.db2.gz OGEQSJUNRXHQQF-YWEHKCAJSA-N 1 1 458.606 4.394 20 0 JIADMO Clc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2c(n1)CCC2 ZINC001164751683 720880716 /nfs/dbraw/zinc/88/07/16/720880716.db2.gz LXNHDDCVBHZWOW-HFZDXXHNSA-N 1 1 453.030 4.374 20 0 JIADMO Cc1nc2cc(F)ccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755262 720880797 /nfs/dbraw/zinc/88/07/97/720880797.db2.gz VNASTVASFNHTLC-AJTFRIOCSA-N 1 1 461.585 4.227 20 0 JIADMO c1ccc(Oc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164755309 720880841 /nfs/dbraw/zinc/88/08/41/720880841.db2.gz WLEHLHKFICLPFT-RBJSKKJNSA-N 1 1 471.605 4.419 20 0 JIADMO Cc1nc2cc(F)ccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755264 720880985 /nfs/dbraw/zinc/88/09/85/720880985.db2.gz VNASTVASFNHTLC-CUNXSJBXSA-N 1 1 461.585 4.227 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(-c4ccccc4)nc(-c4cccs4)n3)CC[C@H]2C1 ZINC001164853881 720881463 /nfs/dbraw/zinc/88/14/63/720881463.db2.gz DKHINTVLAOULKF-UNMCSNQZSA-N 1 1 450.608 4.046 20 0 JIADMO Clc1cc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cn1 ZINC001164756849 720882893 /nfs/dbraw/zinc/88/28/93/720882893.db2.gz RNNGNCIYCJXJIM-GJZUVCINSA-N 1 1 464.013 4.433 20 0 JIADMO Clc1nc2ccccc2nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754463 720884372 /nfs/dbraw/zinc/88/43/72/720884372.db2.gz IZUJCAJDSQQTBL-QFQXNSOFSA-N 1 1 464.013 4.433 20 0 JIADMO Clc1cc(C2CC2)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755020 720891806 /nfs/dbraw/zinc/89/18/06/720891806.db2.gz KHMZRHXQDPTNCC-PXDATVDWSA-N 1 1 454.018 4.158 20 0 JIADMO Clc1ccc2c(cnnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164750926 720892731 /nfs/dbraw/zinc/89/27/31/720892731.db2.gz CGSWORYYIFLNLA-NVQXNPDNSA-N 1 1 464.013 4.433 20 0 JIADMO COc1cc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1OC ZINC001164754568 720893421 /nfs/dbraw/zinc/89/34/21/720893421.db2.gz JLUWEBPWLYDZRB-FUFSCUOVSA-N 1 1 488.632 4.402 20 0 JIADMO COc1cc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1OC ZINC001164754568 720893424 /nfs/dbraw/zinc/89/34/24/720893424.db2.gz JLUWEBPWLYDZRB-FUFSCUOVSA-N 1 1 488.632 4.402 20 0 JIADMO CCOc1ccc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750735 720894534 /nfs/dbraw/zinc/89/45/34/720894534.db2.gz BSJXASRWAKUSID-OFVILXPXSA-N 1 1 457.018 4.284 20 0 JIADMO CC(C)(C)Oc1cccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757127 720894683 /nfs/dbraw/zinc/89/46/83/720894683.db2.gz STNGREVHRDVACM-HOFKKMOUSA-N 1 1 450.627 4.409 20 0 JIADMO Nc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164752532 720895362 /nfs/dbraw/zinc/89/53/62/720895362.db2.gz DXJTVKGHKDVNSA-WMZHIEFXSA-N 1 1 477.987 4.012 20 0 JIADMO COc1cc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2cc1OC ZINC001164757832 720895694 /nfs/dbraw/zinc/89/56/94/720895694.db2.gz VUEJIVALBAQHBB-GIGWZHCTSA-N 1 1 488.632 4.402 20 0 JIADMO c1csc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)c1 ZINC001164758442 720896363 /nfs/dbraw/zinc/89/63/63/720896363.db2.gz YCRFGNTUQQHLLS-NVQXNPDNSA-N 1 1 461.635 4.355 20 0 JIADMO CCCN(CCC)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164757485 720898574 /nfs/dbraw/zinc/89/85/74/720898574.db2.gz VDLHZUYJKTXXOU-LSYYVWMOSA-N 1 1 478.685 4.253 20 0 JIADMO CCCN(CCC)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164757484 720898932 /nfs/dbraw/zinc/89/89/32/720898932.db2.gz VDLHZUYJKTXXOU-LEAFIULHSA-N 1 1 478.685 4.253 20 0 JIADMO CC(C)(C)c1nc2[nH]ccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755708 720903217 /nfs/dbraw/zinc/90/32/17/720903217.db2.gz NBRUOAVBFFJSEK-DWACAAAGSA-N 1 1 474.653 4.406 20 0 JIADMO Clc1nc2c(Cl)nccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164746449 720907437 /nfs/dbraw/zinc/90/74/37/720907437.db2.gz AEPDAODDWQNENP-DFBJGRDBSA-N 1 1 499.446 4.482 20 0 JIADMO COc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164750711 720910924 /nfs/dbraw/zinc/91/09/24/720910924.db2.gz KDOFMIAVNIHLCX-ABYGYWHVSA-N 1 1 485.632 4.302 20 0 JIADMO CCCSc1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164747084 720919748 /nfs/dbraw/zinc/91/97/48/720919748.db2.gz BWDHSKVESSYOIA-DHLKQENFSA-N 1 1 453.656 4.129 20 0 JIADMO CC(C)Sc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164751423 720922323 /nfs/dbraw/zinc/92/23/23/720922323.db2.gz MIIBERKDCWGXQA-RDGATRHJSA-N 1 1 453.656 4.127 20 0 JIADMO Cc1nc(-c2ccccn2)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164755186 720923759 /nfs/dbraw/zinc/92/37/59/720923759.db2.gz ZJQGVNRACUXPFX-IRPSRAIASA-N 1 1 484.648 4.306 20 0 JIADMO FC(F)(Oc1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753645 720932116 /nfs/dbraw/zinc/93/21/16/720932116.db2.gz RWHNUOZRYXMDSF-NZQKXSOJSA-N 1 1 478.971 4.310 20 0 JIADMO CCCSc1ncnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1OC ZINC001164753703 720937104 /nfs/dbraw/zinc/93/71/04/720937104.db2.gz SCBSPJLKFZCCLG-GJZUVCINSA-N 1 1 483.682 4.137 20 0 JIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)[C@H]2C ZINC001164861880 720944099 /nfs/dbraw/zinc/94/40/99/720944099.db2.gz URTBBZNZXJKIDE-SFHVURJKSA-N 1 1 466.033 4.264 20 0 JIADMO c1ncn2c1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C[C@H](COCC1CC1)C2 ZINC001164757292 720979971 /nfs/dbraw/zinc/97/99/71/720979971.db2.gz NXNGRZAKAMBMNN-FQEVSTJZSA-N 1 1 492.693 4.425 20 0 JIADMO CCOC(=O)c1ccc(C(F)(F)N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c(Cl)n1 ZINC001164863571 720994202 /nfs/dbraw/zinc/99/42/02/720994202.db2.gz WPDVNNJHCNLBOK-AWEZNQCLSA-N 1 1 455.937 4.075 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(C)C[C@H](COCC4CC4)[C@@H]3CC2)nc1 ZINC001164859468 721030649 /nfs/dbraw/zinc/03/06/49/721030649.db2.gz IJFUOOUAVYYCBU-KEVKATSASA-N 1 1 468.686 4.366 20 0 JIADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866543 721068397 /nfs/dbraw/zinc/06/83/97/721068397.db2.gz FGFWTRYPPUEYDD-NHCUHLMSSA-N 1 1 471.939 4.217 20 0 JIADMO Clc1cc2nc(Cl)c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2cc1Cl ZINC001164866054 721068811 /nfs/dbraw/zinc/06/88/11/721068811.db2.gz CCYRNMZRNMZBLU-GJZGRUSLSA-N 1 1 464.784 4.465 20 0 JIADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868916 721074456 /nfs/dbraw/zinc/07/44/56/721074456.db2.gz RDDATCBIQMESPO-DLBZAZTESA-N 1 1 480.346 4.356 20 0 JIADMO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864258 721081515 /nfs/dbraw/zinc/08/15/15/721081515.db2.gz FEVZZIAPXOUSFL-RPBOFIJWSA-N 1 1 464.573 4.080 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4nc(Cl)c5cc(Cl)ccc5n4)C[C@H]3C2)cn1 ZINC001164763631 721094833 /nfs/dbraw/zinc/09/48/33/721094833.db2.gz GHNPOFBULHDOPR-HUUCEWRRSA-N 1 1 467.351 4.173 20 0 JIADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863500 721109724 /nfs/dbraw/zinc/10/97/24/721109724.db2.gz CKPYGFDDPSJNSJ-WOJBJXKFSA-N 1 1 471.939 4.217 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)Oc4ccc5nc(Cl)c(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164764176 721125398 /nfs/dbraw/zinc/12/53/98/721125398.db2.gz HHPZMBUEAXIAOK-GJZGRUSLSA-N 1 1 483.350 4.053 20 0 JIADMO Fc1ccc(-c2nc(Cl)cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1Cl ZINC001164876374 721177699 /nfs/dbraw/zinc/17/76/99/721177699.db2.gz LYWFBXDOHRHPLV-QZTJIDSGSA-N 1 1 474.367 4.464 20 0 JIADMO c1ccc(COc2ccc3c(c2)ncnc3N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164873564 721183031 /nfs/dbraw/zinc/18/30/31/721183031.db2.gz IPZBJBZQZPERHO-ILBGXUMGSA-N 1 1 467.573 4.084 20 0 JIADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164867146 721188609 /nfs/dbraw/zinc/18/86/09/721188609.db2.gz DZDZWMIKGKEJFO-RBBKRZOGSA-N 1 1 465.985 4.359 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(-c5ccc(Cl)nn5)cc4)C[C@H]3C2)cn1 ZINC001164772849 721205531 /nfs/dbraw/zinc/20/55/31/721205531.db2.gz VMYLHVRPPZTHLX-RTBURBONSA-N 1 1 458.944 4.034 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC3)CN(c3ccccn3)CCO4)c2c1C ZINC001164873059 721219625 /nfs/dbraw/zinc/21/96/25/721219625.db2.gz PNLUDTXBZPOMOR-UHFFFAOYSA-N 1 1 478.666 4.175 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5cccc(Cl)c5)nc5c4CCCC5)C[C@@H]3C2)cn1 ZINC001164772845 721223499 /nfs/dbraw/zinc/22/34/99/721223499.db2.gz VMCCMKOYZJDQJE-SFTDATJTSA-N 1 1 463.029 4.368 20 0 JIADMO CCN1C(=O)[C@]2(CC[C@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@H]32)N=C1C ZINC001164872546 721233439 /nfs/dbraw/zinc/23/34/39/721233439.db2.gz MTQJRBFHRZXPLR-LPOPLRKUSA-N 1 1 488.661 4.285 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@@H]5C[C@H](COc6ccccn6)C[C@@H]54)ccc3C2)cc1 ZINC001164881027 721312026 /nfs/dbraw/zinc/31/20/26/721312026.db2.gz UCDJXNZOAKNYBN-ZSQFBXSQSA-N 1 1 456.590 4.098 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3cc(C(=O)OC)c(-c4cnn(C)c4)nc3CC2)nc1 ZINC001164778943 721324626 /nfs/dbraw/zinc/32/46/26/721324626.db2.gz RVEFUXVDHSDXPQ-RUZDIDTESA-N 1 1 488.636 4.206 20 0 JIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cnc(Cl)nc1-c1cn(C)c3ccccc13)CC2 ZINC001164878302 721325863 /nfs/dbraw/zinc/32/58/63/721325863.db2.gz NFGNPGOJDXGWAM-UHFFFAOYSA-N 1 1 474.943 4.468 20 0 JIADMO CN(C)C1=[NH+]OC2(C1)CCN([C@]1(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc31)CC2 ZINC001164877659 721326022 /nfs/dbraw/zinc/32/60/22/721326022.db2.gz KUVOAGKVBMAAPZ-HSZRJFAPSA-N 1 1 493.414 4.052 20 0 JIADMO COc1ccc2nc(Cl)nc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164776613 721332163 /nfs/dbraw/zinc/33/21/63/721332163.db2.gz GXUOHTJLERQTGG-XMMPIXPASA-N 1 1 471.989 4.016 20 0 JIADMO COc1cc2c(cc1Cl)ncnc2N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779380 721351555 /nfs/dbraw/zinc/35/15/55/721351555.db2.gz SVRXYQFACWAIHU-DEOSSOPVSA-N 1 1 471.989 4.016 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccc(F)cc4)ncn3)C2)C1 ZINC001164780783 721368043 /nfs/dbraw/zinc/36/80/43/721368043.db2.gz HIZBOCZTDJWETJ-RUZDIDTESA-N 1 1 451.546 4.007 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(-c4ccc(F)cc4)ncn3)C2)C1 ZINC001164780783 721368048 /nfs/dbraw/zinc/36/80/48/721368048.db2.gz HIZBOCZTDJWETJ-RUZDIDTESA-N 1 1 451.546 4.007 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)cc(OCc4ccccc4)n3)C2)C1 ZINC001164787048 721371968 /nfs/dbraw/zinc/37/19/68/721371968.db2.gz XTTDFIYAYNSXCU-MHZLTWQESA-N 1 1 477.609 4.088 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)cc(OCc4ccccc4)n3)C2)C1 ZINC001164787048 721371973 /nfs/dbraw/zinc/37/19/73/721371973.db2.gz XTTDFIYAYNSXCU-MHZLTWQESA-N 1 1 477.609 4.088 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3c(F)ccc4c(Cl)ncnc43)C2)C1 ZINC001164786971 721376781 /nfs/dbraw/zinc/37/67/81/721376781.db2.gz WCBXDZXENDFINY-QHCPKHFHSA-N 1 1 459.953 4.146 20 0 JIADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164782825 721397469 /nfs/dbraw/zinc/39/74/69/721397469.db2.gz FVZAWQMVAYKEDK-PMACEKPBSA-N 1 1 473.602 4.242 20 0 JIADMO Cc1ccc(-c2csc3ncnc(N4CC[C@]5(C4)CCC[C@H](CN4CC[NH+](C)CC4)O5)c23)cc1 ZINC001164883504 721404064 /nfs/dbraw/zinc/40/40/64/721404064.db2.gz AHIJWSYBGQEYSY-AMGIVPHBSA-N 1 1 477.678 4.432 20 0 JIADMO C[Si](C)(C)CCOCn1ccc2c1nc(Cl)nc2N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164783241 721418580 /nfs/dbraw/zinc/41/85/80/721418580.db2.gz HOEVJGNELPVBES-IAGOWNOFSA-N 1 1 491.137 4.422 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccsc5)nc5ccccc54)C3)O2)CC1 ZINC001164899290 721436405 /nfs/dbraw/zinc/43/64/05/721436405.db2.gz YGPOTVSMZYXWHD-QFQXNSOFSA-N 1 1 463.651 4.124 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccsc5)nc5ccccc54)C3)O2)CC1 ZINC001164899282 721436639 /nfs/dbraw/zinc/43/66/39/721436639.db2.gz YGPOTVSMZYXWHD-LVXARBLLSA-N 1 1 463.651 4.124 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(-c5ccc(Cl)nn5)cc4)C3)O2)CC1 ZINC001164890292 721436890 /nfs/dbraw/zinc/43/68/90/721436890.db2.gz DEMWRUYNMMEOIU-QPPBQGQZSA-N 1 1 492.014 4.107 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(SCc5ccccc5)ccn4)C3)O2)CC1 ZINC001164895772 721439428 /nfs/dbraw/zinc/43/94/28/721439428.db2.gz PIQQMLVRNJDADE-BVAGGSTKSA-N 1 1 452.668 4.139 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc(-c5ccc(F)c(Cl)c5)n4)C3)O2)CC1 ZINC001164896171 721445506 /nfs/dbraw/zinc/44/55/06/721445506.db2.gz QTWUHQDZGYDNSI-KOSHJBKYSA-N 1 1 494.442 4.355 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)nc4C(F)(F)F)C3)O2)CC1 ZINC001164888687 721445801 /nfs/dbraw/zinc/44/58/01/721445801.db2.gz AJROKAURMDLZBS-DNVCBOLYSA-N 1 1 482.925 4.064 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3ccc(F)cc31)CC2 ZINC001164783292 721452478 /nfs/dbraw/zinc/45/24/78/721452478.db2.gz BJOLSEXINLAYAD-LJQANCHMSA-N 1 1 462.997 4.156 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3cccc(F)c31)CC2 ZINC001164789354 721456066 /nfs/dbraw/zinc/45/60/66/721456066.db2.gz UWWWUPHRLVGYNQ-GOSISDBHSA-N 1 1 462.997 4.156 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164787819 721457795 /nfs/dbraw/zinc/45/77/95/721457795.db2.gz SKZOZOJTFNSQJT-QGZVFWFLSA-N 1 1 480.987 4.295 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001164787610 721459832 /nfs/dbraw/zinc/45/98/32/721459832.db2.gz RQAHXGDJAFAELV-GOSISDBHSA-N 1 1 483.003 4.495 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(SC)nc3ccccc31)CC2 ZINC001164790151 721461390 /nfs/dbraw/zinc/46/13/90/721461390.db2.gz ZROWHJLVAYQMPK-HXUWFJFHSA-N 1 1 456.656 4.086 20 0 JIADMO CC(C)C(=O)N1CC[C@@H]2CN(c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)CC[C@H]21 ZINC001164893728 721465273 /nfs/dbraw/zinc/46/52/73/721465273.db2.gz ULJUPSVQUGIHFU-TZIWHRDSSA-N 1 1 481.710 4.495 20 0 JIADMO CC(C)C(=O)N1CC[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@@H](C)C5)CC[C@H]21 ZINC001164888224 721465483 /nfs/dbraw/zinc/46/54/83/721465483.db2.gz FHJURHYRJSLRAP-SFHLNBCPSA-N 1 1 481.710 4.495 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@@H](COCc3ccccn3)C2)nc1 ZINC001164892231 721470354 /nfs/dbraw/zinc/47/03/54/721470354.db2.gz PNWTXTFTJDRBIP-RCZVLFRGSA-N 1 1 460.626 4.463 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164790611 721471399 /nfs/dbraw/zinc/47/13/99/721471399.db2.gz SFOOWRFRNALBPO-NRFANRHFSA-N 1 1 494.076 4.424 20 0 JIADMO CCc1nc(Cl)nc(Cl)c1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164791709 721473355 /nfs/dbraw/zinc/47/33/55/721473355.db2.gz XUYDXTIXMHTBRK-QGZVFWFLSA-N 1 1 457.446 4.080 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)n1 ZINC001164793953 721487581 /nfs/dbraw/zinc/48/75/81/721487581.db2.gz YRMYEWHFSDVJOA-CJAUYULYSA-N 1 1 485.629 4.216 20 0 JIADMO CC[C@@H]1C(=O)Nc2cnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc2N1C1CCCC1 ZINC001164792497 721495281 /nfs/dbraw/zinc/49/52/81/721495281.db2.gz PTSUTTZQLDIMAU-XMMPIXPASA-N 1 1 489.668 4.232 20 0 JIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)CC[N@H+]3C2)c1 ZINC001164900552 721523737 /nfs/dbraw/zinc/52/37/37/721523737.db2.gz SFZXVEPOKLDPHK-IFMALSPDSA-N 1 1 479.987 4.127 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3ccccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164800619 721530932 /nfs/dbraw/zinc/53/09/32/721530932.db2.gz CSSLYGGQRGZJHB-VAMGGRTRSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3ccccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164800619 721530936 /nfs/dbraw/zinc/53/09/36/721530936.db2.gz CSSLYGGQRGZJHB-VAMGGRTRSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ncc(Cl)nc3c2)[C@@H]2CCCO[C@H]12 ZINC001164809577 721538429 /nfs/dbraw/zinc/53/84/29/721538429.db2.gz VLRDZIATIRGSTD-SJBKTWHCSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ncc(Cl)nc3c2)[C@@H]2CCCO[C@H]12 ZINC001164809577 721538432 /nfs/dbraw/zinc/53/84/32/721538432.db2.gz VLRDZIATIRGSTD-SJBKTWHCSA-N 1 1 459.928 4.091 20 0 JIADMO CN(C)C(=O)[C@@H]1CC12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164901116 721570132 /nfs/dbraw/zinc/57/01/32/721570132.db2.gz BZBLODQSSRNZRD-IBGZPJMESA-N 1 1 467.683 4.251 20 0 JIADMO CSc1cnc(Cl)c(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164806709 721573945 /nfs/dbraw/zinc/57/39/45/721573945.db2.gz REVNZIKXWJMEKF-CEXWTWQISA-N 1 1 454.974 4.265 20 0 JIADMO CSc1cnc(Cl)c(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164806709 721573947 /nfs/dbraw/zinc/57/39/47/721573947.db2.gz REVNZIKXWJMEKF-CEXWTWQISA-N 1 1 454.974 4.265 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164802233 721575581 /nfs/dbraw/zinc/57/55/81/721575581.db2.gz HSLIUPVWYVNVTQ-NNMXDRDESA-N 1 1 486.954 4.000 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164802233 721575582 /nfs/dbraw/zinc/57/55/82/721575582.db2.gz HSLIUPVWYVNVTQ-NNMXDRDESA-N 1 1 486.954 4.000 20 0 JIADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164804007 721576679 /nfs/dbraw/zinc/57/66/79/721576679.db2.gz KQRYSUSXLRFWCP-ZDULRJDPSA-N 1 1 472.637 4.272 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(F)cc2)[C@H]2CCCO[C@@H]12 ZINC001164805737 721579564 /nfs/dbraw/zinc/57/95/64/721579564.db2.gz LSQKCEJKIGQIRH-KSEOMHKRSA-N 1 1 469.948 4.325 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(F)cc2)[C@H]2CCCO[C@@H]12 ZINC001164805737 721579567 /nfs/dbraw/zinc/57/95/67/721579567.db2.gz LSQKCEJKIGQIRH-KSEOMHKRSA-N 1 1 469.948 4.325 20 0 JIADMO COc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164810117 721590216 /nfs/dbraw/zinc/59/02/16/721590216.db2.gz ULMXYYMDCDEFBU-ACIOBRDBSA-N 1 1 481.984 4.194 20 0 JIADMO COc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164810117 721590219 /nfs/dbraw/zinc/59/02/19/721590219.db2.gz ULMXYYMDCDEFBU-ACIOBRDBSA-N 1 1 481.984 4.194 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nnc(Cl)c2N2CCCCC2)[C@@H]2CCCO[C@H]12 ZINC001164799252 721592140 /nfs/dbraw/zinc/59/21/40/721592140.db2.gz ACCAKAVVQUPUIE-OPYAIIAOSA-N 1 1 477.440 4.037 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nnc(Cl)c2N2CCCCC2)[C@@H]2CCCO[C@H]12 ZINC001164799252 721592142 /nfs/dbraw/zinc/59/21/42/721592142.db2.gz ACCAKAVVQUPUIE-OPYAIIAOSA-N 1 1 477.440 4.037 20 0 JIADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908312 721692265 /nfs/dbraw/zinc/69/22/65/721692265.db2.gz YHUXRHVDKQQGAG-NRFANRHFSA-N 1 1 498.956 4.408 20 0 JIADMO CCOC(=O)c1cc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2s1 ZINC001164904278 721715773 /nfs/dbraw/zinc/71/57/73/721715773.db2.gz BFQQLDXZUAXFIP-QFIPXVFZSA-N 1 1 473.549 4.001 20 0 JIADMO COc1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164907670 721723331 /nfs/dbraw/zinc/72/33/31/721723331.db2.gz SLTNNMNXRBPBDN-XMMPIXPASA-N 1 1 451.521 4.285 20 0 JIADMO CC(C)C(=O)N1CCC[C@@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001165008034 721726739 /nfs/dbraw/zinc/72/67/39/721726739.db2.gz IVQYILXFKWJXST-SANMLTNESA-N 1 1 467.683 4.393 20 0 JIADMO FC1(F)CCN(c2ccc(-c3ccc4c(c3)OCCCO4)nn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164909833 721728502 /nfs/dbraw/zinc/72/85/02/721728502.db2.gz DWLMJLGOJDWEQC-AREMUKBSSA-N 1 1 493.558 4.438 20 0 JIADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164908818 721751279 /nfs/dbraw/zinc/75/12/79/721751279.db2.gz LAKUHBNHBCRWSF-UHFFFAOYSA-N 1 1 454.958 4.403 20 0 JIADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164908818 721751289 /nfs/dbraw/zinc/75/12/89/721751289.db2.gz LAKUHBNHBCRWSF-UHFFFAOYSA-N 1 1 454.958 4.403 20 0 JIADMO Cc1cc2nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc(N3CCOCC3)c2s1 ZINC001164910117 721757502 /nfs/dbraw/zinc/75/75/02/721757502.db2.gz MYBATJBDHLJMOT-UHFFFAOYSA-N 1 1 490.633 4.019 20 0 JIADMO Cc1cc2nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc(N3CCOCC3)c2s1 ZINC001164910117 721757506 /nfs/dbraw/zinc/75/75/06/721757506.db2.gz MYBATJBDHLJMOT-UHFFFAOYSA-N 1 1 490.633 4.019 20 0 JIADMO COC(=O)C[C@H](c1ccnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1)C1CC1 ZINC001164910754 721759709 /nfs/dbraw/zinc/75/97/09/721759709.db2.gz KTAHGSSANFRPML-VWLOTQADSA-N 1 1 460.578 4.321 20 0 JIADMO COC(=O)C[C@H](c1ccnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1)C1CC1 ZINC001164910754 721759716 /nfs/dbraw/zinc/75/97/16/721759716.db2.gz KTAHGSSANFRPML-VWLOTQADSA-N 1 1 460.578 4.321 20 0 JIADMO Clc1ccc2c(c1)nc(Cl)cc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912749 721777554 /nfs/dbraw/zinc/77/75/54/721777554.db2.gz PJJNHXIMGIIROJ-QHCPKHFHSA-N 1 1 459.377 4.044 20 0 JIADMO Clc1ccc2c(c1)nc(Cl)cc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912749 721777556 /nfs/dbraw/zinc/77/75/56/721777556.db2.gz PJJNHXIMGIIROJ-QHCPKHFHSA-N 1 1 459.377 4.044 20 0 JIADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027372 721811849 /nfs/dbraw/zinc/81/18/49/721811849.db2.gz UKYWKWBHJOAJDZ-JQHSSLGASA-N 1 1 476.046 4.161 20 0 JIADMO CCOC(Cc1c(Cl)ncnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1)OCC ZINC001165018905 721812361 /nfs/dbraw/zinc/81/23/61/721812361.db2.gz AUTRZPZJVVNLKS-YUXAGFNASA-N 1 1 474.049 4.204 20 0 JIADMO COc1cc2nc(Cl)c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc2cc1OC ZINC001165023542 721813337 /nfs/dbraw/zinc/81/33/37/721813337.db2.gz HTUCCMBMYOITSY-CDXJDZJCSA-N 1 1 468.001 4.432 20 0 JIADMO 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 721815506 /nfs/dbraw/zinc/81/55/06/721815506.db2.gz PMYVOPFLYVBJFM-DUXKGJEZSA-N 1 1 456.034 4.395 20 0 JIADMO COc1ccc(OC)c(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)c1 ZINC001165026776 721827194 /nfs/dbraw/zinc/82/71/94/721827194.db2.gz QFMJMBGJCNGVIH-CYSDGLOUSA-N 1 1 459.594 4.293 20 0 JIADMO COC(=O)c1cc(C(F)(F)N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)cnc1Cl ZINC001165021294 721839910 /nfs/dbraw/zinc/83/99/10/721839910.db2.gz KYDISFATOLIEQR-UHFFFAOYSA-N 1 1 483.943 4.185 20 0 JIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)CC1 ZINC001165029798 721844768 /nfs/dbraw/zinc/84/47/68/721844768.db2.gz DNSKAIZVSUGRNO-UHFFFAOYSA-N 1 1 493.942 4.448 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 ZINC001165052554 721999520 /nfs/dbraw/zinc/99/95/20/721999520.db2.gz UHIALTJZHLCWSG-UHFFFAOYSA-N 1 1 485.605 4.347 20 0 JIADMO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2ncnc4c2CC[N@H+](Cc2ccccc2)C4)C3)n1 ZINC001164959743 722026238 /nfs/dbraw/zinc/02/62/38/722026238.db2.gz IIESELOQKRFRDD-DGPALRBDSA-N 1 1 499.659 4.331 20 0 JIADMO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2ncnc4c2CC[N@@H+](Cc2ccccc2)C4)C3)n1 ZINC001164959743 722026241 /nfs/dbraw/zinc/02/62/41/722026241.db2.gz IIESELOQKRFRDD-DGPALRBDSA-N 1 1 499.659 4.331 20 0 JIADMO Cc1noc(C[C@@H]2C[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]3O2)n1 ZINC001164962966 722041959 /nfs/dbraw/zinc/04/19/59/722041959.db2.gz QHQKDZDUCTTZTH-CMKODMSKSA-N 1 1 494.665 4.084 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)c2c1C ZINC001164958643 722048167 /nfs/dbraw/zinc/04/81/67/722048167.db2.gz PBBWQCRGKONPDR-RBUKOAKNSA-N 1 1 465.623 4.238 20 0 JIADMO O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164966008 722065400 /nfs/dbraw/zinc/06/54/00/722065400.db2.gz NDZQBPRKTKOMBE-RTBURBONSA-N 1 1 494.690 4.116 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4CC(C(=O)NC5CCC5)C[C@@H]4C3)c2c1C ZINC001164976728 722085508 /nfs/dbraw/zinc/08/55/08/722085508.db2.gz WGCBMHGMFNAMCC-RTBURBONSA-N 1 1 453.656 4.035 20 0 JIADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978944 722139628 /nfs/dbraw/zinc/13/96/28/722139628.db2.gz LCPOJOXVVUHIDX-PGRDOPGGSA-N 1 1 469.948 4.184 20 0 JIADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164975183 722142350 /nfs/dbraw/zinc/14/23/50/722142350.db2.gz FIKLQADGDMLVGN-QPPBQGQZSA-N 1 1 477.996 4.110 20 0 JIADMO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971182 722155341 /nfs/dbraw/zinc/15/53/41/722155341.db2.gz BCIISJLWIWWSCG-GCJKJVERSA-N 1 1 469.948 4.184 20 0 JIADMO Cc1nc(CN2CCO[C@H]3CCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)CC[C@H]32)cs1 ZINC001164986264 722179331 /nfs/dbraw/zinc/17/93/31/722179331.db2.gz JNGDPPTZFIIQKW-SXOMAYOGSA-N 1 1 489.689 4.275 20 0 JIADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995897 722198939 /nfs/dbraw/zinc/19/89/39/722198939.db2.gz ZCOFDUQQIFIJNH-OAQYLSRUSA-N 1 1 453.892 4.451 20 0 JIADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995897 722198941 /nfs/dbraw/zinc/19/89/41/722198941.db2.gz ZCOFDUQQIFIJNH-OAQYLSRUSA-N 1 1 453.892 4.451 20 0 JIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc(N4CCN(c5ccccc5)CC4)nn2)C3)c1 ZINC001164995359 722208643 /nfs/dbraw/zinc/20/86/43/722208643.db2.gz MJQAKXPOSGZWHT-MUUNZHRXSA-N 1 1 472.612 4.187 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001300647091 1069323139 /nfs/dbraw/zinc/32/31/39/1069323139.db2.gz AUYXYIBSNSCONO-FGZHOGPDSA-N 1 1 485.673 4.382 20 0 JIADMO Cc1ccccc1CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCC[C@@H]1C ZINC001492592910 1069323686 /nfs/dbraw/zinc/32/36/86/1069323686.db2.gz WUSPJRQPMQTEAQ-GMAHTHKFSA-N 1 1 498.672 4.016 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC[C@H]2CSC)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001300651379 1069335069 /nfs/dbraw/zinc/33/50/69/1069335069.db2.gz YBYIYYGGWXEUGL-SFTDATJTSA-N 1 1 473.687 4.318 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001300658424 1069361132 /nfs/dbraw/zinc/36/11/32/1069361132.db2.gz DRGNGMPZEXEFQR-ZJSXRUAMSA-N 1 1 485.673 4.237 20 0 JIADMO COc1ccccc1OCc1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001300660219 1069367038 /nfs/dbraw/zinc/36/70/38/1069367038.db2.gz KKXCDBNEECWUNA-HBMCJLEFSA-N 1 1 459.610 4.172 20 0 JIADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC001354596589 1069376367 /nfs/dbraw/zinc/37/63/67/1069376367.db2.gz KTGWRCVFRLWBDA-WIYYLYMNSA-N 1 1 458.400 4.052 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCc1cccnc1 ZINC001300676170 1069422768 /nfs/dbraw/zinc/42/27/68/1069422768.db2.gz BCNDPQLVZIMECQ-UHFFFAOYSA-N 1 1 466.655 4.137 20 0 JIADMO C/C(=C\c1ccccc1)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359349097 1069424921 /nfs/dbraw/zinc/42/49/21/1069424921.db2.gz QQMDBDAHVYRBAV-KBDAKURLSA-N 1 1 450.631 4.033 20 0 JIADMO C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359349203 1069425700 /nfs/dbraw/zinc/42/57/00/1069425700.db2.gz STPKFLZJOPTQMN-CFDQUBHBSA-N 1 1 464.658 4.424 20 0 JIADMO C/C(=C\c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359349204 1069425755 /nfs/dbraw/zinc/42/57/55/1069425755.db2.gz STPKFLZJOPTQMN-CXWFXEOSSA-N 1 1 464.658 4.424 20 0 JIADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC3(CC(C)C)CC3)C[C@H]2C)CC1 ZINC001359380468 1069485099 /nfs/dbraw/zinc/48/50/99/1069485099.db2.gz MNICDTFTMJSDRN-FYYLOGMGSA-N 1 1 472.722 4.072 20 0 JIADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[N@H+](C(C)C)C2)[C@H](C)C1 ZINC001359386185 1069494019 /nfs/dbraw/zinc/49/40/19/1069494019.db2.gz VYUHDSCMJIXDCN-IEBWSBKVSA-N 1 1 493.483 4.429 20 0 JIADMO CC(C)=CCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001359399585 1069505426 /nfs/dbraw/zinc/50/54/26/1069505426.db2.gz SJHPCBSGOPEXAB-WZONZLPQSA-N 1 1 489.039 4.083 20 0 JIADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001359400596 1069505573 /nfs/dbraw/zinc/50/55/73/1069505573.db2.gz QBXNUFRNTHAWRA-OAQYLSRUSA-N 1 1 480.701 4.279 20 0 JIADMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccccc3C)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001359412428 1069531884 /nfs/dbraw/zinc/53/18/84/1069531884.db2.gz WPFYVOWWCFJODH-BOMBAVFCSA-N 1 1 466.674 4.257 20 0 JIADMO CC(=O)N[C@@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001359424291 1069549023 /nfs/dbraw/zinc/54/90/23/1069549023.db2.gz AKMISTDIUCJFKZ-JOCHJYFZSA-N 1 1 484.714 4.248 20 0 JIADMO CC(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@H+](C)C(C)C)CC1 ZINC001359426748 1069552936 /nfs/dbraw/zinc/55/29/36/1069552936.db2.gz UCWFTQCGISFLMN-UHFFFAOYSA-N 1 1 467.445 4.087 20 0 JIADMO CC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001359428582 1069553942 /nfs/dbraw/zinc/55/39/42/1069553942.db2.gz HIMUTVZLZFYFHF-XMMPIXPASA-N 1 1 480.701 4.274 20 0 JIADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2cccc(Cl)c2)n1CCn1cc[nH+]c1C ZINC001359463392 1069586345 /nfs/dbraw/zinc/58/63/45/1069586345.db2.gz JZTWGSDMXXKFDT-UHFFFAOYSA-N 1 1 498.056 4.316 20 0 JIADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(C(C)(C)C)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001359464562 1069592163 /nfs/dbraw/zinc/59/21/63/1069592163.db2.gz XEMJNNSMZHZDLA-IBGZPJMESA-N 1 1 460.692 4.044 20 0 JIADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(C2CCCC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359465110 1069594977 /nfs/dbraw/zinc/59/49/77/1069594977.db2.gz QYUHNIUHLNTMGZ-JOCHJYFZSA-N 1 1 472.703 4.260 20 0 JIADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001359515115 1069801600 /nfs/dbraw/zinc/80/16/00/1069801600.db2.gz KAKSKUCVKVVSJE-FQEVSTJZSA-N 1 1 481.563 4.018 20 0 JIADMO CC(C)(C)[C@H]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001359520511 1069808068 /nfs/dbraw/zinc/80/80/68/1069808068.db2.gz HGEVDPOUFIZHOD-ZEQRLZLVSA-N 1 1 453.675 4.173 20 0 JIADMO CC(C)(C)[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)CCO1 ZINC001359525252 1069814850 /nfs/dbraw/zinc/81/48/50/1069814850.db2.gz XXMPYSFUZZYQHH-NRFANRHFSA-N 1 1 460.022 4.024 20 0 JIADMO CC(C)(C)Cc1nnc(N2CC[C@@H](OCCCc3ccccc3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001359531589 1069824242 /nfs/dbraw/zinc/82/42/42/1069824242.db2.gz RERFLYUVYDFOPL-XMMPIXPASA-N 1 1 483.701 4.206 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCC(OC3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001359531807 1069824754 /nfs/dbraw/zinc/82/47/54/1069824754.db2.gz ZJWPVQQDHXUZQC-NRFANRHFSA-N 1 1 461.695 4.032 20 0 JIADMO CC(C)(C)Cc1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001359540165 1069837363 /nfs/dbraw/zinc/83/73/63/1069837363.db2.gz LBRNNJNHDZQVIT-UHFFFAOYSA-N 1 1 488.558 4.373 20 0 JIADMO CC(C)(C)Cc1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1Cc1sccc1Br ZINC001359541425 1069838831 /nfs/dbraw/zinc/83/88/31/1069838831.db2.gz ZFVSOORFZOFDOO-HNNXBMFYSA-N 1 1 452.466 4.414 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1CC[N@@H+]1CC=CCC1 ZINC001359541499 1069839199 /nfs/dbraw/zinc/83/91/99/1069839199.db2.gz AQZPCCRBYYYVTR-OAQYLSRUSA-N 1 1 462.013 4.499 20 0 JIADMO CC(C)(C)CC[NH+]1CCN(c2nnc(C(C)(C)C)n2CCN2CCc3ccccc3C2)CC1 ZINC001359545855 1069849326 /nfs/dbraw/zinc/84/93/26/1069849326.db2.gz IKOJDSDKXLKUCE-UHFFFAOYSA-N 1 1 452.691 4.192 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccccn3)n2CCc2ccccc2OC(F)F)CC1 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C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccsc3)n2C[C@H]2CCSC2(C)C)C[C@H](C)O1 ZINC001316502352 1066465285 /nfs/dbraw/zinc/46/52/85/1066465285.db2.gz ARDLCSZQSCSVBW-WSTZPKSXSA-N 1 1 463.717 4.008 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccsc3)n2C[C@H]2CCSC2(C)C)C[C@H](C)O1 ZINC001316502352 1066465291 /nfs/dbraw/zinc/46/52/91/1066465291.db2.gz ARDLCSZQSCSVBW-WSTZPKSXSA-N 1 1 463.717 4.008 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2CCc2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC001316502829 1066466886 /nfs/dbraw/zinc/46/68/86/1066466886.db2.gz JFTMZHJSQPPUGZ-XQBPLPMBSA-N 1 1 495.590 4.327 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2CCc2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC001316502829 1066466898 /nfs/dbraw/zinc/46/68/98/1066466898.db2.gz JFTMZHJSQPPUGZ-XQBPLPMBSA-N 1 1 495.590 4.327 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCOC2)C[C@H](C)O1 ZINC001316503346 1066469299 /nfs/dbraw/zinc/46/92/99/1066469299.db2.gz KRMHUACECULRHQ-FGTMMUONSA-N 1 1 482.456 4.224 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCCOC2)C[C@H](C)O1 ZINC001316503346 1066469310 /nfs/dbraw/zinc/46/93/10/1066469310.db2.gz KRMHUACECULRHQ-FGTMMUONSA-N 1 1 482.456 4.224 20 0 JIADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCSc1ccccc1 ZINC001316503693 1066470666 /nfs/dbraw/zinc/47/06/66/1066470666.db2.gz CTSVPTHWPVDHSW-FQEVSTJZSA-N 1 1 457.688 4.349 20 0 JIADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(-c4cccn4C)n3CCCC(C)(C)C)CC2)C[C@H](C)O1 ZINC001316503661 1066470772 /nfs/dbraw/zinc/47/07/72/1066470772.db2.gz BTTUCYNQBWNLGX-OYRHEFFESA-N 1 1 456.679 4.436 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCCS2)C[C@H](C)O1 ZINC001316504118 1066473083 /nfs/dbraw/zinc/47/30/83/1066473083.db2.gz UIEWTNCHROSMAP-OTWHNJEPSA-N 1 1 464.079 4.430 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCCS2)C[C@H](C)O1 ZINC001316504118 1066473092 /nfs/dbraw/zinc/47/30/92/1066473092.db2.gz UIEWTNCHROSMAP-OTWHNJEPSA-N 1 1 464.079 4.430 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCCOC2)C[C@H](C)O1 ZINC001316504344 1066474389 /nfs/dbraw/zinc/47/43/89/1066474389.db2.gz FCBYDIHMTAEAFR-HSALFYBXSA-N 1 1 494.105 4.196 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCCOC2)C[C@H](C)O1 ZINC001316504344 1066474401 /nfs/dbraw/zinc/47/44/01/1066474401.db2.gz FCBYDIHMTAEAFR-HSALFYBXSA-N 1 1 494.105 4.196 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2C[C@](C)(O)C2CCCCC2)C[C@H](C)O1 ZINC001316504469 1066476004 /nfs/dbraw/zinc/47/60/04/1066476004.db2.gz YUOBFXZFZCWKKR-UNVFRBQDSA-N 1 1 490.092 4.475 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2C[C@](C)(O)C2CCCCC2)C[C@H](C)O1 ZINC001316504469 1066476010 /nfs/dbraw/zinc/47/60/10/1066476010.db2.gz YUOBFXZFZCWKKR-UNVFRBQDSA-N 1 1 490.092 4.475 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(C)(C)C)n2Cc2ccc(Oc3cccnc3)c(F)c2)C[C@H](C)O1 ZINC001316505455 1066479436 /nfs/dbraw/zinc/47/94/36/1066479436.db2.gz XDEVKHLPNTUPJF-BGYRXZFFSA-N 1 1 496.631 4.496 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(C)(C)C)n2Cc2ccc(Oc3cccnc3)c(F)c2)C[C@H](C)O1 ZINC001316505455 1066479449 /nfs/dbraw/zinc/47/94/49/1066479449.db2.gz XDEVKHLPNTUPJF-BGYRXZFFSA-N 1 1 496.631 4.496 20 0 JIADMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001337621224 1066499750 /nfs/dbraw/zinc/49/97/50/1066499750.db2.gz SWADBAMLMFZGSO-DEOSSOPVSA-N 1 1 474.653 4.050 20 0 JIADMO FC(F)Oc1cccc(-c2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CC(F)(F)Br)c1 ZINC001316519259 1066522651 /nfs/dbraw/zinc/52/26/51/1066522651.db2.gz CGOUSTXXULIFGS-CQSZACIVSA-N 1 1 492.315 4.209 20 0 JIADMO FC(F)COCCCn1c(-c2ccccc2Br)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001316520163 1066524552 /nfs/dbraw/zinc/52/45/52/1066524552.db2.gz UYYJOTSVZXBBEC-MRXNPFEDSA-N 1 1 484.389 4.054 20 0 JIADMO Fc1cccc(C[NH+]2CCN(c3nnc(C4CCCC4)n3CCOCC(F)(F)C(F)F)CC2)c1 ZINC001316523574 1066533912 /nfs/dbraw/zinc/53/39/12/1066533912.db2.gz DXPRSZVKULHFNJ-UHFFFAOYSA-N 1 1 487.517 4.314 20 0 JIADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CCC([C@H]4C(=O)Nc5ccccc54)CC3)c2c1C ZINC001338311870 1066546143 /nfs/dbraw/zinc/54/61/43/1066546143.db2.gz RGFXWJMXQNIJLM-OAQYLSRUSA-N 1 1 493.633 4.190 20 0 JIADMO COc1ccc([C@H](CNS(=O)(=O)Cc2ccc(Br)cc2F)[NH+]2CCCCC2)cc1 ZINC001338348145 1066549719 /nfs/dbraw/zinc/54/97/19/1066549719.db2.gz TXHNYAKXFYCKLA-NRFANRHFSA-N 1 1 485.419 4.243 20 0 JIADMO Cc1cccc(CN2CCN(c3nnc(-c4cccn4C)n3CC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001492535038 1066583078 /nfs/dbraw/zinc/58/30/78/1066583078.db2.gz XZIQGZXZJORJCC-UHFFFAOYSA-N 1 1 463.674 4.033 20 0 JIADMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)C1 ZINC001342539196 1066597625 /nfs/dbraw/zinc/59/76/25/1066597625.db2.gz SVZGDVSJGDPMHL-JOCHJYFZSA-N 1 1 450.535 4.128 20 0 JIADMO Cc1nn(C)c(C)c1CN(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001492538087 1066601296 /nfs/dbraw/zinc/60/12/96/1066601296.db2.gz SFUKKBLKBWWFII-XMMPIXPASA-N 1 1 479.673 4.273 20 0 JIADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001316584301 1066603779 /nfs/dbraw/zinc/60/37/79/1066603779.db2.gz DLSHFKQYKYYRNU-NRFANRHFSA-N 1 1 497.993 4.458 20 0 JIADMO 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 1066625704 /nfs/dbraw/zinc/62/57/04/1066625704.db2.gz CNGXZBORWAKTLN-FDFHNCONSA-N 1 1 485.673 4.057 20 0 JIADMO Cc1cccc(OCc2nnc(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCCC(C)(C)C)c1 ZINC001492539521 1066626529 /nfs/dbraw/zinc/62/65/29/1066626529.db2.gz COASILFBYMEQFD-JTHBVZDNSA-N 1 1 455.647 4.149 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)CC2)cc1 ZINC001317742024 1066659838 /nfs/dbraw/zinc/65/98/38/1066659838.db2.gz VXYLYKZXLSMLRE-IBGZPJMESA-N 1 1 478.662 4.497 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(CCCO)CC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001492543710 1066668881 /nfs/dbraw/zinc/66/88/81/1066668881.db2.gz VEAYVWGHTNIDKR-XMMPIXPASA-N 1 1 469.674 4.275 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC[C@H](C)CC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492545233 1066732521 /nfs/dbraw/zinc/73/25/21/1066732521.db2.gz IVXDQWNRFLJMAD-URXFXBBRSA-N 1 1 455.647 4.149 20 0 JIADMO O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001317853669 1066734078 /nfs/dbraw/zinc/73/40/78/1066734078.db2.gz XFGSRFMPWNDQQY-DNQXCXABSA-N 1 1 490.604 4.006 20 0 JIADMO CCc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cs2)cc1 ZINC001348476131 1066748230 /nfs/dbraw/zinc/74/82/30/1066748230.db2.gz LWNKQZOIFDRCBF-GCJKJVERSA-N 1 1 463.603 4.309 20 0 JIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 ZINC001317897744 1066768073 /nfs/dbraw/zinc/76/80/73/1066768073.db2.gz XBPULNVPMFWRLK-UHFFFAOYSA-N 1 1 467.573 4.425 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@]2(O)CCC[C@H]2C)c1 ZINC001492546085 1066768766 /nfs/dbraw/zinc/76/87/66/1066768766.db2.gz OXUXBKYLHOQEHU-RLWLMLJZSA-N 1 1 455.647 4.027 20 0 JIADMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1 ZINC001318020878 1066856060 /nfs/dbraw/zinc/85/60/60/1066856060.db2.gz FPMGWKLFRDGTNK-UHFFFAOYSA-N 1 1 459.546 4.029 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)CSc2nnc(COc3c(C)cccc3C)n2-c2ccccc2)C1 ZINC001318047163 1066870134 /nfs/dbraw/zinc/87/01/34/1066870134.db2.gz XGCWSMPDMMLKNU-QFIPXVFZSA-N 1 1 493.677 4.403 20 0 JIADMO C[NH+](C)[C@H](CNC(=O)c1cc(I)c(Cl)cc1Cl)c1ccco1 ZINC001349794381 1066883692 /nfs/dbraw/zinc/88/36/92/1066883692.db2.gz ONLWCKURVKRPCV-CYBMUJFWSA-N 1 1 453.107 4.224 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(NC(=O)c4ccncc4)cc3)CC2)cc1 ZINC001318090892 1066895142 /nfs/dbraw/zinc/89/51/42/1066895142.db2.gz FCEODZDZXKYSRK-UHFFFAOYSA-N 1 1 457.578 4.060 20 0 JIADMO C[NH+](C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cl)cc1 ZINC001349923181 1066897479 /nfs/dbraw/zinc/89/74/79/1066897479.db2.gz RUQOXHDEQOMEEB-OAQYLSRUSA-N 1 1 450.004 4.146 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001492547547 1066931108 /nfs/dbraw/zinc/93/11/08/1066931108.db2.gz BMNZTAFPJKPEII-ZCYQVOJMSA-N 1 1 469.674 4.395 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001492547750 1066935393 /nfs/dbraw/zinc/93/53/93/1066935393.db2.gz IMFVZSCPBDKTLN-FQEVSTJZSA-N 1 1 481.563 4.055 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)C1 ZINC001318173183 1066938946 /nfs/dbraw/zinc/93/89/46/1066938946.db2.gz LQBGAELCWKBIAO-SSEPRJSISA-N 1 1 463.622 4.336 20 0 JIADMO O=C(NCc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001318173392 1066939081 /nfs/dbraw/zinc/93/90/81/1066939081.db2.gz LJCGOSGRQSSHAV-KAYWLYCHSA-N 1 1 483.568 4.221 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2OCC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC001318173831 1066939557 /nfs/dbraw/zinc/93/95/57/1066939557.db2.gz RWZZGPPWYWRXRP-QGZVFWFLSA-N 1 1 477.577 4.481 20 0 JIADMO CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318213739 1066962427 /nfs/dbraw/zinc/96/24/27/1066962427.db2.gz JNWCPXKJWKCORT-UHFFFAOYSA-N 1 1 475.622 4.423 20 0 JIADMO O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318213719 1066962673 /nfs/dbraw/zinc/96/26/73/1066962673.db2.gz LJJVPLQVJUCVJL-UHFFFAOYSA-N 1 1 464.551 4.032 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC001318279022 1066998896 /nfs/dbraw/zinc/99/88/96/1066998896.db2.gz QHLLXHJCYDYWMB-UHFFFAOYSA-N 1 1 488.579 4.435 20 0 JIADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC(Nc4ccccc4Cl)CC3)c2)CCO1 ZINC001318308720 1067011196 /nfs/dbraw/zinc/01/11/96/1067011196.db2.gz MCTDUJDXIZORHF-IBGZPJMESA-N 1 1 457.018 4.347 20 0 JIADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC(Nc4ccccc4Cl)CC3)c2)CCO1 ZINC001318308720 1067011205 /nfs/dbraw/zinc/01/12/05/1067011205.db2.gz MCTDUJDXIZORHF-IBGZPJMESA-N 1 1 457.018 4.347 20 0 JIADMO CC(C)(C)c1ccc(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1Cl ZINC001351020153 1067033673 /nfs/dbraw/zinc/03/36/73/1067033673.db2.gz RWSQCQRAPJTADE-UHFFFAOYSA-N 1 1 458.002 4.228 20 0 JIADMO Cc1c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nnn1CCOc1ccc(F)cc1 ZINC001354680009 1067038958 /nfs/dbraw/zinc/03/89/58/1067038958.db2.gz CRDLJNUDYMFLCV-GOSISDBHSA-N 1 1 451.546 4.289 20 0 JIADMO C[N@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)Cc2ccc(Br)cc2F)CC1 ZINC001318419520 1067041362 /nfs/dbraw/zinc/04/13/62/1067041362.db2.gz FIGQKYUEFLQNLO-UHFFFAOYSA-N 1 1 469.420 4.262 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)c2)CC1 ZINC001318457401 1067044365 /nfs/dbraw/zinc/04/43/65/1067044365.db2.gz HGJFSWNVKONESY-UHFFFAOYSA-N 1 1 450.583 4.187 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)C2)ccn1 ZINC001351117140 1067048327 /nfs/dbraw/zinc/04/83/27/1067048327.db2.gz JFDROYWBKSPURP-FQEVSTJZSA-N 1 1 487.526 4.420 20 0 JIADMO 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COc1ccc([C@H]2CCCN2c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001300095525 1067658617 /nfs/dbraw/zinc/65/86/17/1067658617.db2.gz WHNVPLGCHBFVOZ-ZEQKJWHPSA-N 1 1 471.646 4.009 20 0 JIADMO COc1ccc(CCc2nnc(N(C)[C@@H](C)c3cccs3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001300107679 1067700800 /nfs/dbraw/zinc/70/08/00/1067700800.db2.gz UHVIAJMBPCCKQP-FQEVSTJZSA-N 1 1 483.682 4.442 20 0 JIADMO COc1ccc(CCc2nnc(N(C)[C@@H](C)c3cccs3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001300107679 1067700811 /nfs/dbraw/zinc/70/08/11/1067700811.db2.gz UHVIAJMBPCCKQP-FQEVSTJZSA-N 1 1 483.682 4.442 20 0 JIADMO O=C(NC1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1)OCc1ccccc1 ZINC001352756339 1067702630 /nfs/dbraw/zinc/70/26/30/1067702630.db2.gz XFLRBKSIMNLVKM-JOCHJYFZSA-N 1 1 455.986 4.270 20 0 JIADMO O=C(NC1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1)OCc1ccccc1 ZINC001352756339 1067702652 /nfs/dbraw/zinc/70/26/52/1067702652.db2.gz XFLRBKSIMNLVKM-JOCHJYFZSA-N 1 1 455.986 4.270 20 0 JIADMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001352757826 1067706584 /nfs/dbraw/zinc/70/65/84/1067706584.db2.gz UGBWRDDEWCTGBG-RPWUZVMVSA-N 1 1 459.993 4.023 20 0 JIADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001352757826 1067706604 /nfs/dbraw/zinc/70/66/04/1067706604.db2.gz UGBWRDDEWCTGBG-RPWUZVMVSA-N 1 1 459.993 4.023 20 0 JIADMO COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)c1 ZINC001356262496 1067710334 /nfs/dbraw/zinc/71/03/34/1067710334.db2.gz VCJIAAGTGAIQGS-RBBKRZOGSA-N 1 1 451.567 4.179 20 0 JIADMO COc1ccc(CCc2nnc(N(C)Cc3ccc(C)s3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001300111684 1067712634 /nfs/dbraw/zinc/71/26/34/1067712634.db2.gz NZVBWJXAUORZPV-UHFFFAOYSA-N 1 1 496.725 4.104 20 0 JIADMO COc1ccc(CCc2nnc(N(C)Cc3ccc(C)s3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001300111684 1067712641 /nfs/dbraw/zinc/71/26/41/1067712641.db2.gz NZVBWJXAUORZPV-UHFFFAOYSA-N 1 1 496.725 4.104 20 0 JIADMO COc1ccc(CCc2nnc(N(C)Cc3ccc(C)s3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001300111684 1067712649 /nfs/dbraw/zinc/71/26/49/1067712649.db2.gz NZVBWJXAUORZPV-UHFFFAOYSA-N 1 1 496.725 4.104 20 0 JIADMO COc1ccc(CCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300113197 1067718266 /nfs/dbraw/zinc/71/82/66/1067718266.db2.gz CGHZJCKCOKYXDB-ZEQRLZLVSA-N 1 1 469.674 4.198 20 0 JIADMO COc1ccc(CCc2nnc(N(C)CC3CC(F)C3)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001300114727 1067722687 /nfs/dbraw/zinc/72/26/87/1067722687.db2.gz QTCHOGIZUXXCMG-UHFFFAOYSA-N 1 1 457.638 4.378 20 0 JIADMO COc1ccc(CCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300116091 1067726078 /nfs/dbraw/zinc/72/60/78/1067726078.db2.gz CUYGPYMIYXNBKZ-ZLNRFVROSA-N 1 1 483.701 4.444 20 0 JIADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)Nc2ccc(OCCC(N)=O)cc2)c1 ZINC001356339642 1067729266 /nfs/dbraw/zinc/72/92/66/1067729266.db2.gz NAHRTCFLISOCBC-IZZNHLLZSA-N 1 1 457.574 4.104 20 0 JIADMO C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N1CC[N@H+](C)CC1(C)C ZINC001356379327 1067740144 /nfs/dbraw/zinc/74/01/44/1067740144.db2.gz ZEARMGMFLQPRDS-HNNXBMFYSA-N 1 1 456.637 4.238 20 0 JIADMO C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N1CC[N@@H+](C)CC1(C)C ZINC001356379327 1067740154 /nfs/dbraw/zinc/74/01/54/1067740154.db2.gz ZEARMGMFLQPRDS-HNNXBMFYSA-N 1 1 456.637 4.238 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CCCn2cc[nH+]c2C)cc1 ZINC001300121621 1067740223 /nfs/dbraw/zinc/74/02/23/1067740223.db2.gz PSTLMDXFYXCZNE-XMMPIXPASA-N 1 1 480.657 4.451 20 0 JIADMO COc1ccc(CCc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC001300124952 1067749345 /nfs/dbraw/zinc/74/93/45/1067749345.db2.gz APGNRTQTGXQUNL-NFQMXDRXSA-N 1 1 469.674 4.196 20 0 JIADMO COc1ccc(CCCN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300132745 1067770998 /nfs/dbraw/zinc/77/09/98/1067770998.db2.gz DRMDYSKUCPDGKE-LADGPHEKSA-N 1 1 469.674 4.370 20 0 JIADMO COc1ccc(CCCn2c(Cc3cccnc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001300137300 1067781078 /nfs/dbraw/zinc/78/10/78/1067781078.db2.gz UUGOUOCKZWQJJM-UHFFFAOYSA-N 1 1 462.642 4.216 20 0 JIADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC001352893611 1067788530 /nfs/dbraw/zinc/78/85/30/1067788530.db2.gz NZJBXDFVJPBOAB-UPRLRBBYSA-N 1 1 469.629 4.026 20 0 JIADMO COc1ccc(CCn2c(N3CCC[N@H+](C(C)C)CC3)nnc2C(C)(C)C)cc1OC(F)F ZINC001300158545 1067814691 /nfs/dbraw/zinc/81/46/91/1067814691.db2.gz RRQYFNIXWGZNAU-UHFFFAOYSA-N 1 1 465.589 4.349 20 0 JIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)[C@@H](c3cnn(C)c3)c3cccc(F)c3)cc2)C[C@@H](C)O1 ZINC001357180944 1067815141 /nfs/dbraw/zinc/81/51/41/1067815141.db2.gz ZCEIYKYTBCVWRK-MPCDZSKCSA-N 1 1 450.558 4.030 20 0 JIADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C1(Cc2cccs2)CCCCC1 ZINC001357186007 1067815694 /nfs/dbraw/zinc/81/56/94/1067815694.db2.gz PWJLKCGJWDAJNQ-UHFFFAOYSA-N 1 1 455.624 4.276 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCC(C)(C)O ZINC001492585138 1067825122 /nfs/dbraw/zinc/82/51/22/1067825122.db2.gz YQMPPLPQKFLJCU-XZOQPEGZSA-N 1 1 453.675 4.429 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CCC(C)(C)O ZINC001492585136 1067825214 /nfs/dbraw/zinc/82/52/14/1067825214.db2.gz YQMPPLPQKFLJCU-GOTSBHOMSA-N 1 1 453.675 4.429 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300167049 1067825523 /nfs/dbraw/zinc/82/55/23/1067825523.db2.gz UOUXLSFIYVVWHL-DEOSSOPVSA-N 1 1 478.641 4.423 20 0 JIADMO COC(=O)Nc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc(C(F)(F)F)c1 ZINC001357272773 1067828994 /nfs/dbraw/zinc/82/89/94/1067828994.db2.gz BUGROSFYXBLIMF-UHFFFAOYSA-N 1 1 450.392 4.447 20 0 JIADMO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2CCCn3cc[nH+]c32)c(OC)c1 ZINC001300173131 1067832389 /nfs/dbraw/zinc/83/23/89/1067832389.db2.gz OUFLNARUAHXHEZ-LJQANCHMSA-N 1 1 452.603 4.294 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300176213 1067835645 /nfs/dbraw/zinc/83/56/45/1067835645.db2.gz LUQYDTPQHXVBBS-OAQYLSRUSA-N 1 1 492.668 4.428 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1F ZINC001300176369 1067836259 /nfs/dbraw/zinc/83/62/59/1067836259.db2.gz QWIRCAFHXYSNHS-PMACEKPBSA-N 1 1 466.605 4.168 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+](C)C(C)C)c(OC)c1 ZINC001300179157 1067841041 /nfs/dbraw/zinc/84/10/41/1067841041.db2.gz MRRPWGNLOYBRMX-FYYLOGMGSA-N 1 1 473.662 4.191 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1F ZINC001300180292 1067843236 /nfs/dbraw/zinc/84/32/36/1067843236.db2.gz LPINWNNFWNBQFB-HSZRJFAPSA-N 1 1 483.636 4.044 20 0 JIADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(CC)(CC)COCc3ccccc3)cc2)CC1 ZINC001357480000 1067855844 /nfs/dbraw/zinc/85/58/44/1067855844.db2.gz OCDVGZBEAMODOU-UHFFFAOYSA-N 1 1 451.611 4.426 20 0 JIADMO C[C@H](Cc1cnn(C)c1)C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC001357488051 1067857663 /nfs/dbraw/zinc/85/76/63/1067857663.db2.gz KTXHMFZFPMYXQV-LJQANCHMSA-N 1 1 452.002 4.213 20 0 JIADMO Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC001353091547 1067860126 /nfs/dbraw/zinc/86/01/26/1067860126.db2.gz FACFMUCIYRXYQQ-NRFANRHFSA-N 1 1 459.638 4.172 20 0 JIADMO O=C(COc1ccc(F)c(F)c1)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC001353091511 1067860136 /nfs/dbraw/zinc/86/01/36/1067860136.db2.gz DFMOMTZSFFMIKO-UHFFFAOYSA-N 1 1 451.517 4.300 20 0 JIADMO CCCN(C(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357512924 1067862567 /nfs/dbraw/zinc/86/25/67/1067862567.db2.gz ZOBMLGYCJFKRHB-DQEYMECFSA-N 1 1 456.652 4.108 20 0 JIADMO CCCN(C(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357512924 1067862572 /nfs/dbraw/zinc/86/25/72/1067862572.db2.gz ZOBMLGYCJFKRHB-DQEYMECFSA-N 1 1 456.652 4.108 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=S)Nc1c(C)cc(Br)cc1C)C2 ZINC001200222305 1067864682 /nfs/dbraw/zinc/86/46/82/1067864682.db2.gz RAIOHELWFSCCEB-XMSQKQJNSA-N 1 1 466.489 4.443 20 0 JIADMO COc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1Cl ZINC001300197160 1067867422 /nfs/dbraw/zinc/86/74/22/1067867422.db2.gz GPRUJWVOZLTYDE-UHFFFAOYSA-N 1 1 455.006 4.361 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001492557196 1067870714 /nfs/dbraw/zinc/87/07/14/1067870714.db2.gz CDEHDHRTSFVHGZ-VXKWHMMOSA-N 1 1 469.674 4.252 20 0 JIADMO COC(=O)[C@H]1CCC[N@H+](C2CCN(C(=S)Nc3c(C)cc(Br)cc3C)CC2)C1 ZINC001200227176 1067871232 /nfs/dbraw/zinc/87/12/32/1067871232.db2.gz FLKZRYOZCWKYBO-INIZCTEOSA-N 1 1 468.461 4.112 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@]1(C)CCCS1 ZINC001492557810 1067872840 /nfs/dbraw/zinc/87/28/40/1067872840.db2.gz XQVVHNBRGCIJOQ-VWLOTQADSA-N 1 1 457.688 4.334 20 0 JIADMO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)c(OC)c1 ZINC001473291787 1067875774 /nfs/dbraw/zinc/87/57/74/1067875774.db2.gz JDSGFIGNTPRMIO-REWPJTCUSA-N 1 1 454.542 4.244 20 0 JIADMO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)c(OC)c1 ZINC001473291787 1067875778 /nfs/dbraw/zinc/87/57/78/1067875778.db2.gz JDSGFIGNTPRMIO-REWPJTCUSA-N 1 1 454.542 4.244 20 0 JIADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1)C[C@H]1CCCCO1 ZINC001357599138 1067876065 /nfs/dbraw/zinc/87/60/65/1067876065.db2.gz KFNVDJNXPNGNKD-RPWUZVMVSA-N 1 1 453.583 4.281 20 0 JIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC001357630839 1067879566 /nfs/dbraw/zinc/87/95/66/1067879566.db2.gz KKHGGEUZKUSYBI-XLIONFOSSA-N 1 1 453.384 4.259 20 0 JIADMO Cc1ccc(CCC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c(Br)c1 ZINC001357644122 1067881770 /nfs/dbraw/zinc/88/17/70/1067881770.db2.gz GEFVBCGNRGSPAG-LJQANCHMSA-N 1 1 458.400 4.026 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cccc(Br)n1 ZINC001492559551 1067885073 /nfs/dbraw/zinc/88/50/73/1067885073.db2.gz FRVXMVNVUIUYKL-KDURUIRLSA-N 1 1 499.457 4.005 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1cccc(Br)n1 ZINC001492559551 1067885074 /nfs/dbraw/zinc/88/50/74/1067885074.db2.gz FRVXMVNVUIUYKL-KDURUIRLSA-N 1 1 499.457 4.005 20 0 JIADMO COc1ccc(Br)c(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001357724446 1067891710 /nfs/dbraw/zinc/89/17/10/1067891710.db2.gz VEQVVKYFVQOWQI-XZOQPEGZSA-N 1 1 480.406 4.385 20 0 JIADMO C[C@@H](NC(=O)c1cc(F)ccc1I)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357780035 1067898603 /nfs/dbraw/zinc/89/86/03/1067898603.db2.gz JBZGGCYPNFRNEA-ZBFHGGJFSA-N 1 1 452.311 4.071 20 0 JIADMO C[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357779640 1067898726 /nfs/dbraw/zinc/89/87/26/1067898726.db2.gz IBEQGPIOKYYTSA-NKKJXINNSA-N 1 1 451.611 4.322 20 0 JIADMO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001200267704 1067908104 /nfs/dbraw/zinc/90/81/04/1067908104.db2.gz QIIZIOQHNZOPKW-YADHBBJMSA-N 1 1 471.667 4.311 20 0 JIADMO COc1ccc(COCCCn2c(Cc3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001300232535 1067920405 /nfs/dbraw/zinc/92/04/05/1067920405.db2.gz YBSLWMKPZIEMLI-UHFFFAOYSA-N 1 1 492.668 4.190 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc(C(C)C)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001300235572 1067926815 /nfs/dbraw/zinc/92/68/15/1067926815.db2.gz HNZPHJSFSNNSQZ-FQEVSTJZSA-N 1 1 450.027 4.057 20 0 JIADMO COc1ccc(O[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001300248681 1067988016 /nfs/dbraw/zinc/98/80/16/1067988016.db2.gz DSAAMSWYXJOCAL-HXUWFJFHSA-N 1 1 464.614 4.127 20 0 JIADMO CC(C)n1ncc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1Br ZINC001358037882 1067999701 /nfs/dbraw/zinc/99/97/01/1067999701.db2.gz GYBUWVLOMRYOJC-GUYCJALGSA-N 1 1 457.775 4.442 20 0 JIADMO CC(C)n1ncc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1Br ZINC001358037882 1067999741 /nfs/dbraw/zinc/99/97/41/1067999741.db2.gz GYBUWVLOMRYOJC-GUYCJALGSA-N 1 1 457.775 4.442 20 0 JIADMO 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 1068002762 /nfs/dbraw/zinc/00/27/62/1068002762.db2.gz JMEYHVOIMFCHIG-FUPPJEDESA-N 1 1 482.673 4.476 20 0 JIADMO CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)c1 ZINC001358170973 1068036072 /nfs/dbraw/zinc/03/60/72/1068036072.db2.gz QFQAXFYHESDRJQ-GBXCKJPGSA-N 1 1 457.640 4.206 20 0 JIADMO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001358439115 1068091461 /nfs/dbraw/zinc/09/14/61/1068091461.db2.gz RACCJXCIGXXNBW-OEQAEZTDSA-N 1 1 457.618 4.160 20 0 JIADMO COc1ccc(OCc2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CC(C)(C)SC)cc1 ZINC001300291500 1068097036 /nfs/dbraw/zinc/09/70/36/1068097036.db2.gz OZKDJUALFZGDLR-UHFFFAOYSA-N 1 1 473.687 4.462 20 0 JIADMO C[C@H]1Oc2ccccc2N(CCC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1=O ZINC001358478749 1068101932 /nfs/dbraw/zinc/10/19/32/1068101932.db2.gz LOMDOBUQXZKNJJ-WIYYLYMNSA-N 1 1 455.986 4.015 20 0 JIADMO Cc1c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nnn1Cc1ccc(F)cc1 ZINC001358488468 1068111516 /nfs/dbraw/zinc/11/15/16/1068111516.db2.gz FIJDZIVYWZUDNX-JOCHJYFZSA-N 1 1 455.965 4.212 20 0 JIADMO Cc1c(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)nnn1Cc1ccc(F)cc1 ZINC001358488468 1068111542 /nfs/dbraw/zinc/11/15/42/1068111542.db2.gz FIJDZIVYWZUDNX-JOCHJYFZSA-N 1 1 455.965 4.212 20 0 JIADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1 ZINC001353449788 1068141067 /nfs/dbraw/zinc/14/10/67/1068141067.db2.gz MQMICJXFYUUXKF-UHFFFAOYSA-N 1 1 453.549 4.014 20 0 JIADMO COCCSCCC[N@H+]1CCOC[C@@H]1C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001473822699 1068285919 /nfs/dbraw/zinc/28/59/19/1068285919.db2.gz KMWONEKLMZVGNY-PMACEKPBSA-N 1 1 450.645 4.386 20 0 JIADMO 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CCOC(=O)Oc1ccc(C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)cc1 ZINC001353632082 1068382455 /nfs/dbraw/zinc/38/24/55/1068382455.db2.gz PRZOLDWDTRCJRM-MRXNPFEDSA-N 1 1 457.502 4.426 20 0 JIADMO CCOC(=O)Oc1ccc(C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)cc1 ZINC001353632082 1068382476 /nfs/dbraw/zinc/38/24/76/1068382476.db2.gz PRZOLDWDTRCJRM-MRXNPFEDSA-N 1 1 457.502 4.426 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)n2CCCNC(=O)C(C)C)c1 ZINC001300375643 1068445435 /nfs/dbraw/zinc/44/54/35/1068445435.db2.gz FZYOXWVIAPYEOH-GOTSBHOMSA-N 1 1 496.700 4.207 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)n2CCCNC(=O)C(C)C)c1 ZINC001300375644 1068445587 /nfs/dbraw/zinc/44/55/87/1068445587.db2.gz FZYOXWVIAPYEOH-PKTZIBPZSA-N 1 1 496.700 4.207 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC001300385447 1068482527 /nfs/dbraw/zinc/48/25/27/1068482527.db2.gz PRWXATHBXCLPAH-LJQANCHMSA-N 1 1 494.606 4.149 20 0 JIADMO COc1cccc(-c2nnc(N3CCN(C(=O)c4ccc(C)s4)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001300388469 1068496487 /nfs/dbraw/zinc/49/64/87/1068496487.db2.gz IDNLVHKSEKGPJB-UHFFFAOYSA-N 1 1 496.681 4.016 20 0 JIADMO CCCCNC(=S)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001200458170 1068627620 /nfs/dbraw/zinc/62/76/20/1068627620.db2.gz GNPFSTUJWLQKGL-JOCHJYFZSA-N 1 1 474.715 4.400 20 0 JIADMO CCC[C@H]1CN(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)CC[N@H+]1CCOC ZINC001200473380 1068684555 /nfs/dbraw/zinc/68/45/55/1068684555.db2.gz GKSYQOMIAPZVKC-NRUKRWIHSA-N 1 1 457.640 4.100 20 0 JIADMO C[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001300436694 1068699870 /nfs/dbraw/zinc/69/98/70/1068699870.db2.gz XDZSTAPXVQSRNS-GMKZXUHWSA-N 1 1 457.659 4.435 20 0 JIADMO COc1cccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC001300447008 1068740347 /nfs/dbraw/zinc/74/03/47/1068740347.db2.gz SMBAWISKCJTRGA-OAQYLSRUSA-N 1 1 455.647 4.407 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC2CCCCC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001300471343 1068813010 /nfs/dbraw/zinc/81/30/10/1068813010.db2.gz XNSUCZFGNMXWSD-NRFANRHFSA-N 1 1 455.647 4.471 20 0 JIADMO CC(C)CC(=O)N1CCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001353994790 1068823474 /nfs/dbraw/zinc/82/34/74/1068823474.db2.gz XWMXJWLZTKFHST-OAQYLSRUSA-N 1 1 453.549 4.167 20 0 JIADMO C[C@@H](NC(=O)CC1CCCCC1)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001354000705 1068827053 /nfs/dbraw/zinc/82/70/53/1068827053.db2.gz WMNGHSPDQABFAD-AUSIDOKSSA-N 1 1 453.652 4.439 20 0 JIADMO C[C@@H](NC(=O)CC1CCCCC1)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001354000705 1068827055 /nfs/dbraw/zinc/82/70/55/1068827055.db2.gz WMNGHSPDQABFAD-AUSIDOKSSA-N 1 1 453.652 4.439 20 0 JIADMO COc1ccccc1-c1nnc(N2C[C@H](OC)C(C)(C)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001300484721 1068842075 /nfs/dbraw/zinc/84/20/75/1068842075.db2.gz VTKXWHOHQGEMBH-OFNKIYASSA-N 1 1 455.647 4.327 20 0 JIADMO COCC[S@@](=O)Cc1cccc(NC(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001200541773 1068857965 /nfs/dbraw/zinc/85/79/65/1068857965.db2.gz GSHDYOCSAZYWKH-GUFZZQPWSA-N 1 1 469.651 4.004 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001300494152 1068862035 /nfs/dbraw/zinc/86/20/35/1068862035.db2.gz LGKKXZUCMRKLMV-RBUKOAKNSA-N 1 1 481.563 4.233 20 0 JIADMO COc1cc(NC(=S)N[C@H]2CC[N@H+](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c(OC)cc1Cl ZINC001200548796 1068868922 /nfs/dbraw/zinc/86/89/22/1068868922.db2.gz MVSMAXADQDSVJB-HNNXBMFYSA-N 1 1 499.077 4.117 20 0 JIADMO Cc1cc(C(C)(C)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)ccc1Br ZINC001354143553 1068929407 /nfs/dbraw/zinc/92/94/07/1068929407.db2.gz XYUVJELJJJYILS-LJQANCHMSA-N 1 1 458.444 4.362 20 0 JIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c2ccc(Br)cc2nn1C ZINC001354146621 1068930799 /nfs/dbraw/zinc/93/07/99/1068930799.db2.gz CWOIKLNXUKVUCC-GOSISDBHSA-N 1 1 455.400 4.320 20 0 JIADMO Cc1ccc([C@@H]([NH2+]Cc2cccc(C(=O)N(C)C)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC001200580550 1068944558 /nfs/dbraw/zinc/94/45/58/1068944558.db2.gz HSUGSYYDRDVYHB-VWLOTQADSA-N 1 1 450.604 4.288 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001300533466 1068949213 /nfs/dbraw/zinc/94/92/13/1068949213.db2.gz WVILQTWBKSDTBL-IFMALSPDSA-N 1 1 455.647 4.003 20 0 JIADMO CC(C)(C)OC(=O)N1CCC([NH+]2CCN(C(=S)Nc3ccc(F)c(Cl)c3)CC2)CC1 ZINC001200582737 1068949684 /nfs/dbraw/zinc/94/96/84/1068949684.db2.gz NBPCFTNBDZVZDJ-UHFFFAOYSA-N 1 1 457.015 4.193 20 0 JIADMO Cc1ccccc1-c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCCNC(=O)OC(C)(C)C ZINC001492569527 1068973610 /nfs/dbraw/zinc/97/36/10/1068973610.db2.gz ZXUNTWAWTGXNDZ-HXUWFJFHSA-N 1 1 482.673 4.479 20 0 JIADMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccccc1OCc1ccc(Cl)cc1 ZINC001300565738 1069053593 /nfs/dbraw/zinc/05/35/93/1069053593.db2.gz AEGYIDHFUQPQFJ-QHCPKHFHSA-N 1 1 450.966 4.416 20 0 JIADMO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849487688 1069054565 /nfs/dbraw/zinc/05/45/65/1069054565.db2.gz MFKGWURRQMVLSE-ROUUACIJSA-N 1 1 480.440 4.028 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)[C@H](c2cnn(C)c2)C1 ZINC000849491997 1069059490 /nfs/dbraw/zinc/05/94/90/1069059490.db2.gz BKIYPVZVPFIFJV-XNKRGLCLSA-N 1 1 468.671 4.192 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849493413 1069060299 /nfs/dbraw/zinc/06/02/99/1069060299.db2.gz WWOVERPFKLIAAE-UXHICEINSA-N 1 1 463.548 4.492 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cn1 ZINC000849491773 1069060311 /nfs/dbraw/zinc/06/03/11/1069060311.db2.gz UDRRWBIDMSQAAO-YADHBBJMSA-N 1 1 454.521 4.286 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849493410 1069060378 /nfs/dbraw/zinc/06/03/78/1069060378.db2.gz WWOVERPFKLIAAE-PMACEKPBSA-N 1 1 463.548 4.492 20 0 JIADMO COc1ccc(-c2cc(NC(=O)[C@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)ccc2OC(F)F)cc1 ZINC000849493051 1069061706 /nfs/dbraw/zinc/06/17/06/1069061706.db2.gz ZINDZMOEHUCFMS-UNMCSNQZSA-N 1 1 470.520 4.371 20 0 JIADMO CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849493235 1069061836 /nfs/dbraw/zinc/06/18/36/1069061836.db2.gz ITGWQUKVIWLGCX-MHBGZZOHSA-N 1 1 473.621 4.204 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)cn1 ZINC000849492931 1069062798 /nfs/dbraw/zinc/06/27/98/1069062798.db2.gz HFWYDLPNIHYDCM-RBUKOAKNSA-N 1 1 463.529 4.160 20 0 JIADMO CCOC(=O)c1sc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849493854 1069063724 /nfs/dbraw/zinc/06/37/24/1069063724.db2.gz MODFMJKODUNMOL-VQTJNVASSA-N 1 1 481.622 4.173 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849493472 1069063825 /nfs/dbraw/zinc/06/38/25/1069063825.db2.gz KFCAIBRYQCGJBL-RBUKOAKNSA-N 1 1 474.631 4.156 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@H]2Cc2cccs2)n1CC[N@@H+](C)C(C)C ZINC001300568502 1069067496 /nfs/dbraw/zinc/06/74/96/1069067496.db2.gz VEEQCUHNTKUYBM-NRFANRHFSA-N 1 1 453.656 4.491 20 0 JIADMO 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 1069067726 /nfs/dbraw/zinc/06/77/26/1069067726.db2.gz KBDPSVHCXIYGMQ-DHIUTWEWSA-N 1 1 469.630 4.240 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849497300 1069068532 /nfs/dbraw/zinc/06/85/32/1069068532.db2.gz OBBUAYZHFMIPJV-UYAOXDASSA-N 1 1 484.442 4.063 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCCCN2c3ccccc3Sc3ccccc32)cn1 ZINC000849497452 1069069552 /nfs/dbraw/zinc/06/95/52/1069069552.db2.gz OCZPYSZWUVYPDB-NHCUHLMSSA-N 1 1 461.635 4.265 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)[C@H](c2cnn(C)c2)C1 ZINC000849500389 1069071240 /nfs/dbraw/zinc/07/12/40/1069071240.db2.gz HSYBYZRNIBKPQQ-KKUQBAQOSA-N 1 1 491.705 4.211 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccccc2COCc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849501100 1069073899 /nfs/dbraw/zinc/07/38/99/1069073899.db2.gz SKWVUSXLCFVYKK-SXOMAYOGSA-N 1 1 460.622 4.267 20 0 JIADMO COc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc1NC(=O)c1ccc(Cl)cc1F ZINC000849503806 1069082469 /nfs/dbraw/zinc/08/24/69/1069082469.db2.gz LGUNPPYKTWRHNG-UYAOXDASSA-N 1 1 499.974 4.148 20 0 JIADMO CCN(C(=O)Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1)c1ccccc1 ZINC000849503871 1069083373 /nfs/dbraw/zinc/08/33/73/1069083373.db2.gz MDBKZBNKSKGBHX-KAYWLYCHSA-N 1 1 487.648 4.468 20 0 JIADMO COc1ccc(CN(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849506273 1069085275 /nfs/dbraw/zinc/08/52/75/1069085275.db2.gz MDCHPSQAHXLNRK-RRPNLBNLSA-N 1 1 460.622 4.472 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCSCc2cccc3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849506075 1069086315 /nfs/dbraw/zinc/08/63/15/1069086315.db2.gz LBCRMGFXSITCRM-JWQCQUIFSA-N 1 1 450.652 4.437 20 0 JIADMO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849508131 1069089010 /nfs/dbraw/zinc/08/90/10/1069089010.db2.gz HCEQUDRALAIPKB-VQTJNVASSA-N 1 1 452.530 4.343 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cn1 ZINC000849507597 1069090010 /nfs/dbraw/zinc/09/00/10/1069090010.db2.gz DKFNFFACMVZZBJ-YADHBBJMSA-N 1 1 466.973 4.392 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)[C@H](c2cnn(C)c2)C1 ZINC000849510071 1069091860 /nfs/dbraw/zinc/09/18/60/1069091860.db2.gz OHKOTANYXDSNFP-UXHICEINSA-N 1 1 459.566 4.198 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849513302 1069096993 /nfs/dbraw/zinc/09/69/93/1069096993.db2.gz BCUYBCVIQUZPEQ-YADHBBJMSA-N 1 1 467.614 4.170 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849514537 1069098957 /nfs/dbraw/zinc/09/89/57/1069098957.db2.gz CCATVOIKBSMVLJ-RTBURBONSA-N 1 1 459.566 4.359 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)[C@H](c2cnn(C)c2)C1 ZINC000849514535 1069099096 /nfs/dbraw/zinc/09/90/96/1069099096.db2.gz CCATVOIKBSMVLJ-OALUTQOASA-N 1 1 459.566 4.359 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849514864 1069099907 /nfs/dbraw/zinc/09/99/07/1069099907.db2.gz AZNYZBBQQHQLFT-PMACEKPBSA-N 1 1 462.063 4.079 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849515113 1069099967 /nfs/dbraw/zinc/09/99/67/1069099967.db2.gz FFRHSCMDKIALBC-RBUKOAKNSA-N 1 1 475.424 4.424 20 0 JIADMO 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 1069104484 /nfs/dbraw/zinc/10/44/84/1069104484.db2.gz ANUOAMVCCFIXME-UXHICEINSA-N 1 1 493.574 4.129 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849517965 1069105944 /nfs/dbraw/zinc/10/59/44/1069105944.db2.gz GEDVZKIDNVENAC-BJKOFHAPSA-N 1 1 464.541 4.231 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518632 1069110007 /nfs/dbraw/zinc/11/00/07/1069110007.db2.gz SGTHKYLCTRWBNK-NHCUHLMSSA-N 1 1 474.531 4.136 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518614 1069110064 /nfs/dbraw/zinc/11/00/64/1069110064.db2.gz OGPCEXJSIVPGEA-DQEYMECFSA-N 1 1 471.605 4.076 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518623 1069110153 /nfs/dbraw/zinc/11/01/53/1069110153.db2.gz SBVGNCRSBXCBML-WDYNHAJCSA-N 1 1 496.659 4.462 20 0 JIADMO COc1ccc(-c2cc(NC(=O)[C@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)n(-c3cccc(C)c3)n2)cc1 ZINC000849518639 1069110257 /nfs/dbraw/zinc/11/02/57/1069110257.db2.gz SHIXLMKMWBNOLV-LOSJGSFVSA-N 1 1 484.604 4.264 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2)cc1Br ZINC000849521441 1069114153 /nfs/dbraw/zinc/11/41/53/1069114153.db2.gz SOMROHCMPBGTAE-ZFGGDYGUSA-N 1 1 497.437 4.132 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849521965 1069115121 /nfs/dbraw/zinc/11/51/21/1069115121.db2.gz IFPMAWSCANBABH-RPBOFIJWSA-N 1 1 472.593 4.099 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849522790 1069115844 /nfs/dbraw/zinc/11/58/44/1069115844.db2.gz ORVRCIDDXRJXLE-DQEYMECFSA-N 1 1 472.593 4.099 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cn1 ZINC000849521814 1069115985 /nfs/dbraw/zinc/11/59/85/1069115985.db2.gz VHYKHDOOADURSZ-RTWAWAEBSA-N 1 1 464.532 4.325 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cn1 ZINC000849522713 1069116786 /nfs/dbraw/zinc/11/67/86/1069116786.db2.gz NOURWTFEMNHDFU-WOJBJXKFSA-N 1 1 459.472 4.300 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)cn1 ZINC000849524906 1069118329 /nfs/dbraw/zinc/11/83/29/1069118329.db2.gz KWPYEXYZVFEZRA-DHIUTWEWSA-N 1 1 499.537 4.043 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849524757 1069119191 /nfs/dbraw/zinc/11/91/91/1069119191.db2.gz KFGHQJIPGOJYIM-SDHOMARFSA-N 1 1 472.077 4.058 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849525628 1069122603 /nfs/dbraw/zinc/12/26/03/1069122603.db2.gz RFSHWVDHYOVOSI-VWNXMTODSA-N 1 1 451.590 4.261 20 0 JIADMO Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)ccc1Cl ZINC000849526932 1069124391 /nfs/dbraw/zinc/12/43/91/1069124391.db2.gz IOTZLFVVFULWJX-VXKWHMMOSA-N 1 1 477.012 4.454 20 0 JIADMO Cc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2ccc(F)cc2Cl)cc1 ZINC000849527678 1069128234 /nfs/dbraw/zinc/12/82/34/1069128234.db2.gz XKRAHXYLZYDEON-BKULYWANSA-N 1 1 454.977 4.462 20 0 JIADMO Cc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccc(F)cc2Cl)cc1 ZINC000849527687 1069128426 /nfs/dbraw/zinc/12/84/26/1069128426.db2.gz XKRAHXYLZYDEON-SFLYRZDNSA-N 1 1 454.977 4.462 20 0 JIADMO COc1ccccc1CN(C[C@@H]1CCCO1)c1nnc(C)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300600188 1069186093 /nfs/dbraw/zinc/18/60/93/1069186093.db2.gz VKDMNXZNAJVDIA-IMSXRSKXSA-N 1 1 455.647 4.149 20 0 JIADMO COc1ccc(C2(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)CCCCC2)cc1OC ZINC000849547945 1069186351 /nfs/dbraw/zinc/18/63/51/1069186351.db2.gz LIXCXESAYYMQBS-ZEQRLZLVSA-N 1 1 482.669 4.270 20 0 JIADMO COc1ccc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1NC(=O)C1CCCCC1 ZINC000849548936 1069188084 /nfs/dbraw/zinc/18/80/84/1069188084.db2.gz QNIPAPAUXSDIDJ-DHIUTWEWSA-N 1 1 481.641 4.400 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849549983 1069191040 /nfs/dbraw/zinc/19/10/40/1069191040.db2.gz XDKRAEVQIVCMAV-SFTDATJTSA-N 1 1 460.504 4.077 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)c(C)c1 ZINC000849552489 1069191985 /nfs/dbraw/zinc/19/19/85/1069191985.db2.gz IUHLNRWJAAJVNI-VTZPFEBOSA-N 1 1 467.013 4.332 20 0 JIADMO Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n1C ZINC000849553315 1069194899 /nfs/dbraw/zinc/19/48/99/1069194899.db2.gz RELPGMXNOTWPEA-NHCUHLMSSA-N 1 1 499.457 4.344 20 0 JIADMO Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849552810 1069196180 /nfs/dbraw/zinc/19/61/80/1069196180.db2.gz GTQJALFMKYCECR-YADHBBJMSA-N 1 1 450.549 4.176 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)cn1 ZINC000849554164 1069197033 /nfs/dbraw/zinc/19/70/33/1069197033.db2.gz UZLSIKRBZZAAPQ-UXHICEINSA-N 1 1 458.488 4.252 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849558713 1069206635 /nfs/dbraw/zinc/20/66/35/1069206635.db2.gz PPOPEFISKJXCKK-FPOVZHCZSA-N 1 1 467.614 4.170 20 0 JIADMO 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 1069210272 /nfs/dbraw/zinc/21/02/72/1069210272.db2.gz BEYSFKAEQFQCNL-UFYCRDLUSA-N 1 1 465.425 4.221 20 0 JIADMO CC[C@H](Cc1ccccc1Br)NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849560668 1069210482 /nfs/dbraw/zinc/21/04/82/1069210482.db2.gz DKADEKVCYKJMCU-HKBOAZHASA-N 1 1 461.448 4.134 20 0 JIADMO CCC1(CC)CN(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccc(Br)cc21 ZINC000849565122 1069214052 /nfs/dbraw/zinc/21/40/52/1069214052.db2.gz TZZNBZHIIWVFOR-MOPGFXCFSA-N 1 1 459.432 4.323 20 0 JIADMO CCC1(CC)CN(C(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c2ccc(Br)cc21 ZINC000849565124 1069214436 /nfs/dbraw/zinc/21/44/36/1069214436.db2.gz TZZNBZHIIWVFOR-RBUKOAKNSA-N 1 1 459.432 4.323 20 0 JIADMO Cc1sc([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)nc1-c1ccc(Cl)cc1 ZINC000849565664 1069217057 /nfs/dbraw/zinc/21/70/57/1069217057.db2.gz ZJARUQUZZNOLTP-GKCIPKSASA-N 1 1 458.031 4.418 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(Br)cc2C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849572379 1069223001 /nfs/dbraw/zinc/22/30/01/1069223001.db2.gz OGARFEFORJMIAK-QZTJIDSGSA-N 1 1 487.364 4.332 20 0 JIADMO CCCc1c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1cccc(F)c1 ZINC000849570720 1069223116 /nfs/dbraw/zinc/22/31/16/1069223116.db2.gz ASTWBFHCHBUKMR-VXKWHMMOSA-N 1 1 452.578 4.150 20 0 JIADMO C[N@H+]1CCN(C(=O)CCCCc2ccc(I)cc2)C2(CCCCC2)C1 ZINC001354440364 1069223278 /nfs/dbraw/zinc/22/32/78/1069223278.db2.gz CGSKKIMMYMJOMH-UHFFFAOYSA-N 1 1 454.396 4.481 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(Oc3cccc(Br)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849573150 1069224248 /nfs/dbraw/zinc/22/42/48/1069224248.db2.gz PLGWZYIYKIZAJL-GOTSBHOMSA-N 1 1 489.458 4.067 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(Oc3cccc(Br)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849573149 1069224282 /nfs/dbraw/zinc/22/42/82/1069224282.db2.gz PLGWZYIYKIZAJL-DHIUTWEWSA-N 1 1 489.458 4.067 20 0 JIADMO CCC(CC)(CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(OC)c(OC)c1 ZINC000849576358 1069228157 /nfs/dbraw/zinc/22/81/57/1069228157.db2.gz CUMBHVIUBCOOTD-GOTSBHOMSA-N 1 1 470.658 4.125 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)[C@H](c2cnn(C)c2)C1 ZINC000849576012 1069229015 /nfs/dbraw/zinc/22/90/15/1069229015.db2.gz BXGLHRQDGNDYOT-FKBYEOEOSA-N 1 1 477.422 4.499 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(CC3CCCC3)n2CCSC(C)C)CC1 ZINC001300615565 1069229082 /nfs/dbraw/zinc/22/90/82/1069229082.db2.gz VHKSIMCZMZZIDL-UHFFFAOYSA-N 1 1 457.688 4.483 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(C)C)CC1 ZINC001300615537 1069229285 /nfs/dbraw/zinc/22/92/85/1069229285.db2.gz UYYWWEIRVHRQMY-UHFFFAOYSA-N 1 1 487.446 4.413 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cn1 ZINC000849576125 1069229318 /nfs/dbraw/zinc/22/93/18/1069229318.db2.gz CLPLRJXGTBXYOI-UXHICEINSA-N 1 1 469.948 4.139 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)cn1 ZINC000849579613 1069231565 /nfs/dbraw/zinc/23/15/65/1069231565.db2.gz XQWOWMHFZCSYFH-ACRUOGEOSA-N 1 1 463.395 4.015 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3ccccc3Br)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849581329 1069231914 /nfs/dbraw/zinc/23/19/14/1069231914.db2.gz GOVVRPIJJBAXGX-FCHUYYIVSA-N 1 1 473.459 4.403 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc3cc(F)c(Br)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC000849582033 1069233190 /nfs/dbraw/zinc/23/31/90/1069233190.db2.gz KDURYRVXCHZBGA-ZIAGYGMSSA-N 1 1 480.407 4.384 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2cccc(Br)c2)CC2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849583822 1069234947 /nfs/dbraw/zinc/23/49/47/1069234947.db2.gz VHUTZIBBTQRZME-GOTSBHOMSA-N 1 1 473.459 4.435 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849585208 1069235565 /nfs/dbraw/zinc/23/55/65/1069235565.db2.gz AEFBIYXZMWSXER-IRXDYDNUSA-N 1 1 458.912 4.467 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)[C@@H](c2cnn(C)c2)C1 ZINC000849585765 1069237377 /nfs/dbraw/zinc/23/73/77/1069237377.db2.gz AZDNBEJRTVERBM-JTHBVZDNSA-N 1 1 460.626 4.411 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Br)c3cccnc23)[C@@H](c2cnn(C)c2)C1 ZINC000849589246 1069240499 /nfs/dbraw/zinc/24/04/99/1069240499.db2.gz WFFSKTFTTWDWDG-SJLPKXTDSA-N 1 1 456.388 4.183 20 0 JIADMO 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 1069240610 /nfs/dbraw/zinc/24/06/10/1069240610.db2.gz UYWIFGXTVKUPFP-FUDKSRODSA-N 1 1 466.523 4.350 20 0 JIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001354466362 1069240991 /nfs/dbraw/zinc/24/09/91/1069240991.db2.gz QWXSZKQJIKLAJR-ZEQRLZLVSA-N 1 1 451.611 4.103 20 0 JIADMO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849589717 1069241845 /nfs/dbraw/zinc/24/18/45/1069241845.db2.gz SYOWPGPODQWEAA-RZUBCFFCSA-N 1 1 473.459 4.360 20 0 JIADMO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849589715 1069242423 /nfs/dbraw/zinc/24/24/23/1069242423.db2.gz SYOWPGPODQWEAA-KCZVDYSFSA-N 1 1 473.459 4.360 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc3c(cccc3Br)s2)[C@H](c2cnn(C)c2)C1 ZINC000849590994 1069243097 /nfs/dbraw/zinc/24/30/97/1069243097.db2.gz BGOATUOARPKYQE-GJZGRUSLSA-N 1 1 462.417 4.245 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(F)c(Br)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849592202 1069243679 /nfs/dbraw/zinc/24/36/79/1069243679.db2.gz KERUOGCBQGFBGI-GJZGRUSLSA-N 1 1 457.775 4.428 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)[C@@H](c2cnn(C)c2)C1 ZINC000849590548 1069243855 /nfs/dbraw/zinc/24/38/55/1069243855.db2.gz BSLTWFGLWPSUFD-RTBURBONSA-N 1 1 463.598 4.050 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849594136 1069246518 /nfs/dbraw/zinc/24/65/18/1069246518.db2.gz SZMGRTSUIYWSOH-ZJSXRUAMSA-N 1 1 451.590 4.261 20 0 JIADMO 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 1069247058 /nfs/dbraw/zinc/24/70/58/1069247058.db2.gz IUTDSCXFBANAFI-AAIMPIBUSA-N 1 1 477.584 4.033 20 0 JIADMO COc1ccccc1O[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300622882 1069249421 /nfs/dbraw/zinc/24/94/21/1069249421.db2.gz UAELSZJGZQAFRH-HXUWFJFHSA-N 1 1 453.587 4.243 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)cn1 ZINC000849595949 1069250152 /nfs/dbraw/zinc/25/01/52/1069250152.db2.gz MKAZILSXKIORSB-ISJGIBHGSA-N 1 1 467.013 4.183 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)cn1 ZINC000849595946 1069250280 /nfs/dbraw/zinc/25/02/80/1069250280.db2.gz MKAZILSXKIORSB-CCDWMCETSA-N 1 1 467.013 4.183 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC2(c3ccc(Br)cc3Cl)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849598494 1069252893 /nfs/dbraw/zinc/25/28/93/1069252893.db2.gz ZZVGBNACGFJYPY-MOPGFXCFSA-N 1 1 493.877 4.498 20 0 JIADMO Cc1cc(CC(C)(C)NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1Br ZINC000849596881 1069253218 /nfs/dbraw/zinc/25/32/18/1069253218.db2.gz QBVQYYIYXYXVHU-RTWAWAEBSA-N 1 1 475.475 4.442 20 0 JIADMO 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 1069253755 /nfs/dbraw/zinc/25/37/55/1069253755.db2.gz VKFFHTSQNRROEZ-HUUCEWRRSA-N 1 1 464.410 4.054 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849597996 1069254086 /nfs/dbraw/zinc/25/40/86/1069254086.db2.gz WOAYAYWXJFNWAT-AJSBUHFISA-N 1 1 473.459 4.088 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)cn1 ZINC000849601462 1069257818 /nfs/dbraw/zinc/25/78/18/1069257818.db2.gz KSBQQNFDRDUTLP-DNQXCXABSA-N 1 1 481.641 4.209 20 0 JIADMO 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 1069261388 /nfs/dbraw/zinc/26/13/88/1069261388.db2.gz CNYQJKQLQAMUAI-SFTDATJTSA-N 1 1 474.531 4.386 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)[C@H](c2cnn(C)c2)C1 ZINC000849606261 1069262178 /nfs/dbraw/zinc/26/21/78/1069262178.db2.gz NMRGWTAGVLZWQZ-IRXDYDNUSA-N 1 1 489.443 4.154 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Cl)c(I)c2)[C@H](c2cnn(C)c2)C1 ZINC000849605920 1069262366 /nfs/dbraw/zinc/26/23/66/1069262366.db2.gz KMBLWAIIQTZIES-HOTGVXAUSA-N 1 1 486.785 4.131 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NC2(c3ccc(Br)cc3)CCCCC2)cn1 ZINC000849607989 1069264368 /nfs/dbraw/zinc/26/43/68/1069264368.db2.gz MOVZJLRTQLESSM-RTWAWAEBSA-N 1 1 459.432 4.194 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)[C@@H](c2cnn(C)c2)C1 ZINC000849608330 1069264416 /nfs/dbraw/zinc/26/44/16/1069264416.db2.gz OJPWKBMAXOSUDJ-LSDHHAIUSA-N 1 1 477.432 4.087 20 0 JIADMO CCCCOc1ccc(-c2csc(NC(=O)[C@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)n2)cc1 ZINC000849607866 1069264839 /nfs/dbraw/zinc/26/48/39/1069264839.db2.gz ZKIYQBQUNMSSHU-LEWJYISDSA-N 1 1 453.612 4.397 20 0 JIADMO COc1ccccc1OCc1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001300628059 1069266483 /nfs/dbraw/zinc/26/64/83/1069266483.db2.gz PXBRSHVJAPMWKH-YTFSRNRJSA-N 1 1 485.673 4.237 20 0 JIADMO COc1ccccc1OCc1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001300628061 1069266533 /nfs/dbraw/zinc/26/65/33/1069266533.db2.gz PXBRSHVJAPMWKH-ZRBLBEILSA-N 1 1 485.673 4.237 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC2(Cc3ccc(Br)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849611336 1069270066 /nfs/dbraw/zinc/27/00/66/1069270066.db2.gz WOSWVCDAHNLVPX-YADHBBJMSA-N 1 1 473.459 4.136 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc3c(Cl)ccc(Br)c3n2)cn1 ZINC000849611744 1069273420 /nfs/dbraw/zinc/27/34/20/1069273420.db2.gz ABAXQSWOWHSXAD-DZGCQCFKSA-N 1 1 462.779 4.058 20 0 JIADMO COc1ccccc1OCc1nnc(N(C)CC2CC(F)(F)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300631810 1069281056 /nfs/dbraw/zinc/28/10/56/1069281056.db2.gz SKNKLZMMMMPGGW-OALUTQOASA-N 1 1 477.600 4.468 20 0 JIADMO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000061695609 563209550 /nfs/dbraw/zinc/20/95/50/563209550.db2.gz MKNNWVHPBTUYHG-DLBZAZTESA-N 1 1 450.004 4.192 20 0 JIADMO CN(C)C(=O)c1cc2cnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2n1C1CCCC1 ZINC001164621097 719078535 /nfs/dbraw/zinc/07/85/35/719078535.db2.gz HAVJNTRHCLAAOZ-SQJMNOBHSA-N 1 1 472.637 4.349 20 0 JIADMO CN(C)C(=O)c1cc2cnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2n1C1CCCC1 ZINC001164621096 719078882 /nfs/dbraw/zinc/07/88/82/719078882.db2.gz HAVJNTRHCLAAOZ-PXDATVDWSA-N 1 1 472.637 4.349 20 0 JIADMO O=C(c1cccnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CCN(Cc2ccccc2)CC1 ZINC001164628976 719087008 /nfs/dbraw/zinc/08/70/08/719087008.db2.gz PHHHQGBGBFBLEC-YTMVLYRLSA-N 1 1 495.671 4.140 20 0 JIADMO COc1ccc(Cn2cc3[nH]c(N4CCC[C@@H]5C[N@@H+](Cc6ccccc6)C[C@@H]54)ccc-3c2=O)cc1 ZINC001164629030 719095433 /nfs/dbraw/zinc/09/54/33/719095433.db2.gz QBAMQMROZKCRQZ-KCWPFWIISA-N 1 1 468.601 4.347 20 0 JIADMO COc1ccc(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)c(OC)c1OC ZINC001164628021 719106431 /nfs/dbraw/zinc/10/64/31/719106431.db2.gz LVCMJQTWHGGTTE-NZQKXSOJSA-N 1 1 460.578 4.270 20 0 JIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)CC2 ZINC001164653580 719315953 /nfs/dbraw/zinc/31/59/53/719315953.db2.gz WTOSQJWCTLTPMF-UHFFFAOYSA-N 1 1 461.948 4.139 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)nc1 ZINC001164655769 719322509 /nfs/dbraw/zinc/32/25/09/719322509.db2.gz XWSNYJWAUQMELY-RPLLCQBOSA-N 1 1 479.600 4.199 20 0 JIADMO CCOC[C@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)Cc2nn(CC3CC3)cc21 ZINC001164665888 719363157 /nfs/dbraw/zinc/36/31/57/719363157.db2.gz ZANPUWJFRRTLAQ-XMMPIXPASA-N 1 1 457.622 4.387 20 0 JIADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3c1c(-c1ccccc1)cn3-c1ccccc1)CC2 ZINC001164689349 719740076 /nfs/dbraw/zinc/74/00/76/719740076.db2.gz CCBYCCYNOZZMMH-UHFFFAOYSA-N 1 1 480.616 4.268 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c(Cl)n1 ZINC001164694431 719808017 /nfs/dbraw/zinc/80/80/17/719808017.db2.gz XONCACATNBDGDL-UHFFFAOYSA-N 1 1 470.973 4.466 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c(Cl)n1 ZINC001164694431 719808020 /nfs/dbraw/zinc/80/80/20/719808020.db2.gz XONCACATNBDGDL-UHFFFAOYSA-N 1 1 470.973 4.466 20 0 JIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2c(Cl)nnc(Cl)c2N2CCOCC2)CC3)cs1 ZINC001164699183 719817104 /nfs/dbraw/zinc/81/71/04/719817104.db2.gz GUJSXYPWZLJAGF-UHFFFAOYSA-N 1 1 483.469 4.020 20 0 JIADMO Cn1cc([C@H]2COC3(C2)CCN(c2nc(C[NH+]4CCCCC4)nc4sc5c(c42)CCC5)CC3)cn1 ZINC001164698842 719826383 /nfs/dbraw/zinc/82/63/83/719826383.db2.gz VKRYHUNTXNRIAN-LJQANCHMSA-N 1 1 492.693 4.443 20 0 JIADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2F)nc2ccc(Cl)cc21 ZINC001164701380 719847704 /nfs/dbraw/zinc/84/77/04/719847704.db2.gz MAMMWFGDVDCRQE-QYBDOPJKSA-N 1 1 498.986 4.322 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)C2 ZINC001164814147 720090563 /nfs/dbraw/zinc/09/05/63/720090563.db2.gz VOXVZECXMDRLFQ-VFNWGFHPSA-N 1 1 454.924 4.152 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)CC2 ZINC001164710303 720093800 /nfs/dbraw/zinc/09/38/00/720093800.db2.gz IITSIPDEWOZRPE-MRXNPFEDSA-N 1 1 461.397 4.167 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001164711163 720096349 /nfs/dbraw/zinc/09/63/49/720096349.db2.gz OUFKYFOMOBWLPN-INIZCTEOSA-N 1 1 472.367 4.231 20 0 JIADMO COCc1cc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc(-c2ccccc2)n1 ZINC001164712078 720098460 /nfs/dbraw/zinc/09/84/60/720098460.db2.gz VCCMZNLYFUUBJT-VWLOTQADSA-N 1 1 473.621 4.193 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1Cl ZINC001164714918 720105755 /nfs/dbraw/zinc/10/57/55/720105755.db2.gz FFOXJKCQVAREIA-SFHVURJKSA-N 1 1 493.435 4.468 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CCCCC3)CC2 ZINC001164714193 720115113 /nfs/dbraw/zinc/11/51/13/720115113.db2.gz ALSSEVYPCKODKC-HXUWFJFHSA-N 1 1 456.034 4.301 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164719109 720116358 /nfs/dbraw/zinc/11/63/58/720116358.db2.gz WGEUOYOMKDPVSA-QGZVFWFLSA-N 1 1 454.924 4.322 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc3cc(OC)c(OC)cc3n1)CC2 ZINC001164718652 720125502 /nfs/dbraw/zinc/12/55/02/720125502.db2.gz UKNUOEOORMEFTC-JOCHJYFZSA-N 1 1 462.594 4.155 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cccc(C)c31)CC2 ZINC001164713531 720130452 /nfs/dbraw/zinc/13/04/52/720130452.db2.gz RKMLPARXRPFPIE-FQEVSTJZSA-N 1 1 452.002 4.494 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(OC)cc3)nn1)CC2 ZINC001164711093 720141550 /nfs/dbraw/zinc/14/15/50/720141550.db2.gz FIQKIONMAMFBSI-QHCPKHFHSA-N 1 1 459.594 4.055 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3ccccc3OC)ncn1)CC2 ZINC001164710811 720145007 /nfs/dbraw/zinc/14/50/07/720145007.db2.gz DAGHTHOQRGXWCI-QFIPXVFZSA-N 1 1 459.594 4.055 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3sc(C)nc3C)nn1)CC2 ZINC001164714411 720151414 /nfs/dbraw/zinc/15/14/14/720151414.db2.gz XDBVXROORZUURJ-OAQYLSRUSA-N 1 1 464.639 4.119 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]c4cc(F)ccc4c31)CC2 ZINC001164714519 720157432 /nfs/dbraw/zinc/15/74/32/720157432.db2.gz QECFKVUAGIFFRG-FQEVSTJZSA-N 1 1 460.557 4.153 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(F)ccc3c(Cl)ncnc31)CC2 ZINC001164714457 720157975 /nfs/dbraw/zinc/15/79/75/720157975.db2.gz PMTQITQLTSICCY-GOSISDBHSA-N 1 1 455.965 4.325 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164819754 720168347 /nfs/dbraw/zinc/16/83/47/720168347.db2.gz YBFNEFLDAPBACR-CUNXSJBXSA-N 1 1 483.726 4.479 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164817530 720169725 /nfs/dbraw/zinc/16/97/25/720169725.db2.gz PSTYKUPICKJPLQ-LVXARBLLSA-N 1 1 469.699 4.089 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(N4CCCCC4)cc3)nn1)C2 ZINC001164816637 720188928 /nfs/dbraw/zinc/18/89/28/720188928.db2.gz LXLJXYVFESXHNS-UFHPHHKVSA-N 1 1 461.654 4.319 20 0 JIADMO Cc1nc(-c2ccccc2Cl)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1C ZINC001164814050 720242406 /nfs/dbraw/zinc/24/24/06/720242406.db2.gz UFQBGUAJFFCGHY-UHFFFAOYSA-N 1 1 467.017 4.221 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)n1 ZINC001164820281 720281371 /nfs/dbraw/zinc/28/13/71/720281371.db2.gz VJBIFPWQANYSAB-RUZDIDTESA-N 1 1 455.672 4.379 20 0 JIADMO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721133 720336391 /nfs/dbraw/zinc/33/63/91/720336391.db2.gz ANCVBZOFHRJZRO-NHCUHLMSSA-N 1 1 499.949 4.280 20 0 JIADMO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721133 720336401 /nfs/dbraw/zinc/33/64/01/720336401.db2.gz ANCVBZOFHRJZRO-NHCUHLMSSA-N 1 1 499.949 4.280 20 0 JIADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726701 720350150 /nfs/dbraw/zinc/35/01/50/720350150.db2.gz RCPBHVLHUAOGIW-LOSJGSFVSA-N 1 1 467.573 4.466 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@@H](c4nc(C)no4)CC[C@@H]32)n1 ZINC001164826777 720408385 /nfs/dbraw/zinc/40/83/85/720408385.db2.gz CTPSDLSHZGOIAF-OKZBNKHCSA-N 1 1 456.616 4.340 20 0 JIADMO c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164735118 720440530 /nfs/dbraw/zinc/44/05/30/720440530.db2.gz WEYLMMYGMZDWAI-FGZHOGPDSA-N 1 1 474.678 4.414 20 0 JIADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164732918 720440882 /nfs/dbraw/zinc/44/08/82/720440882.db2.gz OUUHVCHTBGTWJO-NHCUHLMSSA-N 1 1 450.656 4.398 20 0 JIADMO c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001164734824 720440980 /nfs/dbraw/zinc/44/09/80/720440980.db2.gz UZDSJTGWVYMDEU-YADHBBJMSA-N 1 1 474.678 4.414 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCCC3)C2)n1 ZINC001164834901 720502633 /nfs/dbraw/zinc/50/26/33/720502633.db2.gz HYLHRLBBZUVPPR-VSKRKVRLSA-N 1 1 499.725 4.394 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839060 720520106 /nfs/dbraw/zinc/52/01/06/720520106.db2.gz SJSHTLIYMKBOMH-DJPFJPOOSA-N 1 1 460.960 4.402 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@]5(CCC[C@@H]5COc5ccccn5)C4)ccc3C2)cc1 ZINC001164736230 720538642 /nfs/dbraw/zinc/53/86/42/720538642.db2.gz WDOYMMJKIWZTCL-VAVYLYDRSA-N 1 1 470.617 4.489 20 0 JIADMO CC(C)[N@H+]1[C@@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4sc5c(c43)CC[C@@H](C)C5)CC[C@H]21 ZINC001164836775 720539906 /nfs/dbraw/zinc/53/99/06/720539906.db2.gz KXADTHAVVKNILJ-ANTGDGSKSA-N 1 1 450.656 4.390 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842951 720561544 /nfs/dbraw/zinc/56/15/44/720561544.db2.gz ZBUWLQWOXVBLPZ-WSTZPKSXSA-N 1 1 460.022 4.265 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc(Cc4ccccc4)n3)CC[C@@H]21 ZINC001164836725 720580537 /nfs/dbraw/zinc/58/05/37/720580537.db2.gz GPIYRUCKXLSWTF-PMVMPFDFSA-N 1 1 451.018 4.295 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838720 720610732 /nfs/dbraw/zinc/61/07/32/720610732.db2.gz KZXHXFRLAOJNNE-FUHIMQAGSA-N 1 1 450.965 4.127 20 0 JIADMO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164842851 720633565 /nfs/dbraw/zinc/63/35/65/720633565.db2.gz VWGHEDSXSHZVNR-QHAWAJNXSA-N 1 1 452.006 4.075 20 0 JIADMO COc1ccc(Cc2c(C)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2C)cc1 ZINC001164836209 720636644 /nfs/dbraw/zinc/63/66/44/720636644.db2.gz FHWDEOIHJVDPLP-FKCDAAJZSA-N 1 1 474.653 4.267 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)Oc3ccc(Cl)nc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839273 720638320 /nfs/dbraw/zinc/63/83/20/720638320.db2.gz NBXOPJNMQGNNOI-HRCADAONSA-N 1 1 460.356 4.387 20 0 JIADMO Fc1ccccc1-c1nc2ccc(Cl)cc2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737775 720660779 /nfs/dbraw/zinc/66/07/79/720660779.db2.gz GXQJGEZYIIAPNN-QZTJIDSGSA-N 1 1 476.943 4.221 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CC2 ZINC001164838166 720706191 /nfs/dbraw/zinc/70/61/91/720706191.db2.gz GZVBKYNIRAVXIA-INIZCTEOSA-N 1 1 454.974 4.224 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164841770 720722132 /nfs/dbraw/zinc/72/21/32/720722132.db2.gz WUDCFOGQSUTJMN-HSZRJFAPSA-N 1 1 454.578 4.075 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164841771 720723299 /nfs/dbraw/zinc/72/32/99/720723299.db2.gz WUDCFOGQSUTJMN-QHCPKHFHSA-N 1 1 454.578 4.075 20 0 JIADMO c1ncn(C[C@H]2C[C@@H]3CN(c4nc5ccccc5c(-c5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744599 720826840 /nfs/dbraw/zinc/82/68/40/720826840.db2.gz VMRWFYVIYRRZPG-JQYIIUTOSA-N 1 1 465.605 4.268 20 0 JIADMO COC[C@]12CCCO[C@@H]1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164846730 720828193 /nfs/dbraw/zinc/82/81/93/720828193.db2.gz GDUNHISWWYEUOF-KAWPREARSA-N 1 1 470.683 4.434 20 0 JIADMO c1ncn(C[C@H]2C[C@@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746596 720845337 /nfs/dbraw/zinc/84/53/37/720845337.db2.gz PBQBFQWXWGFCCB-PRVBGKCFSA-N 1 1 479.632 4.192 20 0 JIADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739513 720850190 /nfs/dbraw/zinc/85/01/90/720850190.db2.gz ATZGSPJJWFZNTR-YPAWHYETSA-N 1 1 464.017 4.076 20 0 JIADMO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746826 720861680 /nfs/dbraw/zinc/86/16/80/720861680.db2.gz GPSCXHPMSMXWNG-WAOWUJCRSA-N 1 1 470.980 4.007 20 0 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C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(-c5cc(Cl)ncn5)cc4)C3)O2)CC1 ZINC001164892851 721398680 /nfs/dbraw/zinc/39/86/80/721398680.db2.gz TZWMXTBLKYQNLM-URXFXBBRSA-N 1 1 492.014 4.107 20 0 JIADMO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2c1C ZINC001164791108 721426693 /nfs/dbraw/zinc/42/66/93/721426693.db2.gz ZQIURYZGLPVUHS-OALUTQOASA-N 1 1 468.696 4.319 20 0 JIADMO c1csc(C[N@H+]2C[C@H]3CN(c4nc(-c5cnccn5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164784000 721431948 /nfs/dbraw/zinc/43/19/48/721431948.db2.gz KDFGREZXFIYKFI-IYBDPMFKSA-N 1 1 475.647 4.052 20 0 JIADMO c1csc(C[N@@H+]2C[C@H]3CN(c4nc(-c5cnccn5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164784000 721431949 /nfs/dbraw/zinc/43/19/49/721431949.db2.gz KDFGREZXFIYKFI-IYBDPMFKSA-N 1 1 475.647 4.052 20 0 JIADMO c1csc(C[NH+]2C[C@H]3CN(c4nc(-c5cnccn5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)n1 ZINC001164783971 721432037 /nfs/dbraw/zinc/43/20/37/721432037.db2.gz KDFGREZXFIYKFI-HOTGVXAUSA-N 1 1 475.647 4.052 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)C3)O2)CC1 ZINC001164895770 721443485 /nfs/dbraw/zinc/44/34/85/721443485.db2.gz PHXLHWQZEFCRNH-XUZZJYLKSA-N 1 1 492.014 4.107 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)nc4C(F)(F)F)C3)O2)CC1 ZINC001164888689 721445751 /nfs/dbraw/zinc/44/57/51/721445751.db2.gz AJROKAURMDLZBS-KXBFYZLASA-N 1 1 482.925 4.064 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(C)nc(Cl)c1)CC2 ZINC001164786717 721450696 /nfs/dbraw/zinc/45/06/96/721450696.db2.gz NJQMNHWWVJUKNF-FQEVSTJZSA-N 1 1 457.993 4.322 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(SC)n1)CC2 ZINC001164788564 721452083 /nfs/dbraw/zinc/45/20/83/721452083.db2.gz RJSFSPPLGSCPCH-QGZVFWFLSA-N 1 1 491.048 4.131 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C3)O2)CC1 ZINC001164885505 721453640 /nfs/dbraw/zinc/45/36/40/721453640.db2.gz FAJDLFSAZZVLOR-YADARESESA-N 1 1 483.047 4.314 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1csc3ncnc(Cl)c13)CC2 ZINC001164790305 721457374 /nfs/dbraw/zinc/45/73/74/721457374.db2.gz YAQTVSITQKKXBH-KRWDZBQOSA-N 1 1 451.036 4.079 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccc(OC)cc3nc1Cl)CC2 ZINC001164782797 721457888 /nfs/dbraw/zinc/45/78/88/721457888.db2.gz CHAYITNEGZMNHC-IBGZPJMESA-N 1 1 475.033 4.026 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)c3cccc(C)c31)CC2 ZINC001164786870 721458813 /nfs/dbraw/zinc/45/88/13/721458813.db2.gz QCRDZBKRBOSSFX-FQEVSTJZSA-N 1 1 459.034 4.326 20 0 JIADMO Cc1nc(CN2CC[C@]3(CCCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)C2=O)cs1 ZINC001164886014 721461700 /nfs/dbraw/zinc/46/17/00/721461700.db2.gz GCQJVYLDOKEHQL-QHCPKHFHSA-N 1 1 460.047 4.115 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@H](CCN4C(=O)C(C)C)C3)c2c1C ZINC001164889746 721465398 /nfs/dbraw/zinc/46/53/98/721465398.db2.gz ILZFKBLCNPZPDN-UXHICEINSA-N 1 1 455.672 4.377 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1OCc1ccccc1)CC2 ZINC001164790605 721467034 /nfs/dbraw/zinc/46/70/34/721467034.db2.gz SATORXJVHBAXTN-VWLOTQADSA-N 1 1 465.638 4.395 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3cc(C)ccc3C)nn1)CC2 ZINC001164790645 721468681 /nfs/dbraw/zinc/46/86/81/721468681.db2.gz TVBZEWJPCTVZMO-XMMPIXPASA-N 1 1 464.654 4.494 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@@H](COCc3ccccn3)C2)nc1 ZINC001164892236 721470392 /nfs/dbraw/zinc/47/03/92/721470392.db2.gz PNWTXTFTJDRBIP-RDGATRHJSA-N 1 1 460.626 4.463 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3ccc(SC)cc31)CC2 ZINC001164789528 721471235 /nfs/dbraw/zinc/47/12/35/721471235.db2.gz NOFXODLBUXWQCQ-HXUWFJFHSA-N 1 1 456.656 4.086 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc3cc(OC)c(F)cc31)CC2 ZINC001164786255 721471241 /nfs/dbraw/zinc/47/12/41/721471241.db2.gz ABPDLPOISCUOQK-NRFANRHFSA-N 1 1 457.590 4.116 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(-c3cccc(F)c3)cc1C)CC2 ZINC001164789474 721471362 /nfs/dbraw/zinc/47/13/62/721471362.db2.gz NDSPRJPNBDUGGD-DEOSSOPVSA-N 1 1 468.617 4.325 20 0 JIADMO CNC(=O)N[C@H]1CC2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC2)c2ccc(C)cc21 ZINC001164900159 721491998 /nfs/dbraw/zinc/49/19/98/721491998.db2.gz MWNSQXUTKHMCPI-SANMLTNESA-N 1 1 496.659 4.255 20 0 JIADMO CNC(=O)N[C@H]1CC2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC2)c2ccc(C)cc21 ZINC001164900159 721492004 /nfs/dbraw/zinc/49/20/04/721492004.db2.gz MWNSQXUTKHMCPI-SANMLTNESA-N 1 1 496.659 4.255 20 0 JIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164796941 721501252 /nfs/dbraw/zinc/50/12/52/721501252.db2.gz ZTEFQGQNDDITPS-JOCHJYFZSA-N 1 1 469.939 4.211 20 0 JIADMO CSc1cnc(Cl)c(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164806715 721573467 /nfs/dbraw/zinc/57/34/67/721573467.db2.gz REVNZIKXWJMEKF-QYZOEREBSA-N 1 1 454.974 4.265 20 0 JIADMO CSc1cnc(Cl)c(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164806715 721573469 /nfs/dbraw/zinc/57/34/69/721573469.db2.gz REVNZIKXWJMEKF-QYZOEREBSA-N 1 1 454.974 4.265 20 0 JIADMO Cc1sc2nc(CN3CCCC3)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1C ZINC001164806264 721577657 /nfs/dbraw/zinc/57/76/57/721577657.db2.gz MQVRPUHEKHZEKL-SLSDLSHTSA-N 1 1 492.693 4.167 20 0 JIADMO Cc1sc2nc(CN3CCCC3)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2c1C ZINC001164806264 721577659 /nfs/dbraw/zinc/57/76/59/721577659.db2.gz MQVRPUHEKHZEKL-SLSDLSHTSA-N 1 1 492.693 4.167 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)ncnc32)[C@@H]2CCCO[C@@H]12 ZINC001164806156 721580766 /nfs/dbraw/zinc/58/07/66/721580766.db2.gz MCDRPWCDKBZHSL-SFHLNBCPSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)ncnc32)[C@@H]2CCCO[C@@H]12 ZINC001164806156 721580769 /nfs/dbraw/zinc/58/07/69/721580769.db2.gz MCDRPWCDKBZHSL-SFHLNBCPSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)ncnc32)[C@@H]2CCCO[C@H]12 ZINC001164806154 721581153 /nfs/dbraw/zinc/58/11/53/721581153.db2.gz MCDRPWCDKBZHSL-SBHAEUEKSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)ncnc32)[C@@H]2CCCO[C@H]12 ZINC001164806154 721581156 /nfs/dbraw/zinc/58/11/56/721581156.db2.gz MCDRPWCDKBZHSL-SBHAEUEKSA-N 1 1 459.928 4.091 20 0 JIADMO COc1ccc2nc(C(F)(F)N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc(Cl)c2c1 ZINC001164802617 721581769 /nfs/dbraw/zinc/58/17/69/721581769.db2.gz HEPGXIRTOOKSFM-HKBOAZHASA-N 1 1 489.954 4.100 20 0 JIADMO COc1ccc2nc(C(F)(F)N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc(Cl)c2c1 ZINC001164802617 721581771 /nfs/dbraw/zinc/58/17/71/721581771.db2.gz HEPGXIRTOOKSFM-HKBOAZHASA-N 1 1 489.954 4.100 20 0 JIADMO CCOC(=O)c1sc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1C ZINC001164906135 721584006 /nfs/dbraw/zinc/58/40/06/721584006.db2.gz YYGWPKGGHDBTTP-QHCPKHFHSA-N 1 1 487.576 4.309 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164809484 721586237 /nfs/dbraw/zinc/58/62/37/721586237.db2.gz SKIWWRWKBZGLBL-LSMIHOHGSA-N 1 1 484.648 4.397 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164809484 721586243 /nfs/dbraw/zinc/58/62/43/721586243.db2.gz SKIWWRWKBZGLBL-LSMIHOHGSA-N 1 1 484.648 4.397 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(OCc4ccccc4)ccc32)[C@H]2CCCO[C@@H]12 ZINC001164810801 721589077 /nfs/dbraw/zinc/58/90/77/721589077.db2.gz WEWFUKKYASYGAN-UPRLRBBYSA-N 1 1 481.600 4.472 20 0 JIADMO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc1 ZINC001164811531 721589158 /nfs/dbraw/zinc/58/91/58/721589158.db2.gz YDYWQPNRTORLJQ-PMVMPFDFSA-N 1 1 465.985 4.494 20 0 JIADMO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc1 ZINC001164811531 721589160 /nfs/dbraw/zinc/58/91/60/721589160.db2.gz YDYWQPNRTORLJQ-PMVMPFDFSA-N 1 1 465.985 4.494 20 0 JIADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907382 721705031 /nfs/dbraw/zinc/70/50/31/721705031.db2.gz RIWLCJTUKWDGAB-VWLOTQADSA-N 1 1 498.578 4.111 20 0 JIADMO Cc1nc2c(nc(Cl)nc2N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)s1 ZINC001164908565 721708666 /nfs/dbraw/zinc/70/86/66/721708666.db2.gz YAAUAPBTHHNOQU-IBGZPJMESA-N 1 1 450.946 4.181 20 0 JIADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907332 721710078 /nfs/dbraw/zinc/71/00/78/721710078.db2.gz QZAOCTHQSUTQDY-FQEVSTJZSA-N 1 1 486.897 4.199 20 0 JIADMO CC(C)n1cnc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908527 721717630 /nfs/dbraw/zinc/71/76/30/721717630.db2.gz XHWHVNUWGUSMGD-NRFANRHFSA-N 1 1 461.948 4.193 20 0 JIADMO FC1(F)CCN(c2nc3ccccc3nc2N2CCCC2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907674 721721363 /nfs/dbraw/zinc/72/13/63/721721363.db2.gz SMFJIGJQAUYYKG-VWLOTQADSA-N 1 1 464.564 4.363 20 0 JIADMO COC(=O)c1cc2ccccc2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912615 721726783 /nfs/dbraw/zinc/72/67/83/721726783.db2.gz OWPWQRAKBRJPSD-DEOSSOPVSA-N 1 1 452.505 4.154 20 0 JIADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164909390 721752704 /nfs/dbraw/zinc/75/27/04/721752704.db2.gz QSESYCDQXOEOSY-UHFFFAOYSA-N 1 1 476.911 4.249 20 0 JIADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164909390 721752707 /nfs/dbraw/zinc/75/27/07/721752707.db2.gz QSESYCDQXOEOSY-UHFFFAOYSA-N 1 1 476.911 4.249 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@@H]43)c2c1C ZINC001165020485 721772163 /nfs/dbraw/zinc/77/21/63/721772163.db2.gz YERMKYRSIGILMV-MOPGFXCFSA-N 1 1 465.623 4.238 20 0 JIADMO Cc1sc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1-c1ccccc1 ZINC001164914950 721794508 /nfs/dbraw/zinc/79/45/08/721794508.db2.gz RYLYNJPGZQBWGX-HHHXNRCGSA-N 1 1 487.629 4.170 20 0 JIADMO Cc1sc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1-c1ccccc1 ZINC001164914950 721794513 /nfs/dbraw/zinc/79/45/13/721794513.db2.gz RYLYNJPGZQBWGX-HHHXNRCGSA-N 1 1 487.629 4.170 20 0 JIADMO c1cncc(O[C@H]2CO[C@]3(CCN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C3)C2)c1 ZINC001164916499 721806850 /nfs/dbraw/zinc/80/68/50/721806850.db2.gz PHBXXQPTTVFVSD-NFQMXDRXSA-N 1 1 491.661 4.378 20 0 JIADMO COc1cc2nc(Cl)nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165026682 721808018 /nfs/dbraw/zinc/80/80/18/721808018.db2.gz RZCLBDYLXYBFTJ-NBHGPNQESA-N 1 1 468.001 4.432 20 0 JIADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026152 721821350 /nfs/dbraw/zinc/82/13/50/721821350.db2.gz OFWCUYJWTFSIRI-QSFXBCCZSA-N 1 1 464.944 4.198 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc(N5CCOCC5)cc4)nn3)C[C@H]21 ZINC001165029542 721828482 /nfs/dbraw/zinc/82/84/82/721828482.db2.gz XDDLBCPHJVNABT-KODFZCBSSA-N 1 1 484.648 4.112 20 0 JIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)CC1 ZINC001165023367 721838889 /nfs/dbraw/zinc/83/88/89/721838889.db2.gz VTRIXNUVKUEFPC-UHFFFAOYSA-N 1 1 496.002 4.393 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4COC[C@]4(COCc4ccccn4)C3)c2c1C ZINC001164924394 721839973 /nfs/dbraw/zinc/83/99/73/721839973.db2.gz MHHCUJGIPXHVKU-ZBLYBZFDSA-N 1 1 493.677 4.359 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@@]3(COCc3ccccn3)C2)n1 ZINC001164926784 721840238 /nfs/dbraw/zinc/84/02/38/721840238.db2.gz RZWCPCDAVQHVGR-FQRUVTKNSA-N 1 1 481.666 4.215 20 0 JIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc(Cl)nc(=S)[nH]2)CC1 ZINC001165022999 721843157 /nfs/dbraw/zinc/84/31/57/721843157.db2.gz VVUZXIWXPBLIFH-UHFFFAOYSA-N 1 1 458.962 4.082 20 0 JIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)Cc2nc3c(ncnc3Cl)s2)CC1 ZINC001165031010 721845386 /nfs/dbraw/zinc/84/53/86/721845386.db2.gz OKIXEVVRQHGHEH-UHFFFAOYSA-N 1 1 497.999 4.489 20 0 JIADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938970 721925467 /nfs/dbraw/zinc/92/54/67/721925467.db2.gz FARGFJWQMIEMSZ-UHFFFAOYSA-N 1 1 479.955 4.246 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4nc(C)c(C)c(Cl)n4)CC3)C2)cc1 ZINC001164940734 721928156 /nfs/dbraw/zinc/92/81/56/721928156.db2.gz ZJTDYKXBEUSWKY-UHFFFAOYSA-N 1 1 450.961 4.472 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)nc(NC(=O)c5ccccc5)n4)CC3)C2)cc1 ZINC001164939682 721932386 /nfs/dbraw/zinc/93/23/86/721932386.db2.gz OGNAVPYQIMJWOF-UHFFFAOYSA-N 1 1 471.605 4.217 20 0 JIADMO COc1cccc(-c2nc3ccccc3c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)n2)c1 ZINC001164949955 721980060 /nfs/dbraw/zinc/98/00/60/721980060.db2.gz RUBIYJRSGPHTJW-UHFFFAOYSA-N 1 1 493.611 4.276 20 0 JIADMO COc1cccc(-c2nc3ccccc3c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)n2)c1 ZINC001164949955 721980064 /nfs/dbraw/zinc/98/00/64/721980064.db2.gz RUBIYJRSGPHTJW-UHFFFAOYSA-N 1 1 493.611 4.276 20 0 JIADMO Cc1ccc2c(n1)N(Cc1cccnc1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164951762 722006331 /nfs/dbraw/zinc/00/63/31/722006331.db2.gz IXNDMRANHAYROS-UHFFFAOYSA-N 1 1 477.616 4.160 20 0 JIADMO Cc1ccc2c(n1)N(Cc1cccnc1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164951762 722006333 /nfs/dbraw/zinc/00/63/33/722006333.db2.gz IXNDMRANHAYROS-UHFFFAOYSA-N 1 1 477.616 4.160 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5CCN(C(=O)c6ccco6)[C@@H]5C4)c32)C1 ZINC001164960330 722048361 /nfs/dbraw/zinc/04/83/61/722048361.db2.gz VADJBXHOBOVAGE-WSTZPKSXSA-N 1 1 491.661 4.356 20 0 JIADMO Clc1ccc2c(Cl)nnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164960718 722061515 /nfs/dbraw/zinc/06/15/15/722061515.db2.gz JDCXDKHWJALGEI-UHFFFAOYSA-N 1 1 458.393 4.451 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2cscn2)n1 ZINC001164963658 722065203 /nfs/dbraw/zinc/06/52/03/722065203.db2.gz BVPXYBVDNGAZER-ZWKOTPCHSA-N 1 1 470.668 4.100 20 0 JIADMO O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164966344 722065259 /nfs/dbraw/zinc/06/52/59/722065259.db2.gz REWKGEPDLDQBNV-OALUTQOASA-N 1 1 494.690 4.116 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4[C@H](C3)c3ccccc3[C@H]4NC(=O)N(C)C)c2c1C ZINC001164986017 722098008 /nfs/dbraw/zinc/09/80/08/722098008.db2.gz XRVCTDHIPASJBK-ZFGGDYGUSA-N 1 1 490.677 4.450 20 0 JIADMO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164981533 722143161 /nfs/dbraw/zinc/14/31/61/722143161.db2.gz PGFWIHUMBWGVAC-AVRDEDQJSA-N 1 1 469.948 4.184 20 0 JIADMO Fc1ccc(-c2nc(Cl)cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164985560 722146332 /nfs/dbraw/zinc/14/63/32/722146332.db2.gz ZUTVREFUQIIBAH-PZJWPPBQSA-N 1 1 453.949 4.058 20 0 JIADMO c1ccc2c(c1)cccc2-c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164982780 722148261 /nfs/dbraw/zinc/14/82/61/722148261.db2.gz SLDBGFXUQRHAKE-KCWPFWIISA-N 1 1 451.574 4.419 20 0 JIADMO c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164972718 722154105 /nfs/dbraw/zinc/15/41/05/722154105.db2.gz JCJAIBCWEBXJQJ-UFHPHHKVSA-N 1 1 481.600 4.331 20 0 JIADMO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971186 722155353 /nfs/dbraw/zinc/15/53/53/722155353.db2.gz BCIISJLWIWWSCG-PGRDOPGGSA-N 1 1 469.948 4.184 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164994151 722196242 /nfs/dbraw/zinc/19/62/42/722196242.db2.gz KUTIEDJMWVLLPL-OAQYLSRUSA-N 1 1 453.892 4.451 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164994151 722196244 /nfs/dbraw/zinc/19/62/44/722196244.db2.gz KUTIEDJMWVLLPL-OAQYLSRUSA-N 1 1 453.892 4.451 20 0 JIADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)n2)cc1 ZINC001164997259 722205644 /nfs/dbraw/zinc/20/56/44/722205644.db2.gz XQXMGMPKOIQGKR-VWLOTQADSA-N 1 1 482.581 4.056 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1 ZINC001165000143 722250062 /nfs/dbraw/zinc/25/00/62/722250062.db2.gz DXTCVSGNFPKYJF-BKMJKUGQSA-N 1 1 452.599 4.123 20 0 JIADMO C[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009760 722274059 /nfs/dbraw/zinc/27/40/59/722274059.db2.gz QZBNINKNHUCURZ-JHIRXSEKSA-N 1 1 497.643 4.438 20 0 JIADMO Cc1ccccc1CN(C)c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+](C)C1CCCC1 ZINC001492593510 1069334287 /nfs/dbraw/zinc/33/42/87/1069334287.db2.gz PROBQMDILCENID-UHFFFAOYSA-N 1 1 466.655 4.089 20 0 JIADMO C[NH+]1CCC(CN2CCN(C(=S)Nc3ccc(Br)cc3OC(F)(F)F)CC2)CC1 ZINC001200714410 1069367141 /nfs/dbraw/zinc/36/71/41/1069367141.db2.gz SKQJPTLRHRTMNR-UHFFFAOYSA-N 1 1 495.409 4.004 20 0 JIADMO COc1cc(Br)c(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1OC ZINC001200715384 1069371758 /nfs/dbraw/zinc/37/17/58/1069371758.db2.gz YWSHPEBJUCPIIL-MRXNPFEDSA-N 1 1 453.764 4.405 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCSC(C)(C)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300661390 1069372940 /nfs/dbraw/zinc/37/29/40/1069372940.db2.gz SSGMKBDKTYWQCZ-PMACEKPBSA-N 1 1 473.687 4.318 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCS[C@H](C)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300662079 1069377041 /nfs/dbraw/zinc/37/70/41/1069377041.db2.gz ZQMWZKSONRUEHV-WOJBJXKFSA-N 1 1 473.687 4.318 20 0 JIADMO COc1ccccc1SCc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CC1(C)C ZINC001300668108 1069393232 /nfs/dbraw/zinc/39/32/32/1069393232.db2.gz WUYIFZMZDMULAR-ZCNNSNEGSA-N 1 1 473.687 4.171 20 0 JIADMO COc1ccccc1SCc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CC1(C)C ZINC001300668108 1069393243 /nfs/dbraw/zinc/39/32/43/1069393243.db2.gz WUYIFZMZDMULAR-ZCNNSNEGSA-N 1 1 473.687 4.171 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1ncccc1C ZINC001300676694 1069425622 /nfs/dbraw/zinc/42/56/22/1069425622.db2.gz IFKMEJAZGJVBAW-UHFFFAOYSA-N 1 1 466.655 4.251 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001300676631 1069425662 /nfs/dbraw/zinc/42/56/62/1069425662.db2.gz HPZQMDNYZDNTFW-LEWJYISDSA-N 1 1 473.687 4.051 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC[C@H](C(F)F)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001300678085 1069435443 /nfs/dbraw/zinc/43/54/43/1069435443.db2.gz BTQRVPCWVJYCCD-OALUTQOASA-N 1 1 495.640 4.029 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001359353932 1069437616 /nfs/dbraw/zinc/43/76/16/1069437616.db2.gz SXCUKWIBGCVQMN-WIOPSUGQSA-N 1 1 480.701 4.224 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001359353931 1069437724 /nfs/dbraw/zinc/43/77/24/1069437724.db2.gz SXCUKWIBGCVQMN-RDGATRHJSA-N 1 1 480.701 4.224 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001359354574 1069439497 /nfs/dbraw/zinc/43/94/97/1069439497.db2.gz RBXOZSYWDYDMTP-REWPJTCUSA-N 1 1 496.700 4.041 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC[C@@H](C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001300680584 1069444402 /nfs/dbraw/zinc/44/44/02/1069444402.db2.gz XFNJEULKHZFWNT-NHCUHLMSSA-N 1 1 473.687 4.316 20 0 JIADMO CC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC001359377315 1069482341 /nfs/dbraw/zinc/48/23/41/1069482341.db2.gz XHVMGJBHRGTDSJ-REWPJTCUSA-N 1 1 472.703 4.070 20 0 JIADMO CC(=O)N1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001359377606 1069482879 /nfs/dbraw/zinc/48/28/79/1069482879.db2.gz HFYFNSOSTXKJEB-UHFFFAOYSA-N 1 1 487.092 4.236 20 0 JIADMO 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 1069485193 /nfs/dbraw/zinc/48/51/93/1069485193.db2.gz KLGAHRUZSPIGAR-STWLZBDKSA-N 1 1 498.691 4.188 20 0 JIADMO CC(=O)N1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001359386529 1069495206 /nfs/dbraw/zinc/49/52/06/1069495206.db2.gz GSSNUOFVLFOAFF-QHCPKHFHSA-N 1 1 496.700 4.303 20 0 JIADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC001359385947 1069493473 /nfs/dbraw/zinc/49/34/73/1069493473.db2.gz PPAIIOGYECBPTB-MSOLQXFVSA-N 1 1 491.055 4.305 20 0 JIADMO CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC12CCCCC2 ZINC001359392536 1069497904 /nfs/dbraw/zinc/49/79/04/1069497904.db2.gz VOWNDGWQAPDWQV-HSZRJFAPSA-N 1 1 480.701 4.369 20 0 JIADMO CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC12CCCCC2 ZINC001359391979 1069498003 /nfs/dbraw/zinc/49/80/03/1069498003.db2.gz HWDOOEMQIPQOMC-FCHUYYIVSA-N 1 1 472.722 4.359 20 0 JIADMO CC(C)=CCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001359398563 1069505225 /nfs/dbraw/zinc/50/52/25/1069505225.db2.gz BFYGDXGFIKQJNP-RCZVLFRGSA-N 1 1 496.725 4.224 20 0 JIADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001359416376 1069541749 /nfs/dbraw/zinc/54/17/49/1069541749.db2.gz DINWWYPBEGNNOJ-CVDCTZTESA-N 1 1 473.065 4.216 20 0 JIADMO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001359491009 1069700537 /nfs/dbraw/zinc/70/05/37/1069700537.db2.gz GWUBWDRHMOHSMD-RUZDIDTESA-N 1 1 492.712 4.094 20 0 JIADMO CC(C)(C)c1nnc(N2CC=C(C(F)(F)F)CC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001359502253 1069766570 /nfs/dbraw/zinc/76/65/70/1069766570.db2.gz HNWBQSIFCGBKPB-UHFFFAOYSA-N 1 1 463.548 4.155 20 0 JIADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1Cc1cc(Cl)ccc1OC(F)F ZINC001359515122 1069801549 /nfs/dbraw/zinc/80/15/49/1069801549.db2.gz KIZLWGKDXYKCNT-GOSISDBHSA-N 1 1 483.991 4.180 20 0 JIADMO CC(C)(C)Cc1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1Cc1c(F)cccc1Cl ZINC001359528022 1069817951 /nfs/dbraw/zinc/81/79/51/1069817951.db2.gz DNMVGUVPPKTURS-QHCPKHFHSA-N 1 1 450.002 4.009 20 0 JIADMO CC(C)(C)Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001359529604 1069819949 /nfs/dbraw/zinc/81/99/49/1069819949.db2.gz ADYMYINEFXBVQI-OAQYLSRUSA-N 1 1 496.700 4.276 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001359534755 1069827906 /nfs/dbraw/zinc/82/79/06/1069827906.db2.gz CEOKNELXFAWFGS-SFHVURJKSA-N 1 1 497.610 4.034 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001359534755 1069827908 /nfs/dbraw/zinc/82/79/08/1069827908.db2.gz CEOKNELXFAWFGS-SFHVURJKSA-N 1 1 497.610 4.034 20 0 JIADMO CC(C)(C)Cc1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1sccc1Br ZINC001359541426 1069838766 /nfs/dbraw/zinc/83/87/66/1069838766.db2.gz ZFVSOORFZOFDOO-OAHLLOKOSA-N 1 1 452.466 4.414 20 0 JIADMO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@H+]2CCCC[C@H]2C)CC1(C)C ZINC001300794359 1069845332 /nfs/dbraw/zinc/84/53/32/1069845332.db2.gz JSCSUWRVFXUWEA-YLJYHZDGSA-N 1 1 493.494 4.172 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)c2ccccc2)CC1 ZINC001359547622 1069853345 /nfs/dbraw/zinc/85/33/45/1069853345.db2.gz WPGNKVUEGQRBCI-UHFFFAOYSA-N 1 1 483.567 4.028 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCSC2)CC1 ZINC001359548487 1069855320 /nfs/dbraw/zinc/85/53/20/1069855320.db2.gz COYSTCDIGIUJFZ-LJQANCHMSA-N 1 1 461.651 4.450 20 0 JIADMO CC(C)(C)Oc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cn1 ZINC001359578775 1069992218 /nfs/dbraw/zinc/99/22/18/1069992218.db2.gz RULJWLHEUHSPFG-HXUWFJFHSA-N 1 1 456.635 4.061 20 0 JIADMO CC(C)(C)[S@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001359589262 1070025853 /nfs/dbraw/zinc/02/58/53/1070025853.db2.gz ICAPDNICXFLXND-UUWRZZSWSA-N 1 1 493.668 4.149 20 0 JIADMO CC(C)(Cn1c(-c2cccc(Br)c2)nnc1N1CCCC1(C)C)[NH+]1CCOCC1 ZINC001359593926 1070039179 /nfs/dbraw/zinc/03/91/79/1070039179.db2.gz GPZMOCGAMRHPDO-UHFFFAOYSA-N 1 1 462.436 4.197 20 0 JIADMO CC(C)(C)OC(=O)NC(C)(C)Cn1c(N2CCC[N@H+](C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001359597891 1070053079 /nfs/dbraw/zinc/05/30/79/1070053079.db2.gz HNTZEDASMLTAFH-UHFFFAOYSA-N 1 1 450.672 4.190 20 0 JIADMO CC(C)(O)CCn1c(-c2cccc(Br)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001359599005 1070056249 /nfs/dbraw/zinc/05/62/49/1070056249.db2.gz VUMHHVKXJFAECH-UHFFFAOYSA-N 1 1 464.452 4.179 20 0 JIADMO CC(C)C(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001359617573 1070088223 /nfs/dbraw/zinc/08/82/23/1070088223.db2.gz NLHQFSZYOHGXJP-OAQYLSRUSA-N 1 1 470.637 4.043 20 0 JIADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001359623622 1070103623 /nfs/dbraw/zinc/10/36/23/1070103623.db2.gz ZWWPXBZTJPFZFN-URXFXBBRSA-N 1 1 480.701 4.055 20 0 JIADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001359622831 1070100430 /nfs/dbraw/zinc/10/04/30/1070100430.db2.gz KGZUTXNOCPCCGU-HSZRJFAPSA-N 1 1 484.664 4.014 20 0 JIADMO CC(C)C(=O)NC1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001359624111 1070107576 /nfs/dbraw/zinc/10/75/76/1070107576.db2.gz ONPDIGSQDAWNDH-OAQYLSRUSA-N 1 1 475.081 4.273 20 0 JIADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001359628055 1070130590 /nfs/dbraw/zinc/13/05/90/1070130590.db2.gz WHHQGGVWKJGYEG-YADHBBJMSA-N 1 1 484.664 4.337 20 0 JIADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(CC3CCCC3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001359628319 1070132557 /nfs/dbraw/zinc/13/25/57/1070132557.db2.gz BBUQYEHDMUKNIK-VWNXMTODSA-N 1 1 472.722 4.264 20 0 JIADMO CC(C)C(=O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001359639211 1070173096 /nfs/dbraw/zinc/17/30/96/1070173096.db2.gz VPWKNUNDJSEAQQ-LEWJYISDSA-N 1 1 487.092 4.462 20 0 JIADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001359656978 1070239930 /nfs/dbraw/zinc/23/99/30/1070239930.db2.gz ZEVQMGARJCEMTN-FQEVSTJZSA-N 1 1 484.664 4.336 20 0 JIADMO CC(C)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C(C)C)CC1)N1CCOCC1 ZINC001359658574 1070256546 /nfs/dbraw/zinc/25/65/46/1070256546.db2.gz DQNDFIACEZZXDA-RUZDIDTESA-N 1 1 482.717 4.130 20 0 JIADMO CC(C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001359662794 1070284745 /nfs/dbraw/zinc/28/47/45/1070284745.db2.gz GNLXVTIPSJOGNH-DXIQSLLYSA-N 1 1 478.106 4.209 20 0 JIADMO CC(C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001359662847 1070286152 /nfs/dbraw/zinc/28/61/52/1070286152.db2.gz HHRAZTPSGJCLTK-MZKRTTBSSA-N 1 1 460.066 4.361 20 0 JIADMO CC(C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1)[NH+]1CCOCC1 ZINC001359663092 1070287848 /nfs/dbraw/zinc/28/78/48/1070287848.db2.gz KHEZMFBKCWWTGX-KITAHSCOSA-N 1 1 464.029 4.063 20 0 JIADMO CC(C)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC001359666087 1070300085 /nfs/dbraw/zinc/30/00/85/1070300085.db2.gz MNGXHEUMLISXQB-REWPJTCUSA-N 1 1 473.637 4.225 20 0 JIADMO CC(C)[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+]1CCOCC1 ZINC001359666166 1070300607 /nfs/dbraw/zinc/30/06/07/1070300607.db2.gz ONDHZCDNDGRPCX-JRGCBEDISA-N 1 1 482.069 4.375 20 0 JIADMO CC(C)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC001359667048 1070303584 /nfs/dbraw/zinc/30/35/84/1070303584.db2.gz JXOIFDIFRYCJQI-GSPCLOLRSA-N 1 1 475.722 4.426 20 0 JIADMO CC(C)c1csc([C@@H]2CCCN(c3nnc(-c4cnccn4)n3CC[N@H+](C)C(C)C)C2)n1 ZINC001359669457 1070310239 /nfs/dbraw/zinc/31/02/39/1070310239.db2.gz MHVGEKKPUIPJDY-GOSISDBHSA-N 1 1 454.648 4.039 20 0 JIADMO CC(C)c1nnc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCC[N@H+]3CCCC[C@@H]3C)CCO2)o1 ZINC001359675348 1070328286 /nfs/dbraw/zinc/32/82/86/1070328286.db2.gz KDIHKBVCVFZKAT-PMACEKPBSA-N 1 1 473.666 4.216 20 0 JIADMO CC(C)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001359676338 1070330671 /nfs/dbraw/zinc/33/06/71/1070330671.db2.gz GUIUXXSQVFVICH-UZUQRXQVSA-N 1 1 465.614 4.085 20 0 JIADMO CC(C)c1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359679661 1070335061 /nfs/dbraw/zinc/33/50/61/1070335061.db2.gz PBPDZUUWGYZCCC-FGZHOGPDSA-N 1 1 474.719 4.093 20 0 JIADMO CC(C)c1nnc(N(C)Cc2c(F)cccc2Cl)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001359679797 1070335703 /nfs/dbraw/zinc/33/57/03/1070335703.db2.gz URRQSROOQOCDQR-UHFFFAOYSA-N 1 1 451.034 4.104 20 0 JIADMO CC(C)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001359680454 1070337292 /nfs/dbraw/zinc/33/72/92/1070337292.db2.gz RQZOEXGHHWLGOF-QFIPXVFZSA-N 1 1 468.042 4.038 20 0 JIADMO CC(C)c1nnc(N(C)CCc2ccc(Br)cc2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001359683618 1070339529 /nfs/dbraw/zinc/33/95/29/1070339529.db2.gz GICWBJILZUUTRB-SFHVURJKSA-N 1 1 457.420 4.302 20 0 JIADMO CC(C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001359685433 1070340685 /nfs/dbraw/zinc/34/06/85/1070340685.db2.gz RVGKWNVPWFCDBQ-UHFFFAOYSA-N 1 1 454.644 4.120 20 0 JIADMO CC(C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccc(-c2ccsc2)nc1 ZINC001359685433 1070340692 /nfs/dbraw/zinc/34/06/92/1070340692.db2.gz RVGKWNVPWFCDBQ-UHFFFAOYSA-N 1 1 454.644 4.120 20 0 JIADMO CC(C)c1nnc(N(Cc2ccc(F)cc2)C(C)C)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001359686511 1070343506 /nfs/dbraw/zinc/34/35/06/1070343506.db2.gz HMALNEBPHHZMHK-DEOSSOPVSA-N 1 1 461.651 4.164 20 0 JIADMO CC(C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359711635 1070379755 /nfs/dbraw/zinc/37/97/55/1070379755.db2.gz NKKDQMKBYTVYFO-QTJGBDASSA-N 1 1 487.714 4.106 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001315474088 1064318150 /nfs/dbraw/zinc/31/81/50/1064318150.db2.gz JVGDISHGFBVVLT-HXUWFJFHSA-N 1 1 464.614 4.114 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001315474481 1064320374 /nfs/dbraw/zinc/32/03/74/1064320374.db2.gz IBUNTKXPJBOBED-GGAORHGYSA-N 1 1 455.647 4.329 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC001315480308 1064339256 /nfs/dbraw/zinc/33/92/56/1064339256.db2.gz IDYMDGCNCAUGHE-OAQYLSRUSA-N 1 1 483.682 4.385 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001315483147 1064347895 /nfs/dbraw/zinc/34/78/95/1064347895.db2.gz KXZMTKBUDSCZCK-OFNKIYASSA-N 1 1 498.672 4.479 20 0 JIADMO COc1ccc(Cn2c(C(C)C)nnc2N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(OC)c1OC ZINC001315485751 1064355513 /nfs/dbraw/zinc/35/55/13/1064355513.db2.gz WYLDWEGOOSWQLC-SFHVURJKSA-N 1 1 485.654 4.420 20 0 JIADMO COc1ccc(Cn2c(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)nnc2C(C)(C)C)c(C(F)(F)F)c1 ZINC001315508066 1064430990 /nfs/dbraw/zinc/43/09/90/1064430990.db2.gz QCBWKMQEXRDMNN-WBVHZDCISA-N 1 1 451.537 4.324 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001315510391 1064441843 /nfs/dbraw/zinc/44/18/43/1064441843.db2.gz APURXGFODWCVDV-NRFANRHFSA-N 1 1 489.064 4.182 20 0 JIADMO COc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@]2(C)CCCS2)cc1 ZINC001315531189 1064516132 /nfs/dbraw/zinc/51/61/32/1064516132.db2.gz UQXUGEJAYMTCKB-VWLOTQADSA-N 1 1 473.687 4.462 20 0 JIADMO COc1ccc(OCCn2c(C(C)C)nnc2N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC001315539435 1064534408 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1064578952 /nfs/dbraw/zinc/57/89/52/1064578952.db2.gz MXFKJEWFXFAKET-LEWJYISDSA-N 1 1 455.647 4.063 20 0 JIADMO COc1cccc(-c2nnc(N3CCN(C(C)C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001315563178 1064590776 /nfs/dbraw/zinc/59/07/76/1064590776.db2.gz LWUQEJJKAALZEX-VXKWHMMOSA-N 1 1 468.690 4.241 20 0 JIADMO COc1cccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC001315568140 1064602340 /nfs/dbraw/zinc/60/23/40/1064602340.db2.gz XSYPVEKRLSFNLI-XUZZJYLKSA-N 1 1 455.647 4.327 20 0 JIADMO COc1cccc([C@@H]2C[C@H](C)CN2c2nnc(C(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001315572111 1064619089 /nfs/dbraw/zinc/61/90/89/1064619089.db2.gz SFPDWLJWPSZRDG-OYDLWJJNSA-N 1 1 455.647 4.354 20 0 JIADMO COc1cccc([C@H]2C[C@@H](C)CN2c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+](C)C(C)C)c1 ZINC001315573179 1064623745 /nfs/dbraw/zinc/62/37/45/1064623745.db2.gz XDIVGOQAPXNPIM-NTKDMRAZSA-N 1 1 465.646 4.076 20 0 JIADMO COc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)[N@@H+](C)C2CC2)c1 ZINC001315576737 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COCCO[C@H]1CCCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[N@@H+](C)C(C)C)C1 ZINC001316237578 1065972979 /nfs/dbraw/zinc/97/29/79/1065972979.db2.gz UIZGVQRRXCGWDT-CTNGQTDRSA-N 1 1 475.703 4.103 20 0 JIADMO COCCO[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001316239723 1065976951 /nfs/dbraw/zinc/97/69/51/1065976951.db2.gz QSXCNBSILREWKV-NOZRDPDXSA-N 1 1 499.700 4.226 20 0 JIADMO COCCO[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001316239725 1065977230 /nfs/dbraw/zinc/97/72/30/1065977230.db2.gz QSXCNBSILREWKV-ZCYQVOJMSA-N 1 1 499.700 4.226 20 0 JIADMO COCCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001316250003 1065992068 /nfs/dbraw/zinc/99/20/68/1065992068.db2.gz RGIZBEWJJUQNNZ-IMSXRSKXSA-N 1 1 487.664 4.006 20 0 JIADMO COCCOC[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001316251256 1065994265 /nfs/dbraw/zinc/99/42/65/1065994265.db2.gz HBXILRKEGYDWTP-SFTDATJTSA-N 1 1 476.065 4.208 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)=C(Br)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001316284307 1066040140 /nfs/dbraw/zinc/04/01/40/1066040140.db2.gz DMGGZYTZQXVWJG-ICSRJNTNSA-N 1 1 496.494 4.003 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001316286740 1066044148 /nfs/dbraw/zinc/04/41/48/1066044148.db2.gz OKHJGBOUNIUWDR-URXFXBBRSA-N 1 1 491.721 4.441 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001316289392 1066047968 /nfs/dbraw/zinc/04/79/68/1066047968.db2.gz OSYXABNMVOQOLY-FPOVZHCZSA-N 1 1 495.590 4.380 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H](C)COCc1ccccc1 ZINC001316289847 1066048601 /nfs/dbraw/zinc/04/86/01/1066048601.db2.gz XQFIUMOCQXEDTA-VJTSUQJLSA-N 1 1 499.700 4.166 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001316298686 1066059081 /nfs/dbraw/zinc/05/90/81/1066059081.db2.gz ZSGPJVDTMSXQQX-GRSOWLQASA-N 1 1 491.721 4.298 20 0 JIADMO CO[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001316315441 1066071719 /nfs/dbraw/zinc/07/17/19/1066071719.db2.gz LCVMACNKRVYYLQ-RTBURBONSA-N 1 1 476.463 4.301 20 0 JIADMO CO[C@H]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCCCn2cc[nH+]c2C)C1 ZINC001316323261 1066079748 /nfs/dbraw/zinc/07/97/48/1066079748.db2.gz AROPSDRAPIUPKQ-IBGZPJMESA-N 1 1 473.419 4.226 20 0 JIADMO CO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001316325560 1066082340 /nfs/dbraw/zinc/08/23/40/1066082340.db2.gz YQQJQDWVMWMMRC-XLIONFOSSA-N 1 1 487.446 4.171 20 0 JIADMO CSC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316364832 1066103459 /nfs/dbraw/zinc/10/34/59/1066103459.db2.gz TYIXRKNMQGGPNI-OTWHNJEPSA-N 1 1 479.666 4.244 20 0 JIADMO CSC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316364832 1066103474 /nfs/dbraw/zinc/10/34/74/1066103474.db2.gz TYIXRKNMQGGPNI-OTWHNJEPSA-N 1 1 479.666 4.244 20 0 JIADMO CSC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001316373489 1066128144 /nfs/dbraw/zinc/12/81/44/1066128144.db2.gz ZASXSODKFBBCQG-SFHVURJKSA-N 1 1 456.685 4.350 20 0 JIADMO CS[C@H](C)Cn1c(-c2ccccc2F)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316380305 1066148059 /nfs/dbraw/zinc/14/80/59/1066148059.db2.gz YLUJYBJJLMZPMO-CEXWTWQISA-N 1 1 461.651 4.161 20 0 JIADMO CS[C@H](C)Cn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001316383095 1066152244 /nfs/dbraw/zinc/15/22/44/1066152244.db2.gz LFULJAQUULBCAO-NFBKMPQASA-N 1 1 450.656 4.116 20 0 JIADMO CS[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316384134 1066153344 /nfs/dbraw/zinc/15/33/44/1066153344.db2.gz VUGWWGYNHUOWPJ-CEXWTWQISA-N 1 1 493.668 4.224 20 0 JIADMO 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 1066171176 /nfs/dbraw/zinc/17/11/76/1066171176.db2.gz PKSUDGIJMJEMFU-ZGXWSNOMSA-N 1 1 492.734 4.111 20 0 JIADMO 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COc1ccc([C@@H]2[C@@H](C(=O)N3CCC[N@H+]4CCC[C@H]4C3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC001324875343 1066231698 /nfs/dbraw/zinc/23/16/98/1066231698.db2.gz ZGSQASQNMWRSNC-IBGGVINMSA-N 1 1 491.632 4.193 20 0 JIADMO CSc1ccccc1CN(C)c1nnc(Cc2cccnc2)n1CC[N@@H+](C)C1CCCC1 ZINC001316423875 1066237654 /nfs/dbraw/zinc/23/76/54/1066237654.db2.gz JTTZPMARSVVTQB-UHFFFAOYSA-N 1 1 450.656 4.497 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001316426796 1066247931 /nfs/dbraw/zinc/24/79/31/1066247931.db2.gz DWDIIRQWEJAWBB-FGZHOGPDSA-N 1 1 478.106 4.091 20 0 JIADMO CS[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001316427560 1066251890 /nfs/dbraw/zinc/25/18/90/1066251890.db2.gz JRDJYXURQWDPBZ-QHCPKHFHSA-N 1 1 468.646 4.257 20 0 JIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001325500269 1066253047 /nfs/dbraw/zinc/25/30/47/1066253047.db2.gz WDNFGUVXTFJZBK-TVZXLZGTSA-N 1 1 462.638 4.269 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)C[C@H](C)O1 ZINC001325687281 1066263508 /nfs/dbraw/zinc/26/35/08/1066263508.db2.gz VYQIJOVFRXHBFN-HDICACEKSA-N 1 1 474.586 4.285 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)C[C@H](C)O1 ZINC001325687281 1066263527 /nfs/dbraw/zinc/26/35/27/1066263527.db2.gz VYQIJOVFRXHBFN-HDICACEKSA-N 1 1 474.586 4.285 20 0 JIADMO CSCc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[N@H+](C(C)C)CC2)cc1 ZINC001316431911 1066272183 /nfs/dbraw/zinc/27/21/83/1066272183.db2.gz ITEHHFIMKBJLPV-UHFFFAOYSA-N 1 1 450.656 4.096 20 0 JIADMO CS[C@H]1CCCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001316432916 1066277026 /nfs/dbraw/zinc/27/70/26/1066277026.db2.gz XZIYUCWNYLSJOT-HFZDXXHNSA-N 1 1 487.714 4.077 20 0 JIADMO Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001326131007 1066286436 /nfs/dbraw/zinc/28/64/36/1066286436.db2.gz UQMWMHWEVQDKNW-DEOSSOPVSA-N 1 1 494.039 4.174 20 0 JIADMO O=C(COc1ccc(Cl)cc1Br)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001326327634 1066292133 /nfs/dbraw/zinc/29/21/33/1066292133.db2.gz FUNGPPLJIMUKCS-KRWDZBQOSA-N 1 1 451.792 4.162 20 0 JIADMO Cc1[nH+]ccn1CCn1c(-c2cccc(C)n2)nnc1N(C)CCc1ccc(Br)cc1 ZINC001492502285 1066302650 /nfs/dbraw/zinc/30/26/50/1066302650.db2.gz QOJOKVBHEYDHBP-UHFFFAOYSA-N 1 1 480.414 4.295 20 0 JIADMO O=C(c1nc(-c2ccc(F)cc2)n2c1CCCCC2)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC001326914150 1066305779 /nfs/dbraw/zinc/30/57/79/1066305779.db2.gz AWQYJCBPBRIZRH-UHFFFAOYSA-N 1 1 491.611 4.175 20 0 JIADMO CSC[C@H]1CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001316442993 1066306561 /nfs/dbraw/zinc/30/65/61/1066306561.db2.gz WIZCIDIJECLWNZ-IFMALSPDSA-N 1 1 459.708 4.126 20 0 JIADMO CSCC[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001316444571 1066312036 /nfs/dbraw/zinc/31/20/36/1066312036.db2.gz LXOBPKZJPQVCHA-HZPDHXFCSA-N 1 1 469.497 4.345 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccc(C(F)(F)F)cc2)n1 ZINC001492503812 1066316982 /nfs/dbraw/zinc/31/69/82/1066316982.db2.gz WSXOFGNUUZLVGX-KDURUIRLSA-N 1 1 488.558 4.261 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccc(C(F)(F)F)cc2)n1 ZINC001492503812 1066317001 /nfs/dbraw/zinc/31/70/01/1066317001.db2.gz WSXOFGNUUZLVGX-KDURUIRLSA-N 1 1 488.558 4.261 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cc[nH+]c1C ZINC001316446802 1066319024 /nfs/dbraw/zinc/31/90/24/1066319024.db2.gz IUNGVMIEGBQLQS-ICSRJNTNSA-N 1 1 491.706 4.176 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001316448861 1066324672 /nfs/dbraw/zinc/32/46/72/1066324672.db2.gz FYKJRRYZQAHHTM-YCRNBWNJSA-N 1 1 490.743 4.123 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CCC[N@@H+]2CCCC[C@H]2C)n1 ZINC001492508630 1066334268 /nfs/dbraw/zinc/33/42/68/1066334268.db2.gz WGDOBIDDQNRKBL-DVECYGJZSA-N 1 1 494.606 4.443 20 0 JIADMO CSCCCCn1c(Cc2ccccc2F)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001316460010 1066353672 /nfs/dbraw/zinc/35/36/72/1066353672.db2.gz AIWOPLGOSOEFLO-UHFFFAOYSA-N 1 1 488.721 4.146 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCC[N@@H+]2CCCC[C@H]2C)n1 ZINC001492514217 1066354558 /nfs/dbraw/zinc/35/45/58/1066354558.db2.gz LLROIISKYOBECI-WOJBJXKFSA-N 1 1 480.579 4.461 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)n1 ZINC001492514805 1066357435 /nfs/dbraw/zinc/35/74/35/1066357435.db2.gz VJYWUOWUNLGIGM-LEWJYISDSA-N 1 1 497.688 4.215 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cc4c(cc(Br)cc4F)[nH]3)C2)ccn1 ZINC001331303102 1066357984 /nfs/dbraw/zinc/35/79/84/1066357984.db2.gz XUPVOFVOZZPFCG-QGZVFWFLSA-N 1 1 475.362 4.210 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)n2CCOC(C)(C)C)n1 ZINC001492516180 1066363909 /nfs/dbraw/zinc/36/39/09/1066363909.db2.gz OXMDXYCRZBQLHC-UHFFFAOYSA-N 1 1 466.605 4.315 20 0 JIADMO CSCCCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001316470888 1066377049 /nfs/dbraw/zinc/37/70/49/1066377049.db2.gz PENNRHIMOZOAMN-OALUTQOASA-N 1 1 480.723 4.065 20 0 JIADMO CCC[N@@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC001332750124 1066378990 /nfs/dbraw/zinc/37/89/90/1066378990.db2.gz JKISJOOZWCQXGG-ZDUSSCGKSA-N 1 1 486.819 4.465 20 0 JIADMO CCC[N@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC001332750124 1066379005 /nfs/dbraw/zinc/37/90/05/1066379005.db2.gz JKISJOOZWCQXGG-ZDUSSCGKSA-N 1 1 486.819 4.465 20 0 JIADMO CSCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001316473907 1066381938 /nfs/dbraw/zinc/38/19/38/1066381938.db2.gz JKUPSZRBOJYQCF-HNNXBMFYSA-N 1 1 467.481 4.099 20 0 JIADMO CSCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001316477941 1066390232 /nfs/dbraw/zinc/39/02/32/1066390232.db2.gz FNLYMICQEZGXJG-IBGZPJMESA-N 1 1 470.712 4.488 20 0 JIADMO C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1O ZINC001316479998 1066394111 /nfs/dbraw/zinc/39/41/11/1066394111.db2.gz IQYIZRJQBWZKJL-UZLBHIALSA-N 1 1 450.002 4.067 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3c[nH]nc3-c3ccc(Cl)cc3)C2)ccn1 ZINC001334604204 1066397075 /nfs/dbraw/zinc/39/70/75/1066397075.db2.gz VWSZOEUFMVBCJE-NRFANRHFSA-N 1 1 453.974 4.259 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(Cl)nc2)C[C@H](C)O1 ZINC001316502792 1066465883 /nfs/dbraw/zinc/46/58/83/1066465883.db2.gz CYZFLDCJXIKIOR-CALCHBBNSA-N 1 1 475.424 4.241 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(Cl)nc2)C[C@H](C)O1 ZINC001316502792 1066465901 /nfs/dbraw/zinc/46/59/01/1066465901.db2.gz CYZFLDCJXIKIOR-CALCHBBNSA-N 1 1 475.424 4.241 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2cccnc2)C[C@H](C)O1 ZINC001316503034 1066466974 /nfs/dbraw/zinc/46/69/74/1066466974.db2.gz GCFNUPHOYLFRED-SZPZYZBQSA-N 1 1 476.669 4.426 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2cccnc2)C[C@H](C)O1 ZINC001316503034 1066466981 /nfs/dbraw/zinc/46/69/81/1066466981.db2.gz GCFNUPHOYLFRED-SZPZYZBQSA-N 1 1 476.669 4.426 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCOC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001316503154 1066468372 /nfs/dbraw/zinc/46/83/72/1066468372.db2.gz MNOXUVRMGZFXMU-USYVTKNRSA-N 1 1 473.584 4.011 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCOC3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001316503154 1066468375 /nfs/dbraw/zinc/46/83/75/1066468375.db2.gz MNOXUVRMGZFXMU-USYVTKNRSA-N 1 1 473.584 4.011 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc(Cl)c3)n2CCSCC(F)(F)F)C[C@H](C)O1 ZINC001316503418 1066469146 /nfs/dbraw/zinc/46/91/46/1066469146.db2.gz NEFCDINMHABRTH-IYBDPMFKSA-N 1 1 492.011 4.439 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc(Cl)c3)n2CCSCC(F)(F)F)C[C@H](C)O1 ZINC001316503418 1066469163 /nfs/dbraw/zinc/46/91/63/1066469163.db2.gz NEFCDINMHABRTH-IYBDPMFKSA-N 1 1 492.011 4.439 20 0 JIADMO C[C@@H]1CN(CCN(C)c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H](C)O1 ZINC001316503840 1066471535 /nfs/dbraw/zinc/47/15/35/1066471535.db2.gz QBUNJLBXGWZMAD-OYRHEFFESA-N 1 1 489.108 4.266 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CCC2(C)CC2)C[C@H](C)O1 ZINC001316503873 1066472268 /nfs/dbraw/zinc/47/22/68/1066472268.db2.gz RLWJVSFOADVGKQ-HDICACEKSA-N 1 1 463.573 4.282 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc(OC(F)F)c3)n2CCC2(C)CC2)C[C@H](C)O1 ZINC001316503873 1066472275 /nfs/dbraw/zinc/47/22/75/1066472275.db2.gz RLWJVSFOADVGKQ-HDICACEKSA-N 1 1 463.573 4.282 20 0 JIADMO 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 1066472751 /nfs/dbraw/zinc/47/27/51/1066472751.db2.gz GZUZDLKXDGSBPT-SRUXOGRHSA-N 1 1 488.746 4.266 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccc(F)cc3)n2CCOC2CCCCCC2)C[C@H](C)O1 ZINC001316504009 1066473022 /nfs/dbraw/zinc/47/30/22/1066473022.db2.gz XKDYKRIFNIHSSY-SZPZYZBQSA-N 1 1 487.664 4.293 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccc(F)cc3)n2CCOC2CCCCCC2)C[C@H](C)O1 ZINC001316504009 1066473033 /nfs/dbraw/zinc/47/30/33/1066473033.db2.gz XKDYKRIFNIHSSY-SZPZYZBQSA-N 1 1 487.664 4.293 20 0 JIADMO 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 1066479307 /nfs/dbraw/zinc/47/93/07/1066479307.db2.gz YPDBCXBFLIXZHM-CALCHBBNSA-N 1 1 468.568 4.187 20 0 JIADMO CCc1ccc(-c2nc(C(=O)Nc3ccc(F)c(NC(=O)CC[NH+]4CCOCC4)c3)cs2)cc1 ZINC001337653175 1066500964 /nfs/dbraw/zinc/50/09/64/1066500964.db2.gz SUUXIOAMZJNLQZ-UHFFFAOYSA-N 1 1 482.581 4.425 20 0 JIADMO CCOC(=O)c1ccn(-c2cccc(NC(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)n1 ZINC001337910936 1066519228 /nfs/dbraw/zinc/51/92/28/1066519228.db2.gz CFRBTHAPKNYGJM-NRFANRHFSA-N 1 1 461.566 4.083 20 0 JIADMO Fc1ccc(Cc2nnc(N3CC[NH+](Cc4cccs4)CC3)n2CCCOC(F)F)cc1 ZINC001316524361 1066535906 /nfs/dbraw/zinc/53/59/06/1066535906.db2.gz YAUBTQOFOBPGFJ-UHFFFAOYSA-N 1 1 465.545 4.021 20 0 JIADMO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001341802498 1066589877 /nfs/dbraw/zinc/58/98/77/1066589877.db2.gz NISIWFKDHQRXPO-FQEVSTJZSA-N 1 1 495.041 4.069 20 0 JIADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(F)F)C1 ZINC001316585749 1066607744 /nfs/dbraw/zinc/60/77/44/1066607744.db2.gz XSZUIOSIYHYOPZ-ICSRJNTNSA-N 1 1 467.992 4.317 20 0 JIADMO OCCCSCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001316591015 1066620925 /nfs/dbraw/zinc/62/09/25/1066620925.db2.gz TUSFWXYCUYNNGP-UHFFFAOYSA-N 1 1 482.069 4.308 20 0 JIADMO Cc1nc(CCn2c(COc3cccc(C)c3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)sc1C ZINC001492539573 1066626581 /nfs/dbraw/zinc/62/65/81/1066626581.db2.gz DTCKRWRYKVDMSU-BGYRXZFFSA-N 1 1 498.697 4.027 20 0 JIADMO Cc1nc(CCn2c(COc3cccc(C)c3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)sc1C ZINC001492539573 1066626583 /nfs/dbraw/zinc/62/65/83/1066626583.db2.gz DTCKRWRYKVDMSU-BGYRXZFFSA-N 1 1 498.697 4.027 20 0 JIADMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)c2ccccc2NC(=O)c2ccccc2Br)C1 ZINC001346088224 1066653405 /nfs/dbraw/zinc/65/34/05/1066653405.db2.gz SUXCKONHAJAXCK-QGZVFWFLSA-N 1 1 475.383 4.215 20 0 JIADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)C1 ZINC001347076229 1066673504 /nfs/dbraw/zinc/67/35/04/1066673504.db2.gz RJAGFQNSDORLNN-OHSXHVKISA-N 1 1 464.606 4.067 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2CCOC[C@H]2C)c1 ZINC001492543860 1066676229 /nfs/dbraw/zinc/67/62/29/1066676229.db2.gz ZVVUIHWYDYBOEE-VWNXMTODSA-N 1 1 469.674 4.395 20 0 JIADMO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)C1=O ZINC001317788681 1066688701 /nfs/dbraw/zinc/68/87/01/1066688701.db2.gz ZHHGCTWPQRRLKY-SANMLTNESA-N 1 1 491.617 4.078 20 0 JIADMO Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)C2=O)cc1 ZINC001348347701 1066737948 /nfs/dbraw/zinc/73/79/48/1066737948.db2.gz SPMDXSRFKRNKIW-ACSPXDACSA-N 1 1 457.983 4.104 20 0 JIADMO 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CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001318147169 1066924605 /nfs/dbraw/zinc/92/46/05/1066924605.db2.gz JOFCAJVNRZLWFW-QFIPXVFZSA-N 1 1 466.626 4.423 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)C1 ZINC001318174326 1066939902 /nfs/dbraw/zinc/93/99/02/1066939902.db2.gz XNBKSPYBBFLWET-QGZVFWFLSA-N 1 1 471.577 4.153 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)C1 ZINC001318174325 1066939920 /nfs/dbraw/zinc/93/99/20/1066939920.db2.gz XNBKSPYBBFLWET-KRWDZBQOSA-N 1 1 471.577 4.153 20 0 JIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001350341879 1066945505 /nfs/dbraw/zinc/94/55/05/1066945505.db2.gz XFZJAWAFIYOLAB-MRXNPFEDSA-N 1 1 454.514 4.285 20 0 JIADMO COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001318205530 1066957962 /nfs/dbraw/zinc/95/79/62/1066957962.db2.gz JRMXYJOFZKKSCV-GOSISDBHSA-N 1 1 472.383 4.020 20 0 JIADMO 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O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC001318417308 1067040362 /nfs/dbraw/zinc/04/03/62/1067040362.db2.gz FYHBZQCQBVLADX-UHFFFAOYSA-N 1 1 469.471 4.401 20 0 JIADMO O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318417808 1067040507 /nfs/dbraw/zinc/04/05/07/1067040507.db2.gz LKHXSZJXMAFDLE-UHFFFAOYSA-N 1 1 474.590 4.439 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3ncc(Cc4ccc(F)c(F)c4)s3)c2)CC1 ZINC001318457437 1067044652 /nfs/dbraw/zinc/04/46/52/1067044652.db2.gz IGMMUFMTNOCBCH-UHFFFAOYSA-N 1 1 471.577 4.081 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1csc(I)c1 ZINC001318585804 1067053492 /nfs/dbraw/zinc/05/34/92/1067053492.db2.gz JUKDKXHDERMHKM-UHFFFAOYSA-N 1 1 466.348 4.467 20 0 JIADMO C[N@@H+]1CCN(C(=O)Cc2ccc(Br)c(Br)c2)[C@@H](c2ccccc2)C1 ZINC001351191125 1067057894 /nfs/dbraw/zinc/05/78/94/1067057894.db2.gz NBDVCHWKHYTFLU-GOSISDBHSA-N 1 1 452.190 4.269 20 0 JIADMO C[N@H+]1CCN(C(=O)Cc2ccc(Br)c(Br)c2)[C@@H](c2ccccc2)C1 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SUYSWLRZYKEDLV-UHFFFAOYSA-N 1 1 489.620 4.019 20 0 JIADMO Cc1cc(NC(=O)C2CCN(C(=O)NCc3ccc(C[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)CC2)no1 ZINC000500631345 1067302929 /nfs/dbraw/zinc/30/29/29/1067302929.db2.gz UCKGGLVOCJVWMQ-KDURUIRLSA-N 1 1 467.614 4.021 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)CC2)cc1 ZINC001322874668 1067310414 /nfs/dbraw/zinc/31/04/14/1067310414.db2.gz QNOIFKNMIZYVPA-JOCHJYFZSA-N 1 1 484.666 4.155 20 0 JIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1nn(-c2ccccc2F)cc1Br ZINC001323089478 1067314778 /nfs/dbraw/zinc/31/47/78/1067314778.db2.gz YTROEPQAQHNKJM-GOSISDBHSA-N 1 1 461.335 4.324 20 0 JIADMO CN1CC[N@@H+](CCCNC(=O)N2CCC(c3nc4ccccc4o3)CC2)[C@@H](c2ccccc2)C1 ZINC001323217156 1067316293 /nfs/dbraw/zinc/31/62/93/1067316293.db2.gz JFBIKBNSMNWKSC-XMMPIXPASA-N 1 1 461.610 4.096 20 0 JIADMO C[N@@H+]1CCN(CCCNC(=O)N2CCC(c3nc4ccccc4o3)CC2)[C@@H](c2ccccc2)C1 ZINC001323217156 1067316305 /nfs/dbraw/zinc/31/63/05/1067316305.db2.gz JFBIKBNSMNWKSC-XMMPIXPASA-N 1 1 461.610 4.096 20 0 JIADMO C[N@H+]1CCN(CCCNC(=O)N2CCC(c3nc4ccccc4o3)CC2)[C@@H](c2ccccc2)C1 ZINC001323217156 1067316318 /nfs/dbraw/zinc/31/63/18/1067316318.db2.gz JFBIKBNSMNWKSC-XMMPIXPASA-N 1 1 461.610 4.096 20 0 JIADMO Cc1c2ccccc2c(=O)oc1C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC001355013521 1067336485 /nfs/dbraw/zinc/33/64/85/1067336485.db2.gz RPEOTLCIIYPPAF-OAHLLOKOSA-N 1 1 451.498 4.306 20 0 JIADMO Cc1c2ccccc2c(=O)oc1C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC001355013521 1067336495 /nfs/dbraw/zinc/33/64/95/1067336495.db2.gz RPEOTLCIIYPPAF-OAHLLOKOSA-N 1 1 451.498 4.306 20 0 JIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(OCC(F)(F)F)o2)c1 ZINC001355013724 1067337151 /nfs/dbraw/zinc/33/71/51/1067337151.db2.gz WZCXQQOMFKDKCA-ZDUSSCGKSA-N 1 1 457.424 4.425 20 0 JIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(OCC(F)(F)F)o2)c1 ZINC001355013724 1067337169 /nfs/dbraw/zinc/33/71/69/1067337169.db2.gz WZCXQQOMFKDKCA-ZDUSSCGKSA-N 1 1 457.424 4.425 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CCOc2ccc(Cl)cc2)n1 ZINC001492497900 1067339795 /nfs/dbraw/zinc/33/97/95/1067339795.db2.gz LUSJPAVYLVZMAR-UHFFFAOYSA-N 1 1 499.059 4.176 20 0 JIADMO Cc1cccc(-c2nnc(N(C)C[C@@H](C)c3ccccc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC001492497959 1067340276 /nfs/dbraw/zinc/34/02/76/1067340276.db2.gz NOMOGXHLOSHCHF-QPPBQGQZSA-N 1 1 462.642 4.245 20 0 JIADMO CO[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001300785355 1067346689 /nfs/dbraw/zinc/34/66/89/1067346689.db2.gz POPKWULOJAZIBM-DNVJHFABSA-N 1 1 461.695 4.467 20 0 JIADMO O=C(C1CCN(C(=S)Nc2ccccc2Cl)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001200857503 1067367420 /nfs/dbraw/zinc/36/74/20/1067367420.db2.gz BXTFGINWZPTTAS-UHFFFAOYSA-N 1 1 457.043 4.093 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H](c2cccnc2)C(C)C)cc1 ZINC001300012600 1067367505 /nfs/dbraw/zinc/36/75/05/1067367505.db2.gz CKMYHPAWLSETRC-RUZDIDTESA-N 1 1 492.668 4.336 20 0 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Cc1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1NS(C)(=O)=O ZINC001200097657 1067605745 /nfs/dbraw/zinc/60/57/45/1067605745.db2.gz DYUDKPAMRQMDII-UKILVPOCSA-N 1 1 478.618 4.156 20 0 JIADMO COc1ccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[N@@H+](C)C2CCCC2)c(OC)c1 ZINC001300077919 1067609503 /nfs/dbraw/zinc/60/95/03/1067609503.db2.gz CQTXWIRXLQCMPE-MHZLTWQESA-N 1 1 485.673 4.478 20 0 JIADMO O=C(CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)Nc1ccc(F)c(F)c1F ZINC001352662157 1067610991 /nfs/dbraw/zinc/61/09/91/1067610991.db2.gz VVHWCTPRHKFTER-IAGOWNOFSA-N 1 1 473.520 4.136 20 0 JIADMO CCc1nc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1-c1c(Cl)cccc1Cl ZINC001356030622 1067640113 /nfs/dbraw/zinc/64/01/13/1067640113.db2.gz UYQUUDFFWDUBGY-QGZVFWFLSA-N 1 1 458.393 4.483 20 0 JIADMO O=S(=O)(c1ccc(Cl)c2ccccc21)N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001200109922 1067646593 /nfs/dbraw/zinc/64/65/93/1067646593.db2.gz UJJCRRJQFDCOMP-NMMYMHLASA-N 1 1 485.053 4.253 20 0 JIADMO COc1ccc(C[C@@H](C)CN(C)c2nnc(-c3ccc(C)o3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001300100239 1067675133 /nfs/dbraw/zinc/67/51/33/1067675133.db2.gz SWAROUFHDOIYDS-OAQYLSRUSA-N 1 1 494.684 4.196 20 0 JIADMO COc1ccc(C[C@@H](C)CN(C)c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001300100239 1067675138 /nfs/dbraw/zinc/67/51/38/1067675138.db2.gz SWAROUFHDOIYDS-OAQYLSRUSA-N 1 1 494.684 4.196 20 0 JIADMO COc1ccc(C[C@@H](C)CN(C)c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001300100239 1067675145 /nfs/dbraw/zinc/67/51/45/1067675145.db2.gz SWAROUFHDOIYDS-OAQYLSRUSA-N 1 1 494.684 4.196 20 0 JIADMO COC(=O)[C@]1(NC(=O)CCn2ccc3cc(Cl)ccc32)CCC[N@@H+](Cc2ccccc2)C1 ZINC001300101566 1067676953 /nfs/dbraw/zinc/67/69/53/1067676953.db2.gz URFPGVDFNOJJIR-VWLOTQADSA-N 1 1 453.970 4.009 20 0 JIADMO COc1ccc(C[C@@H](C)CN(C)c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001300103796 1067685101 /nfs/dbraw/zinc/68/51/01/1067685101.db2.gz DQEKNFJMPKSDOD-OAQYLSRUSA-N 1 1 460.626 4.234 20 0 JIADMO 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 1067688580 /nfs/dbraw/zinc/68/85/80/1067688580.db2.gz LEFDMELPVHSXTP-AWRGLXIESA-N 1 1 496.700 4.063 20 0 JIADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001356231466 1067701192 /nfs/dbraw/zinc/70/11/92/1067701192.db2.gz NRCLLBVXFZTSLL-UHFFFAOYSA-N 1 1 455.864 4.007 20 0 JIADMO COc1ccc(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1 ZINC001300107782 1067701403 /nfs/dbraw/zinc/70/14/03/1067701403.db2.gz JSOCNKQYKXDIDU-XMMPIXPASA-N 1 1 496.744 4.359 20 0 JIADMO COc1ccc(CCc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001300108093 1067702553 /nfs/dbraw/zinc/70/25/53/1067702553.db2.gz ZVXRWXROMXQNIB-JTHBVZDNSA-N 1 1 469.674 4.198 20 0 JIADMO COc1ccc(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1 ZINC001300108589 1067705322 /nfs/dbraw/zinc/70/53/22/1067705322.db2.gz VBDKWFSEWUEINN-FGZHOGPDSA-N 1 1 469.674 4.054 20 0 JIADMO CCc1ccccc1N1C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1=O ZINC001352757350 1067706077 /nfs/dbraw/zinc/70/60/77/1067706077.db2.gz OFWFTXNZNXVAIG-GGAORHGYSA-N 1 1 454.014 4.426 20 0 JIADMO CCc1ccccc1N1C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1=O ZINC001352757350 1067706088 /nfs/dbraw/zinc/70/60/88/1067706088.db2.gz OFWFTXNZNXVAIG-GGAORHGYSA-N 1 1 454.014 4.426 20 0 JIADMO COCCCOc1ccc(C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)cc1 ZINC001356363794 1067735975 /nfs/dbraw/zinc/73/59/75/1067735975.db2.gz KCXLBQSAJHOYMH-GOSISDBHSA-N 1 1 457.546 4.306 20 0 JIADMO COCCCOc1ccc(C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)cc1 ZINC001356363794 1067735986 /nfs/dbraw/zinc/73/59/86/1067735986.db2.gz KCXLBQSAJHOYMH-GOSISDBHSA-N 1 1 457.546 4.306 20 0 JIADMO C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N1CC[N@H+](C)CC1(C)C ZINC001356379331 1067740036 /nfs/dbraw/zinc/74/00/36/1067740036.db2.gz ZEARMGMFLQPRDS-OAHLLOKOSA-N 1 1 456.637 4.238 20 0 JIADMO C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N1CC[N@@H+](C)CC1(C)C ZINC001356379331 1067740043 /nfs/dbraw/zinc/74/00/43/1067740043.db2.gz ZEARMGMFLQPRDS-OAHLLOKOSA-N 1 1 456.637 4.238 20 0 JIADMO COc1ccccc1COC1CCN(C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC001356379215 1067740217 /nfs/dbraw/zinc/74/02/17/1067740217.db2.gz XJYPSROBWNTGKM-SFTDATJTSA-N 1 1 452.595 4.126 20 0 JIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cccc3c2C(=O)OC3(C)C)c1 ZINC001356380055 1067741415 /nfs/dbraw/zinc/74/14/15/1067741415.db2.gz ZSNONHZBKQBUAQ-HNNXBMFYSA-N 1 1 453.514 4.296 20 0 JIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cccc3c2C(=O)OC3(C)C)c1 ZINC001356380055 1067741423 /nfs/dbraw/zinc/74/14/23/1067741423.db2.gz ZSNONHZBKQBUAQ-HNNXBMFYSA-N 1 1 453.514 4.296 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCOC(C)C)cc1 ZINC001300123021 1067742741 /nfs/dbraw/zinc/74/27/41/1067742741.db2.gz NEOQOXNBSHAZKN-UHFFFAOYSA-N 1 1 457.663 4.198 20 0 JIADMO 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MBGFTLMFVQFLQC-UHFFFAOYSA-N 1 1 455.809 4.441 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC(CCC(N)=O)CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492563706 1068043807 /nfs/dbraw/zinc/04/38/07/1068043807.db2.gz KCQXDNDOALLHNJ-SZPZYZBQSA-N 1 1 480.701 4.494 20 0 JIADMO COc1ccc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300270411 1068048996 /nfs/dbraw/zinc/04/89/96/1068048996.db2.gz FAVHTAVPAYAIBO-GOSISDBHSA-N 1 1 479.547 4.296 20 0 JIADMO C[C@H](C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccc(I)cc1 ZINC001358253552 1068052281 /nfs/dbraw/zinc/05/22/81/1068052281.db2.gz TZSDZBUKHGVCSQ-INIZCTEOSA-N 1 1 450.364 4.422 20 0 JIADMO COc1ccc(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CCCn2cc[nH+]c2C)cc1 ZINC001300279544 1068068588 /nfs/dbraw/zinc/06/85/88/1068068588.db2.gz ZEZHWUVKIILLRR-LJQANCHMSA-N 1 1 452.603 4.333 20 0 JIADMO COc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300280889 1068072376 /nfs/dbraw/zinc/07/23/76/1068072376.db2.gz ILZGIRSDOZIPGG-FQEVSTJZSA-N 1 1 463.573 4.222 20 0 JIADMO CC(C)(C)OC(=O)CN1CC[C@H]([NH2+][C@@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)C1=O ZINC001473366539 1068073535 /nfs/dbraw/zinc/07/35/35/1068073535.db2.gz UWCKZSKIXRRBPB-GJZGRUSLSA-N 1 1 454.411 4.231 20 0 JIADMO COCc1nnc(-c2cccc(C(=O)NC[C@@H]3CCCC[N@@H+]3Cc3cccc(Cl)c3)c2)o1 ZINC001358478542 1068100158 /nfs/dbraw/zinc/10/01/58/1068100158.db2.gz HNDXGXRKBCOIQE-NRFANRHFSA-N 1 1 454.958 4.321 20 0 JIADMO COCc1nnc(-c2cccc(C(=O)NC[C@@H]3CCCC[N@H+]3Cc3cccc(Cl)c3)c2)o1 ZINC001358478542 1068100217 /nfs/dbraw/zinc/10/02/17/1068100217.db2.gz HNDXGXRKBCOIQE-NRFANRHFSA-N 1 1 454.958 4.321 20 0 JIADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001358489462 1068114424 /nfs/dbraw/zinc/11/44/24/1068114424.db2.gz YFKSXRBBPNHWCB-VQTJNVASSA-N 1 1 450.023 4.456 20 0 JIADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001358489462 1068114484 /nfs/dbraw/zinc/11/44/84/1068114484.db2.gz YFKSXRBBPNHWCB-VQTJNVASSA-N 1 1 450.023 4.456 20 0 JIADMO COc1cc(-c2noc(C[NH+]3CCC(CNC(=O)OCc4ccccc4)CC3)n2)ccc1C ZINC001473433595 1068177016 /nfs/dbraw/zinc/17/70/16/1068177016.db2.gz WGBNZALUSAGRGQ-UHFFFAOYSA-N 1 1 450.539 4.192 20 0 JIADMO C[N@H+]1CCCC[C@@H](CNC(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)C1 ZINC001200364652 1068253590 /nfs/dbraw/zinc/25/35/90/1068253590.db2.gz OIIUGZHPGJOEAB-AWEZNQCLSA-N 1 1 450.370 4.494 20 0 JIADMO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3cc(Br)cs3)no2)C1(C)C ZINC001473598001 1068265257 /nfs/dbraw/zinc/26/52/57/1068265257.db2.gz PHHYGDHXRDESQM-CHWSQXEVSA-N 1 1 457.394 4.342 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C(C)(C)C)n3CCCN(C)CC(F)(F)F)CC2)c1 ZINC001300329517 1068266629 /nfs/dbraw/zinc/26/66/29/1068266629.db2.gz CSBPMIUBKKAOFL-LJQANCHMSA-N 1 1 496.622 4.352 20 0 JIADMO O[C@H](C[NH2+]C1(c2ncccn2)CCOCC1)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001473822892 1068286611 /nfs/dbraw/zinc/28/66/11/1068286611.db2.gz MQICMWRCHKSYKE-OAQYLSRUSA-N 1 1 454.368 4.235 20 0 JIADMO 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COc1cccc(-c2nnc(N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2CCOC(C)(C)C)c1 ZINC001300370231 1068420074 /nfs/dbraw/zinc/42/00/74/1068420074.db2.gz WMBSOBWQAFOCOR-OYRHEFFESA-N 1 1 485.673 4.094 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001300382839 1068472927 /nfs/dbraw/zinc/47/29/27/1068472927.db2.gz YZJQKCPKLKOEFH-NRFANRHFSA-N 1 1 481.563 4.376 20 0 JIADMO COc1cccc([C@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+](C)C3CCCCC3)CCO2)c1 ZINC001300407136 1068577917 /nfs/dbraw/zinc/57/79/17/1068577917.db2.gz NKDLRNIEKKHGPE-XMMPIXPASA-N 1 1 455.647 4.328 20 0 JIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c1 ZINC001200486534 1068718643 /nfs/dbraw/zinc/71/86/43/1068718643.db2.gz LFFHHKDALCLWDM-UHFFFAOYSA-N 1 1 451.592 4.434 20 0 JIADMO COc1ccccc1-c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001300462984 1068800887 /nfs/dbraw/zinc/80/08/87/1068800887.db2.gz BFAXSFPCRZIYSO-JTHBVZDNSA-N 1 1 468.690 4.242 20 0 JIADMO COc1ccccc1-c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001300467123 1068806912 /nfs/dbraw/zinc/80/69/12/1068806912.db2.gz XDHBSWSRQLZUJN-HXUWFJFHSA-N 1 1 498.672 4.274 20 0 JIADMO COc1ccccc1-c1nnc(N(C)Cc2ccon2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300470168 1068811066 /nfs/dbraw/zinc/81/10/66/1068811066.db2.gz JPDVQKILPZKXOC-BGYRXZFFSA-N 1 1 452.603 4.336 20 0 JIADMO Cc1c(C(=O)NCCC(C)(C)F)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1F)C2 ZINC001300475577 1068824047 /nfs/dbraw/zinc/82/40/47/1068824047.db2.gz NZVZWKVSUFNBLP-UHFFFAOYSA-N 1 1 453.537 4.141 20 0 JIADMO Cc1c(C(=O)NCCC(C)(C)F)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccc1F)C2 ZINC001300475577 1068824049 /nfs/dbraw/zinc/82/40/49/1068824049.db2.gz NZVZWKVSUFNBLP-UHFFFAOYSA-N 1 1 453.537 4.141 20 0 JIADMO COc1ccccc1-c1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1CC[N@@H+](C)C(C)C ZINC001300480305 1068832952 /nfs/dbraw/zinc/83/29/52/1068832952.db2.gz XWGCFXRGFGVSHY-AVRDEDQJSA-N 1 1 455.628 4.322 20 0 JIADMO COc1cc(NC(=S)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c(OC)cc1Cl ZINC001200534561 1068843513 /nfs/dbraw/zinc/84/35/13/1068843513.db2.gz FFBOHHNUWDCMFV-SFHVURJKSA-N 1 1 491.057 4.205 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300486051 1068845982 /nfs/dbraw/zinc/84/59/82/1068845982.db2.gz OWKGQCFSVLINJO-QHCPKHFHSA-N 1 1 496.700 4.016 20 0 JIADMO COc1ccc(F)c(C[NH+]2CCC(NC(=S)Nc3cc(OC)c(Cl)cc3OC)CC2)c1 ZINC001200549748 1068870124 /nfs/dbraw/zinc/87/01/24/1068870124.db2.gz WYXOKBHKJNZHDG-UHFFFAOYSA-N 1 1 467.994 4.456 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC1(OC)CCC(C)CC1 ZINC001300506038 1068878138 /nfs/dbraw/zinc/87/81/38/1068878138.db2.gz NZDHPCJXBGLBNL-UHFFFAOYSA-N 1 1 455.647 4.470 20 0 JIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC001354074032 1068880234 /nfs/dbraw/zinc/88/02/34/1068880234.db2.gz SEBJCBQPZLSCDI-OKZBNKHCSA-N 1 1 461.578 4.335 20 0 JIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC001354074032 1068880249 /nfs/dbraw/zinc/88/02/49/1068880249.db2.gz SEBJCBQPZLSCDI-OKZBNKHCSA-N 1 1 461.578 4.335 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CC[C@@H](OC)C(F)(F)F ZINC001300513921 1068895293 /nfs/dbraw/zinc/89/52/93/1068895293.db2.gz ULAUTXLKPRXUEM-HXUWFJFHSA-N 1 1 495.571 4.305 20 0 JIADMO COc1ccccc1-c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300518903 1068905241 /nfs/dbraw/zinc/90/52/41/1068905241.db2.gz SZSZWELGOCQFEU-HBMCJLEFSA-N 1 1 455.647 4.325 20 0 JIADMO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)CC[N@H+]1C ZINC001354116815 1068907298 /nfs/dbraw/zinc/90/72/98/1068907298.db2.gz IZJVEKNQIGBVQH-IIBYNOLFSA-N 1 1 458.400 4.185 20 0 JIADMO COc1ccccc1C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300528864 1068935421 /nfs/dbraw/zinc/93/54/21/1068935421.db2.gz HNZDFQQDSSHFSW-FYYLOGMGSA-N 1 1 471.690 4.300 20 0 JIADMO 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COc1ccccc1Cc1nnc(N(C)CCOC(C)(C)C)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001300546034 1068983758 /nfs/dbraw/zinc/98/37/58/1068983758.db2.gz BKHSDCOUNDCOJF-QFIPXVFZSA-N 1 1 457.663 4.249 20 0 JIADMO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849483159 1069051196 /nfs/dbraw/zinc/05/11/96/1069051196.db2.gz FXHVVGWMEZHJJO-JCTONOIOSA-N 1 1 460.066 4.087 20 0 JIADMO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849483159 1069051199 /nfs/dbraw/zinc/05/11/99/1069051199.db2.gz FXHVVGWMEZHJJO-JCTONOIOSA-N 1 1 460.066 4.087 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849486191 1069052009 /nfs/dbraw/zinc/05/20/09/1069052009.db2.gz JSSAYCFGKSNMIN-KAYWLYCHSA-N 1 1 482.632 4.403 20 0 JIADMO COc1ccc(-c2csc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)cc1F ZINC000849490519 1069058551 /nfs/dbraw/zinc/05/85/51/1069058551.db2.gz OCEAWTSVOQJBGE-MSOLQXFVSA-N 1 1 457.575 4.144 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Nc3nnc(Cc4cccc(F)c4)s3)cc2)C[C@H](C)O1 ZINC000504136320 1069058656 /nfs/dbraw/zinc/05/86/56/1069058656.db2.gz NXUFUXPBNHHYSU-CALCHBBNSA-N 1 1 469.586 4.199 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cn1 ZINC000849491770 1069060390 /nfs/dbraw/zinc/06/03/90/1069060390.db2.gz UDRRWBIDMSQAAO-FGZHOGPDSA-N 1 1 454.521 4.286 20 0 JIADMO COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)c1 ZINC000849493067 1069061812 /nfs/dbraw/zinc/06/18/12/1069061812.db2.gz ZROWSDHUBVINIS-UYAOXDASSA-N 1 1 469.611 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@@H]2C)OCCO4)[C@H](c2cnn(C)c2)C1 ZINC000849492602 1069062770 /nfs/dbraw/zinc/06/27/70/1069062770.db2.gz SFFFXANDUANYRT-SSPYTLHUSA-N 1 1 492.664 4.420 20 0 JIADMO CCOC(=O)c1sc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849493852 1069063812 /nfs/dbraw/zinc/06/38/12/1069063812.db2.gz MODFMJKODUNMOL-PMACEKPBSA-N 1 1 481.622 4.173 20 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459.594 4.433 20 0 JIADMO COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cn1 ZINC000849499631 1069071415 /nfs/dbraw/zinc/07/14/15/1069071415.db2.gz NEFQQCPJRKMSRM-VXKWHMMOSA-N 1 1 463.582 4.377 20 0 JIADMO 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 1069072134 /nfs/dbraw/zinc/07/21/34/1069072134.db2.gz PNOJXMLCZYNHSW-GKBBYZSKSA-N 1 1 473.621 4.364 20 0 JIADMO CC(C)c1ccc(OC2CCN(C(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)CC2)cc1 ZINC000849500786 1069072225 /nfs/dbraw/zinc/07/22/25/1069072225.db2.gz JDEVOQZBFOPFQG-FTJBHMTQSA-N 1 1 452.643 4.427 20 0 JIADMO CC(C)c1ccc(OC2CCN(C(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CC2)cc1 ZINC000849500787 1069072963 /nfs/dbraw/zinc/07/29/63/1069072963.db2.gz JDEVOQZBFOPFQG-IZZNHLLZSA-N 1 1 452.643 4.427 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849501499 1069073968 /nfs/dbraw/zinc/07/39/68/1069073968.db2.gz 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ZBSBMJVSZGQNEF-YESZJQIVSA-N 1 1 453.439 4.380 20 0 JIADMO Cc1cc(Cc2cnc(NC(=O)[C@@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)s2)ccc1Br ZINC000849507024 1069088051 /nfs/dbraw/zinc/08/80/51/1069088051.db2.gz YTOFTEAKYLOFPA-RTBURBONSA-N 1 1 488.455 4.212 20 0 JIADMO COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cc1F ZINC000849508268 1069088984 /nfs/dbraw/zinc/08/89/84/1069088984.db2.gz HWBJWOQGUOZZGK-PMACEKPBSA-N 1 1 452.530 4.343 20 0 JIADMO COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc1F ZINC000849508274 1069089000 /nfs/dbraw/zinc/08/90/00/1069089000.db2.gz HWBJWOQGUOZZGK-WOJBJXKFSA-N 1 1 452.530 4.343 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC2(c3ccc(Br)cc3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849506755 1069089008 /nfs/dbraw/zinc/08/90/08/1069089008.db2.gz NNYYICCNPVPXNL-YADHBBJMSA-N 1 1 473.459 4.235 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300573636 1069089436 /nfs/dbraw/zinc/08/94/36/1069089436.db2.gz JOUPYTAZBKIBCK-DENIHFKCSA-N 1 1 495.590 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](C)CCc2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849507578 1069089896 /nfs/dbraw/zinc/08/98/96/1069089896.db2.gz QETHVLXZJYVIHC-VOQZNFBZSA-N 1 1 461.448 4.134 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cn1 ZINC000849508657 1069090675 /nfs/dbraw/zinc/09/06/75/1069090675.db2.gz AKVBLCZTOHQWEC-ZEQRLZLVSA-N 1 1 492.023 4.227 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)[C@@H](c2cnn(C)c2)C1 ZINC000849509627 1069092234 /nfs/dbraw/zinc/09/22/34/1069092234.db2.gz MCUPZYNDFOIPJP-FCHUYYIVSA-N 1 1 474.584 4.479 20 0 JIADMO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)[C@@H](c2cnn(C)c2)C1 ZINC000849509627 1069092247 /nfs/dbraw/zinc/09/22/47/1069092247.db2.gz MCUPZYNDFOIPJP-FCHUYYIVSA-N 1 1 474.584 4.479 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)[C@@H](c2cnn(C)c2)C1 ZINC000849509627 1069092277 /nfs/dbraw/zinc/09/22/77/1069092277.db2.gz MCUPZYNDFOIPJP-FCHUYYIVSA-N 1 1 474.584 4.479 20 0 JIADMO COc1ccccc1Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC1CCC(F)(F)CC1 ZINC001300574610 1069094477 /nfs/dbraw/zinc/09/44/77/1069094477.db2.gz ZVGILLYMEBPACC-UHFFFAOYSA-N 1 1 491.627 4.250 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC2(c3cccc(Br)c3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849510564 1069095238 /nfs/dbraw/zinc/09/52/38/1069095238.db2.gz RWTQRHJGLPUERD-SFTDATJTSA-N 1 1 459.432 4.192 20 0 JIADMO Cc1cc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n(-c2cccc(Br)c2)n1 ZINC000849514569 1069099647 /nfs/dbraw/zinc/09/96/47/1069099647.db2.gz IEFYNEZUUFHYRO-LEWJYISDSA-N 1 1 485.430 4.129 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC(C)(C)c2cccc(Br)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849514896 1069099767 /nfs/dbraw/zinc/09/97/67/1069099767.db2.gz JPFFKGMSTGSDLK-NHCUHLMSSA-N 1 1 461.448 4.091 20 0 JIADMO Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)[C@@H]4CC[N@H+](C)C[C@H]4c4cnn(C)c4)cc3s2)s1 ZINC000849516427 1069100939 /nfs/dbraw/zinc/10/09/39/1069100939.db2.gz PNLQJILTUBTNBS-MSOLQXFVSA-N 1 1 494.646 4.326 20 0 JIADMO Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849515732 1069102560 /nfs/dbraw/zinc/10/25/60/1069102560.db2.gz MRGYAFFPUIGBPJ-SFTDATJTSA-N 1 1 450.612 4.122 20 0 JIADMO COc1ccc(C[C@H](NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2ccccc2)cc1OC ZINC000849517056 1069103386 /nfs/dbraw/zinc/10/33/86/1069103386.db2.gz MPXZRLFQNMFTIW-ZNZIZOMTSA-N 1 1 490.648 4.351 20 0 JIADMO Cc1ccc(COc2ccc(C[C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)cc2)cc1 ZINC000849516671 1069104141 /nfs/dbraw/zinc/10/41/41/1069104141.db2.gz LTRNWKUKTISSNM-NJTBCWBZSA-N 1 1 460.622 4.090 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849516633 1069104285 /nfs/dbraw/zinc/10/42/85/1069104285.db2.gz LDYQWBLUMMTAQC-CLJLJLNGSA-N 1 1 457.622 4.435 20 0 JIADMO Cc1ccc(COc2ccc(C[C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)cc2)cc1 ZINC000849516669 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JIADMO Cc1nc(CNC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)oc1-c1ccc(Cl)cc1 ZINC000849558666 1069206740 /nfs/dbraw/zinc/20/67/40/1069206740.db2.gz OUGWIJSIZRGRFT-RTWAWAEBSA-N 1 1 455.990 4.167 20 0 JIADMO Cc1sc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)nc1-c1ccc(Br)cc1 ZINC000849562069 1069210987 /nfs/dbraw/zinc/21/09/87/1069210987.db2.gz JCUVFWZOKBNRLE-ROUUACIJSA-N 1 1 474.428 4.289 20 0 JIADMO C[NH+]1CCN(C(=O)C[C@H]2CC3(CCN(C(=S)Nc4cc(F)cc(F)c4)CC3)c3ccccc32)CC1 ZINC001200664828 1069218349 /nfs/dbraw/zinc/21/83/49/1069218349.db2.gz ZAEGPSVKXISSAC-IBGZPJMESA-N 1 1 498.643 4.347 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2csc(Br)c2)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849566882 1069218691 /nfs/dbraw/zinc/21/86/91/1069218691.db2.gz CJFHORLBMIHAPD-MOPGFXCFSA-N 1 1 465.461 4.249 20 0 JIADMO CCOc1ccc([C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c2cccc(Cl)c2)cc1 ZINC000849567555 1069219119 /nfs/dbraw/zinc/21/91/19/1069219119.db2.gz HYDNGBSPMVSLRC-GVAUOCQISA-N 1 1 467.013 4.413 20 0 JIADMO 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JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2c2ccc(Br)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849574939 1069227706 /nfs/dbraw/zinc/22/77/06/1069227706.db2.gz YLULSZGIJSOPAE-KSZLIROESA-N 1 1 465.461 4.422 20 0 JIADMO 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 1069229217 /nfs/dbraw/zinc/22/92/17/1069229217.db2.gz LKMFFSDJZNHTCW-HKBOAZHASA-N 1 1 465.411 4.403 20 0 JIADMO CCCOc1ccc(CN(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849577732 1069229891 /nfs/dbraw/zinc/22/98/91/1069229891.db2.gz SKIVLSVHIIKOHB-RRPNLBNLSA-N 1 1 460.622 4.473 20 0 JIADMO Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849579299 1069230709 /nfs/dbraw/zinc/23/07/09/1069230709.db2.gz OUYSIINTPGANFQ-VXKWHMMOSA-N 1 1 465.985 4.308 20 0 JIADMO 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 1069232476 /nfs/dbraw/zinc/23/24/76/1069232476.db2.gz FLQPKBGHQQLOHE-LEWJYISDSA-N 1 1 450.549 4.347 20 0 JIADMO CCCc1c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cnn1-c1ccc(F)cc1 ZINC000849580931 1069232573 /nfs/dbraw/zinc/23/25/73/1069232573.db2.gz CZMKKGYOYQBHNL-FCHUYYIVSA-N 1 1 452.578 4.150 20 0 JIADMO COc1cccc(C[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c1OC(C)C ZINC001200671746 1069235172 /nfs/dbraw/zinc/23/51/72/1069235172.db2.gz GZPLRYGCDKCPAJ-UHFFFAOYSA-N 1 1 456.564 4.363 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)cn1 ZINC000849586214 1069235771 /nfs/dbraw/zinc/23/57/71/1069235771.db2.gz OJADRBQFDFAVGL-NHCUHLMSSA-N 1 1 462.985 4.146 20 0 JIADMO CC(C)C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849586217 1069236064 /nfs/dbraw/zinc/23/60/64/1069236064.db2.gz OJDWOHFVRQKSCR-FUDKSRODSA-N 1 1 461.448 4.296 20 0 JIADMO 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 1069237732 /nfs/dbraw/zinc/23/77/32/1069237732.db2.gz QFDRGPHXBDPAHF-FRYIKTPZSA-N 1 1 477.422 4.198 20 0 JIADMO 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 1069241294 /nfs/dbraw/zinc/24/12/94/1069241294.db2.gz XUNFKLLXKXBOLR-UXHICEINSA-N 1 1 495.546 4.138 20 0 JIADMO COCCC[C@H](CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849591424 1069241892 /nfs/dbraw/zinc/24/18/92/1069241892.db2.gz IRBIPMMZIIHQGW-FGCOXFRFSA-N 1 1 461.050 4.214 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc3c(cccc3Br)s2)[C@H](c2cnn(C)c2)C1 ZINC000849590991 1069242788 /nfs/dbraw/zinc/24/27/88/1069242788.db2.gz BGOATUOARPKYQE-CABCVRRESA-N 1 1 462.417 4.245 20 0 JIADMO 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 1069243455 /nfs/dbraw/zinc/24/34/55/1069243455.db2.gz JLMKFFJJHQVHQL-PBIIQAGSSA-N 1 1 491.602 4.379 20 0 JIADMO 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 1069243787 /nfs/dbraw/zinc/24/37/87/1069243787.db2.gz JLMKFFJJHQVHQL-WJHCDBIXSA-N 1 1 491.602 4.379 20 0 JIADMO 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 1069244711 /nfs/dbraw/zinc/24/47/11/1069244711.db2.gz KIVLMEDDUYEXGL-YADHBBJMSA-N 1 1 499.631 4.305 20 0 JIADMO 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 1069248025 /nfs/dbraw/zinc/24/80/25/1069248025.db2.gz ZEEIQCOCWFBODJ-QZTJIDSGSA-N 1 1 462.438 4.152 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849594694 1069248097 /nfs/dbraw/zinc/24/80/97/1069248097.db2.gz HIELFEIJNUUNKX-WOJBJXKFSA-N 1 1 460.504 4.077 20 0 JIADMO 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 1069248818 /nfs/dbraw/zinc/24/88/18/1069248818.db2.gz LQHPQSWSMNRWPM-JCGIZDLHSA-N 1 1 451.384 4.013 20 0 JIADMO COc1ccc([C@H](Cc2ccccc2)NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849597515 1069251641 /nfs/dbraw/zinc/25/16/41/1069251641.db2.gz TXXFKBOKYYERER-PVHODMMVSA-N 1 1 460.622 4.343 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849597357 1069251810 /nfs/dbraw/zinc/25/18/10/1069251810.db2.gz SNSHPJCRCBUWHC-RTBURBONSA-N 1 1 478.494 4.216 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849600324 1069255986 /nfs/dbraw/zinc/25/59/86/1069255986.db2.gz PXZQRYNBWZDAPY-COPCDDAFSA-N 1 1 459.432 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849601443 1069257027 /nfs/dbraw/zinc/25/70/27/1069257027.db2.gz VQOGRQINIDPFHF-GOTSBHOMSA-N 1 1 461.025 4.461 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Cl)c(I)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849605922 1069262652 /nfs/dbraw/zinc/26/26/52/1069262652.db2.gz KMBLWAIIQTZIES-JKSUJKDBSA-N 1 1 486.785 4.131 20 0 JIADMO COc1ccc(Br)c2sc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)nc21 ZINC000849607284 1069263678 /nfs/dbraw/zinc/26/36/78/1069263678.db2.gz HUOZTUMXAWTJAU-HUUCEWRRSA-N 1 1 492.443 4.254 20 0 JIADMO 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 1069263730 /nfs/dbraw/zinc/26/37/30/1069263730.db2.gz QMUDJXQSNWISAY-WJPUGNRLSA-N 1 1 465.495 4.274 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC2(c3ccc(Br)cc3)CCCCC2)cn1 ZINC000849607986 1069265796 /nfs/dbraw/zinc/26/57/96/1069265796.db2.gz MOVZJLRTQLESSM-LEWJYISDSA-N 1 1 459.432 4.194 20 0 JIADMO 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 1069266866 /nfs/dbraw/zinc/26/68/66/1069266866.db2.gz JINGMFCSHNQDPM-HJOGWXRNSA-N 1 1 481.641 4.385 20 0 JIADMO 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 1069270633 /nfs/dbraw/zinc/27/06/33/1069270633.db2.gz QSBZVPCTHUWJAH-ZRBLBEILSA-N 1 1 459.034 4.266 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(-c3ccccc3Br)no2)[C@H](c2cnn(C)c2)C1 ZINC000849612255 1069271900 /nfs/dbraw/zinc/27/19/00/1069271900.db2.gz JIMQJJMOFXVMSD-AEFFLSMTSA-N 1 1 472.387 4.290 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)[C@H](c2cnn(C)c2)C1 ZINC000849612140 1069273040 /nfs/dbraw/zinc/27/30/40/1069273040.db2.gz FLVMSZSNPNCRMQ-WBVHZDCISA-N 1 1 478.544 4.410 20 0 JIADMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(F)c(I)c2)CC1 ZINC001354515147 1069284937 /nfs/dbraw/zinc/28/49/37/1069284937.db2.gz PHWOZDMLTNUUAY-LJQANCHMSA-N 1 1 452.311 4.339 20 0 JIADMO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1C ZINC001164626803 719098402 /nfs/dbraw/zinc/09/84/02/719098402.db2.gz IWKFZSZQWFHTSM-GOTSBHOMSA-N 1 1 477.678 4.241 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@H]3[C@H]2CC[C@@H]3OCc2ccncc2)n1 ZINC001164649105 719294485 /nfs/dbraw/zinc/29/44/85/719294485.db2.gz GVZDMCPDOXPXCW-DPLHUUCSSA-N 1 1 481.666 4.498 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@@H]3CC(=O)N4Cc3cccnc3)c2c1C ZINC001164692976 719771565 /nfs/dbraw/zinc/77/15/65/719771565.db2.gz WTENBZUEXRFREU-RTWAWAEBSA-N 1 1 476.650 4.069 20 0 JIADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2F)nc2ccc(Cl)cc21 ZINC001164701384 719847518 /nfs/dbraw/zinc/84/75/18/719847518.db2.gz MAMMWFGDVDCRQE-WXTAPIANSA-N 1 1 498.986 4.322 20 0 JIADMO O=C(c1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)c1)N1CCCCC1 ZINC001164707893 719898249 /nfs/dbraw/zinc/89/82/49/719898249.db2.gz YJZRNANBYBNIAY-UHFFFAOYSA-N 1 1 475.058 4.294 20 0 JIADMO CCO[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)[C@@H]2CCCO[C@@H]12 ZINC001164712566 720063451 /nfs/dbraw/zinc/06/34/51/720063451.db2.gz KQZBVRUHCXMECI-OSJYTEGDSA-N 1 1 456.656 4.185 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)C2 ZINC001164814149 720090181 /nfs/dbraw/zinc/09/01/81/720090181.db2.gz VOXVZECXMDRLFQ-YCRPNKLZSA-N 1 1 454.924 4.152 20 0 JIADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164711124 720096966 /nfs/dbraw/zinc/09/69/66/720096966.db2.gz OPUFSRFQXFZFCC-HXUWFJFHSA-N 1 1 473.017 4.123 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(OC)nc1Cl)CC2 ZINC001164714922 720116482 /nfs/dbraw/zinc/11/64/82/720116482.db2.gz FIXHZNXEHFRYTP-SFHVURJKSA-N 1 1 466.960 4.191 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3cc(Cl)c(OC)cc31)CC2 ZINC001164715517 720118924 /nfs/dbraw/zinc/11/89/24/720118924.db2.gz GWVLFROSIZSPMZ-LJQANCHMSA-N 1 1 468.001 4.194 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(-c3cccc(OC)c3)n1)CC2 ZINC001164712613 720130548 /nfs/dbraw/zinc/13/05/48/720130548.db2.gz NVJZODPKUABWKQ-HSZRJFAPSA-N 1 1 459.594 4.055 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(-c3ccccc3OC)n1)CC2 ZINC001164712161 720145626 /nfs/dbraw/zinc/14/56/26/720145626.db2.gz KPEKVOVEXURHOW-QFIPXVFZSA-N 1 1 459.594 4.055 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Oc3ccc(OC)cc3)nc(C)n1)CC2 ZINC001164712073 720151342 /nfs/dbraw/zinc/15/13/42/720151342.db2.gz KKGGVHFLYFMROK-QHCPKHFHSA-N 1 1 489.620 4.488 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164817789 720168434 /nfs/dbraw/zinc/16/84/34/720168434.db2.gz QFWUGDDCAYONRY-LYZGTLIUSA-N 1 1 495.737 4.351 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)C2 ZINC001164819806 720170434 /nfs/dbraw/zinc/17/04/34/720170434.db2.gz YITLWXSMDITWAH-DCFHFQCYSA-N 1 1 475.662 4.427 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1OC)C2 ZINC001164814197 720199298 /nfs/dbraw/zinc/19/92/98/720199298.db2.gz UDYIKVYIGAZNAN-UUOWRZLLSA-N 1 1 458.990 4.116 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CCC2 ZINC001164814020 720226000 /nfs/dbraw/zinc/22/60/00/720226000.db2.gz QZQOGSZKBYCIBB-UHFFFAOYSA-N 1 1 497.377 4.289 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@]3(CCN(CC4CC4)C3=O)C2)n1 ZINC001164820283 720281655 /nfs/dbraw/zinc/28/16/55/720281655.db2.gz VJBIFPWQANYSAB-VWLOTQADSA-N 1 1 455.672 4.379 20 0 JIADMO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724096 720476289 /nfs/dbraw/zinc/47/62/89/720476289.db2.gz DVOUPDZNUKWACP-NHCUHLMSSA-N 1 1 487.938 4.382 20 0 JIADMO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724096 720476313 /nfs/dbraw/zinc/47/63/13/720476313.db2.gz DVOUPDZNUKWACP-NHCUHLMSSA-N 1 1 487.938 4.382 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4sc5c(c43)CC[C@@H](C)C5)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836780 720541101 /nfs/dbraw/zinc/54/11/01/720541101.db2.gz KXADTHAVVKNILJ-WERVVEIQSA-N 1 1 450.656 4.390 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc4ccccc4nc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833552 720565674 /nfs/dbraw/zinc/56/56/74/720565674.db2.gz AAIBZZJPGQZRDX-FUHIMQAGSA-N 1 1 460.960 4.402 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)CC[C@@H]21 ZINC001164833553 720566257 /nfs/dbraw/zinc/56/62/57/720566257.db2.gz AAIBZZJPGQZRDX-UWVAXJGDSA-N 1 1 460.960 4.402 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4ccccc4nc3N3CCCCC3)CC[C@@H]21 ZINC001164840123 720594919 /nfs/dbraw/zinc/59/49/19/720594919.db2.gz PBWFKMBENJKDTD-SLSDLSHTSA-N 1 1 459.642 4.194 20 0 JIADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164842720 720599869 /nfs/dbraw/zinc/59/98/69/720599869.db2.gz VFYNZXLDRZPIHN-XUVXKRRUSA-N 1 1 482.654 4.059 20 0 JIADMO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)o2)cc1 ZINC001164835605 720608786 /nfs/dbraw/zinc/60/87/86/720608786.db2.gz BSPJMYBXSOEYPO-FDFHNCONSA-N 1 1 457.582 4.168 20 0 JIADMO Fc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164737582 720661529 /nfs/dbraw/zinc/66/15/29/720661529.db2.gz GKOKGYKFBPASPI-PMACEKPBSA-N 1 1 476.943 4.221 20 0 JIADMO CCOC(=O)c1nc2ccccc2c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164843317 720665283 /nfs/dbraw/zinc/66/52/83/720665283.db2.gz WECVFCHUABUPDH-NRFANRHFSA-N 1 1 460.578 4.066 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164841727 720667562 /nfs/dbraw/zinc/66/75/62/720667562.db2.gz PRZQTKZYCVQHQM-SANMLTNESA-N 1 1 483.660 4.295 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)CC2 ZINC001164841026 720670416 /nfs/dbraw/zinc/67/04/16/720670416.db2.gz OSCJTSAGPMWZGO-FQEVSTJZSA-N 1 1 453.587 4.084 20 0 JIADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc2)C1 ZINC001164841025 720711980 /nfs/dbraw/zinc/71/19/80/720711980.db2.gz UJJBWRQWEFXKNP-RCZVLFRGSA-N 1 1 462.638 4.214 20 0 JIADMO Cc1sc2nc(-c3cccs3)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164745315 720762001 /nfs/dbraw/zinc/76/20/01/720762001.db2.gz VACMHRAMHGTWIO-SJORKVTESA-N 1 1 464.620 4.169 20 0 JIADMO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748763 720835233 /nfs/dbraw/zinc/83/52/33/720835233.db2.gz UVONLLZUNYFRJN-IRFCIJBXSA-N 1 1 472.971 4.404 20 0 JIADMO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748767 720835407 /nfs/dbraw/zinc/83/54/07/720835407.db2.gz UVONLLZUNYFRJN-QKNQBKEWSA-N 1 1 472.971 4.404 20 0 JIADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164751089 720846627 /nfs/dbraw/zinc/84/66/27/720846627.db2.gz YLOCVGBLMAEBFX-YSIASYRMSA-N 1 1 483.979 4.032 20 0 JIADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741312 720849209 /nfs/dbraw/zinc/84/92/09/720849209.db2.gz DXFVRIXWGAPAMB-XKCSPQBFSA-N 1 1 499.997 4.313 20 0 JIADMO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C ZINC001164752504 720852625 /nfs/dbraw/zinc/85/26/25/720852625.db2.gz SSMGAKOOHGZFHB-ZFGGDYGUSA-N 1 1 478.044 4.385 20 0 JIADMO Fc1ccc(F)c2c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc(Cl)nc12 ZINC001164750388 720859605 /nfs/dbraw/zinc/85/96/05/720859605.db2.gz PQPATYOAYSITCE-FRQCXROJSA-N 1 1 458.944 4.137 20 0 JIADMO CCOC(=O)c1cnc(Cl)cc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755911 720869880 /nfs/dbraw/zinc/86/98/80/720869880.db2.gz ZYFYBWQKNPVTFP-HFZDXXHNSA-N 1 1 485.028 4.062 20 0 JIADMO CSc1nc(Cl)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748584 720870467 /nfs/dbraw/zinc/87/04/67/720870467.db2.gz FYPPRJKXDXYYMI-XXBNENTESA-N 1 1 460.047 4.002 20 0 JIADMO CCOC(=O)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1Cl ZINC001164747403 720873885 /nfs/dbraw/zinc/87/38/85/720873885.db2.gz BJYKIGOLSMQTPV-RLWLMLJZSA-N 1 1 485.028 4.062 20 0 JIADMO CCOC(=O)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1Cl ZINC001164747397 720874250 /nfs/dbraw/zinc/87/42/50/720874250.db2.gz BJYKIGOLSMQTPV-LVXARBLLSA-N 1 1 485.028 4.062 20 0 JIADMO CC(C)(C)OC(=O)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164753010 720876205 /nfs/dbraw/zinc/87/62/05/720876205.db2.gz OLRMWCQKBXWGLH-UFHPHHKVSA-N 1 1 478.637 4.187 20 0 JIADMO Clc1ccnc2c1ccnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747268 720876569 /nfs/dbraw/zinc/87/65/69/720876569.db2.gz AYJCGKZUBTUZKC-RLWLMLJZSA-N 1 1 464.013 4.433 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4cccs4)nc4sc(C)c(C)c43)CC[C@@H]2C1 ZINC001164863104 720876631 /nfs/dbraw/zinc/87/66/31/720876631.db2.gz SNTWTLBHYOWVJE-MSOLQXFVSA-N 1 1 458.653 4.210 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4cccs4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164858321 720876738 /nfs/dbraw/zinc/87/67/38/720876738.db2.gz KRWFAKQBCNTUIF-SJLPKXTDSA-N 1 1 470.664 4.082 20 0 JIADMO c1ccc(Oc2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)cc1 ZINC001164754553 720878068 /nfs/dbraw/zinc/87/80/68/720878068.db2.gz SAWBGYDYHFUANM-CUBQBAPOSA-N 1 1 471.605 4.419 20 0 JIADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755054 720882843 /nfs/dbraw/zinc/88/28/43/720882843.db2.gz KLDMUOHGAGNSTL-WXVAWEFUSA-N 1 1 499.055 4.370 20 0 JIADMO Clc1cccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cnc12 ZINC001164752597 720883409 /nfs/dbraw/zinc/88/34/09/720883409.db2.gz FLFJFEWHZJXHOU-HFZDXXHNSA-N 1 1 464.013 4.433 20 0 JIADMO Clc1cccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)cnc12 ZINC001164752598 720883606 /nfs/dbraw/zinc/88/36/06/720883606.db2.gz FLFJFEWHZJXHOU-LVXARBLLSA-N 1 1 464.013 4.433 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)CC[C@H]2C1 ZINC001164853375 720883867 /nfs/dbraw/zinc/88/38/67/720883867.db2.gz CFOMGELGJWALQT-LAUBAEHRSA-N 1 1 469.935 4.260 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)CC[C@@H]2C1 ZINC001164853374 720884234 /nfs/dbraw/zinc/88/42/34/720884234.db2.gz CFOMGELGJWALQT-DYESRHJHSA-N 1 1 469.935 4.260 20 0 JIADMO COC(=O)c1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c1 ZINC001164751792 720885449 /nfs/dbraw/zinc/88/54/49/720885449.db2.gz DRJASSXYWFZXMB-SVEHJYQDSA-N 1 1 486.616 4.172 20 0 JIADMO Clc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2cccnc2n1 ZINC001164757124 720886197 /nfs/dbraw/zinc/88/61/97/720886197.db2.gz SQFNRSLDJQOACT-LVXARBLLSA-N 1 1 464.013 4.433 20 0 JIADMO COc1cccc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756264 720889050 /nfs/dbraw/zinc/88/90/50/720889050.db2.gz OYDHPFIWPDKJKJ-JIPXPUAJSA-N 1 1 494.039 4.442 20 0 JIADMO COc1ccc2nc(Cl)cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2n1 ZINC001164754419 720892995 /nfs/dbraw/zinc/89/29/95/720892995.db2.gz IUUZPLUWENDVEO-ZBLYBZFDSA-N 1 1 494.039 4.442 20 0 JIADMO CC(C)(C)Oc1cccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757128 720894384 /nfs/dbraw/zinc/89/43/84/720894384.db2.gz STNGREVHRDVACM-KCWPFWIISA-N 1 1 450.627 4.409 20 0 JIADMO Clc1ccc(CN2CCCC2)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757480 720894566 /nfs/dbraw/zinc/89/45/66/720894566.db2.gz VDASGNZTEFDHRS-LEAFIULHSA-N 1 1 496.099 4.481 20 0 JIADMO c1csc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)c1 ZINC001164758440 720896889 /nfs/dbraw/zinc/89/68/89/720896889.db2.gz YCRFGNTUQQHLLS-BKMJKUGQSA-N 1 1 461.635 4.355 20 0 JIADMO COc1cccc(-c2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)c1 ZINC001164750538 720898070 /nfs/dbraw/zinc/89/80/70/720898070.db2.gz BIXLHAGTTYWHPF-ABYGYWHVSA-N 1 1 485.632 4.302 20 0 JIADMO COc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccccc21 ZINC001164751760 720899320 /nfs/dbraw/zinc/89/93/20/720899320.db2.gz DLHYRYSGXVHRCF-FIPFOOKPSA-N 1 1 458.606 4.394 20 0 JIADMO Clc1ccnc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164754456 720904101 /nfs/dbraw/zinc/90/41/01/720904101.db2.gz IZROZFJAGBCQEB-QFQXNSOFSA-N 1 1 464.013 4.433 20 0 JIADMO c1ccc(-c2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)cc1 ZINC001164753741 720908409 /nfs/dbraw/zinc/90/84/09/720908409.db2.gz SLTPJTDLIPBNJR-LSYYVWMOSA-N 1 1 455.606 4.294 20 0 JIADMO c1csc(-c2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)c1 ZINC001164752680 720916211 /nfs/dbraw/zinc/91/62/11/720916211.db2.gz OJENFLCAOPLFJM-GJZUVCINSA-N 1 1 461.635 4.355 20 0 JIADMO Fc1cccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164750533 720920405 /nfs/dbraw/zinc/92/04/05/720920405.db2.gz JTGZRJKRFKJNOK-YWEHKCAJSA-N 1 1 473.596 4.433 20 0 JIADMO COc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c(C)nc2c1 ZINC001164748420 720921092 /nfs/dbraw/zinc/92/10/92/720921092.db2.gz GACOEYGHJLUDBZ-QDPGVEIFSA-N 1 1 473.621 4.097 20 0 JIADMO CCc1nc2sccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753122 720927937 /nfs/dbraw/zinc/92/79/37/720927937.db2.gz QFJVUXBOGTVYDV-QFQXNSOFSA-N 1 1 463.651 4.404 20 0 JIADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(COC4CCC4)cn2)C3)c1 ZINC001164752148 720928975 /nfs/dbraw/zinc/92/89/75/720928975.db2.gz NHEUPNGHRKMJEV-LSYYVWMOSA-N 1 1 462.638 4.301 20 0 JIADMO Fc1ccc(-c2cncc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164752119 720933313 /nfs/dbraw/zinc/93/33/13/720933313.db2.gz NDZJATBIKUCBPD-UFHPHHKVSA-N 1 1 473.596 4.433 20 0 JIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)[C@@H]2C ZINC001164859860 720935532 /nfs/dbraw/zinc/93/55/32/720935532.db2.gz NYNNHHSMFPHYOJ-LJQANCHMSA-N 1 1 480.060 4.306 20 0 JIADMO Clc1nc2c(nc1N1CC[C@]3(C1)C[N@@H+](CC1CC1)C[C@H]3COCc1cccnc1)CCCC2 ZINC001164751399 720936349 /nfs/dbraw/zinc/93/63/49/720936349.db2.gz MDNBBBLYRIGOHM-HFZDXXHNSA-N 1 1 468.045 4.159 20 0 JIADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866104 721063331 /nfs/dbraw/zinc/06/33/31/721063331.db2.gz CTYMLQHEPIJAEX-SJORKVTESA-N 1 1 480.346 4.356 20 0 JIADMO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866380 721097667 /nfs/dbraw/zinc/09/76/67/721097667.db2.gz SXOOXWHLEBGQRX-HZPDHXFCSA-N 1 1 480.346 4.356 20 0 JIADMO c1ccc(Cc2nnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c3ccccc23)cc1 ZINC001164871621 721136880 /nfs/dbraw/zinc/13/68/80/721136880.db2.gz FYHVGZYPQOOGBK-RPWUZVMVSA-N 1 1 451.574 4.095 20 0 JIADMO COc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c23)cc1 ZINC001164876471 721139689 /nfs/dbraw/zinc/13/96/89/721139689.db2.gz MRRZKYINERFEED-IRLDBZIGSA-N 1 1 473.602 4.242 20 0 JIADMO c1cncc(CO[C@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)CC[N@H+]3C2)c1 ZINC001164879004 721145625 /nfs/dbraw/zinc/14/56/25/721145625.db2.gz RFWMQVWUNCXJHK-SFTDATJTSA-N 1 1 484.629 4.117 20 0 JIADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879114 721165810 /nfs/dbraw/zinc/16/58/10/721165810.db2.gz RVPVMMQIVMNYPR-LEWJYISDSA-N 1 1 471.939 4.217 20 0 JIADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880731 721170964 /nfs/dbraw/zinc/17/09/64/721170964.db2.gz XJEHEBHANDRTMX-NHCUHLMSSA-N 1 1 471.939 4.217 20 0 JIADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880732 721171354 /nfs/dbraw/zinc/17/13/54/721171354.db2.gz XJEHEBHANDRTMX-RTWAWAEBSA-N 1 1 471.939 4.217 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164774353 721195131 /nfs/dbraw/zinc/19/51/31/721195131.db2.gz YNIARAWDQCOXER-RTWAWAEBSA-N 1 1 485.661 4.324 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc(-c5ccc(Cl)nn5)cc4)C[C@H]3C2)cn1 ZINC001164772848 721206198 /nfs/dbraw/zinc/20/61/98/721206198.db2.gz VMYLHVRPPZTHLX-RBUKOAKNSA-N 1 1 458.944 4.034 20 0 JIADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164761963 721225999 /nfs/dbraw/zinc/22/59/99/721225999.db2.gz BFLPUECPZNWFBC-FGZHOGPDSA-N 1 1 487.677 4.112 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)C[C@H]3C2)cn1 ZINC001164762715 721227392 /nfs/dbraw/zinc/22/73/92/721227392.db2.gz DLMQCOGAENPIKM-RBUKOAKNSA-N 1 1 458.944 4.034 20 0 JIADMO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]32)C1=O ZINC001164872614 721232102 /nfs/dbraw/zinc/23/21/02/721232102.db2.gz NEMACMKFISBBIY-ZNFWPTJWSA-N 1 1 492.693 4.031 20 0 JIADMO CCN1C(C)=N[C@@]2(CC[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]32)C1=O ZINC001164872607 721232162 /nfs/dbraw/zinc/23/21/62/721232162.db2.gz NEMACMKFISBBIY-CPLYKCMESA-N 1 1 492.693 4.031 20 0 JIADMO CC(C)(C)C(=O)Oc1cc2ncnc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c2cc1OC(=O)C(C)(C)C ZINC001164769624 721296731 /nfs/dbraw/zinc/29/67/31/721296731.db2.gz KDSORAPDHNNXDW-UHFFFAOYSA-N 1 1 494.636 4.455 20 0 JIADMO CCN1CC[C@]2(CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@H](C)C5)C[C@H]2C)C1=O ZINC001164778993 721321490 /nfs/dbraw/zinc/32/14/90/721321490.db2.gz SULIQBRUIFBWNG-CUAXAMRHSA-N 1 1 467.683 4.107 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(c2ccccn2)c2ccnc([C@@H]3COCCN3)n2)nc1 ZINC001164877564 721330696 /nfs/dbraw/zinc/33/06/96/721330696.db2.gz WCZFHCKAGCCPBE-VXKWHMMOSA-N 1 1 459.598 4.334 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccnc3C3SCCCS3)C2)C1 ZINC001164778753 721343906 /nfs/dbraw/zinc/34/39/06/721343906.db2.gz OIJFOKDDMVCRIT-QHCPKHFHSA-N 1 1 475.684 4.069 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccnc3C3SCCCS3)C2)C1 ZINC001164778753 721343908 /nfs/dbraw/zinc/34/39/08/721343908.db2.gz OIJFOKDDMVCRIT-QHCPKHFHSA-N 1 1 475.684 4.069 20 0 JIADMO COc1ccc2nc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c(Cl)nc2c1 ZINC001164778728 721346524 /nfs/dbraw/zinc/34/65/24/721346524.db2.gz OGVLDJKMTSJEQL-XMMPIXPASA-N 1 1 471.989 4.016 20 0 JIADMO COc1ccc2nc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c(Cl)nc2c1 ZINC001164778728 721346531 /nfs/dbraw/zinc/34/65/31/721346531.db2.gz OGVLDJKMTSJEQL-XMMPIXPASA-N 1 1 471.989 4.016 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)Nc4ccccc4)ccn3)C2)C1 ZINC001164776852 721351458 /nfs/dbraw/zinc/35/14/58/721351458.db2.gz DKRJCLXZATYWRV-HHHXNRCGSA-N 1 1 475.593 4.058 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)Nc4ccccc4)ccn3)C2)C1 ZINC001164776852 721351464 /nfs/dbraw/zinc/35/14/64/721351464.db2.gz DKRJCLXZATYWRV-HHHXNRCGSA-N 1 1 475.593 4.058 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3OCc3ccccc3)C2)C1 ZINC001164776462 721352791 /nfs/dbraw/zinc/35/27/91/721352791.db2.gz BUUDWHVXOJJTIH-AREMUKBSSA-N 1 1 498.027 4.433 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3OCc3ccccc3)C2)C1 ZINC001164776462 721352792 /nfs/dbraw/zinc/35/27/92/721352792.db2.gz BUUDWHVXOJJTIH-AREMUKBSSA-N 1 1 498.027 4.433 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccc(Cl)nc4)n3)C2)C1 ZINC001164787091 721372221 /nfs/dbraw/zinc/37/22/21/721372221.db2.gz YWZPWKCFKOIUCV-RUZDIDTESA-N 1 1 483.016 4.224 20 0 JIADMO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164780344 721373985 /nfs/dbraw/zinc/37/39/85/721373985.db2.gz GCKBHBVIRRJXGD-XNMGPUDCSA-N 1 1 467.658 4.352 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164780344 721373988 /nfs/dbraw/zinc/37/39/88/721373988.db2.gz GCKBHBVIRRJXGD-XNMGPUDCSA-N 1 1 467.658 4.352 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(-c4ccccc4F)cc3C)C2)C1 ZINC001164780621 721374554 /nfs/dbraw/zinc/37/45/54/721374554.db2.gz HFDWDHCKKGOIKH-AREMUKBSSA-N 1 1 465.573 4.315 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nnc(-c4ccccc4F)cc3C)C2)C1 ZINC001164780621 721374556 /nfs/dbraw/zinc/37/45/56/721374556.db2.gz HFDWDHCKKGOIKH-AREMUKBSSA-N 1 1 465.573 4.315 20 0 JIADMO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)n2)cc1 ZINC001164788422 721401661 /nfs/dbraw/zinc/40/16/61/721401661.db2.gz RTZDLVCYKKGSJH-ROUUACIJSA-N 1 1 461.566 4.469 20 0 JIADMO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164791113 721426485 /nfs/dbraw/zinc/42/64/85/721426485.db2.gz ZQIURYZGLPVUHS-RTBURBONSA-N 1 1 468.696 4.319 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(-c5ccccc5)nnc4Cl)C3)O2)CC1 ZINC001164897605 721436505 /nfs/dbraw/zinc/43/65/05/721436505.db2.gz UIUYLUHWAKRTLL-GBXCKJPGSA-N 1 1 492.014 4.107 20 0 JIADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)n2)s1 ZINC001164894424 721439563 /nfs/dbraw/zinc/43/95/63/721439563.db2.gz MNLUUEBDMIFVMA-IDISGSTGSA-N 1 1 477.678 4.432 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C3)O2)CC1 ZINC001164898797 721442211 /nfs/dbraw/zinc/44/22/11/721442211.db2.gz XHFAUPOCWRZORY-OFNKIYASSA-N 1 1 464.988 4.199 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C3)O2)CC1 ZINC001164892289 721443523 /nfs/dbraw/zinc/44/35/23/721443523.db2.gz HYNAURHJSACEHK-ZJSXRUAMSA-N 1 1 492.014 4.107 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4Cl)C3)O2)CC1 ZINC001164885405 721448289 /nfs/dbraw/zinc/44/82/89/721448289.db2.gz DPJLJNHLKOLPQN-HOYKHHGWSA-N 1 1 492.451 4.341 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3ccc(OC)cc31)CC2 ZINC001164785939 721448531 /nfs/dbraw/zinc/44/85/31/721448531.db2.gz JCYWMXAWUPVKPX-IBGZPJMESA-N 1 1 475.033 4.026 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C3)O2)CC1 ZINC001164885501 721453478 /nfs/dbraw/zinc/45/34/78/721453478.db2.gz FAJDLFSAZZVLOR-DVECYGJZSA-N 1 1 483.047 4.314 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(Cl)c3cccc(C)c31)CC2 ZINC001164786872 721459193 /nfs/dbraw/zinc/45/91/93/721459193.db2.gz QCRDZBKRBOSSFX-HXUWFJFHSA-N 1 1 459.034 4.326 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc(Cl)c(OC)cc31)CC2 ZINC001164788698 721460406 /nfs/dbraw/zinc/46/04/06/721460406.db2.gz VQOQEFMPVVHMSD-IBGZPJMESA-N 1 1 475.033 4.026 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3ccc(C)cc3)nn1)CC2 ZINC001164788802 721466922 /nfs/dbraw/zinc/46/69/22/721466922.db2.gz LEBONKVWMNQKMY-XMMPIXPASA-N 1 1 450.627 4.186 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C(F)F)nc3ccccc31)CC2 ZINC001164788766 721468724 /nfs/dbraw/zinc/46/87/24/721468724.db2.gz JWPNHLSNMYHTOJ-LJQANCHMSA-N 1 1 460.569 4.301 20 0 JIADMO CCc1nc(Cl)nc(Cl)c1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164791707 721473508 /nfs/dbraw/zinc/47/35/08/721473508.db2.gz XUYDXTIXMHTBRK-KRWDZBQOSA-N 1 1 457.446 4.080 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(F)ccc3c(Cl)ncnc31)CC2 ZINC001164788301 721473968 /nfs/dbraw/zinc/47/39/68/721473968.db2.gz IWCVODPJUWHXHC-SFHVURJKSA-N 1 1 462.997 4.156 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)N3c3nccs3)C2)nc1 ZINC001164902390 721495545 /nfs/dbraw/zinc/49/55/45/721495545.db2.gz YRGIETPUMWLGEP-OLKYXYMISA-N 1 1 492.697 4.241 20 0 JIADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164791554 721496425 /nfs/dbraw/zinc/49/64/25/721496425.db2.gz DOIWRYGIIYEMQM-UHFFFAOYSA-N 1 1 464.944 4.343 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CCOC[C@@H]4NC(=O)C(C)C)CC3)c2c1C ZINC001164899470 721501856 /nfs/dbraw/zinc/50/18/56/721501856.db2.gz YUBWCVNSSWYFRN-NRFANRHFSA-N 1 1 499.725 4.442 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)n1 ZINC001164896037 721505308 /nfs/dbraw/zinc/50/53/08/721505308.db2.gz GSMIQYLBZCITLN-OAQYLSRUSA-N 1 1 498.656 4.458 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)ncnc3c2)[C@@H]2CCCO[C@H]12 ZINC001164803717 721536680 /nfs/dbraw/zinc/53/66/80/721536680.db2.gz IWXFSEQVPAVQRK-NJYVYQBISA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)ncnc3c2)[C@@H]2CCCO[C@H]12 ZINC001164803717 721536683 /nfs/dbraw/zinc/53/66/83/721536683.db2.gz IWXFSEQVPAVQRK-NJYVYQBISA-N 1 1 459.928 4.091 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164801413 721550692 /nfs/dbraw/zinc/55/06/92/721550692.db2.gz FHFBMIKHFADICA-CYXNTTPDSA-N 1 1 478.600 4.469 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164801413 721550697 /nfs/dbraw/zinc/55/06/97/721550697.db2.gz FHFBMIKHFADICA-CYXNTTPDSA-N 1 1 478.600 4.469 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164799093 721551396 /nfs/dbraw/zinc/55/13/96/721551396.db2.gz ASGRFVHFRMGERC-VAMGGRTRSA-N 1 1 477.918 4.230 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164799093 721551399 /nfs/dbraw/zinc/55/13/99/721551399.db2.gz ASGRFVHFRMGERC-VAMGGRTRSA-N 1 1 477.918 4.230 20 0 JIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)CC[N@H+]3C2)c1 ZINC001164905926 721552101 /nfs/dbraw/zinc/55/21/01/721552101.db2.gz IBHWMZNMIPQUJF-MJGOQNOKSA-N 1 1 475.902 4.218 20 0 JIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)CC[N@H+]3C2)c1 ZINC001164905325 721557626 /nfs/dbraw/zinc/55/76/26/721557626.db2.gz GTDHGWIHZGVOAG-FUHWJXTLSA-N 1 1 475.902 4.218 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164801469 721570540 /nfs/dbraw/zinc/57/05/40/721570540.db2.gz GSHFQGRBLZGKIP-ZRRKCSAHSA-N 1 1 486.616 4.447 20 0 JIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164805444 721575972 /nfs/dbraw/zinc/57/59/72/721575972.db2.gz OAAKJVWWCDZZNK-ZFGGDYGUSA-N 1 1 480.996 4.328 20 0 JIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164805444 721575978 /nfs/dbraw/zinc/57/59/78/721575978.db2.gz OAAKJVWWCDZZNK-ZFGGDYGUSA-N 1 1 480.996 4.328 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)ccc2Oc2ccc(Cl)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164805417 721576862 /nfs/dbraw/zinc/57/68/62/721576862.db2.gz NTGOIHNLBRYSSY-DRMXPCRNSA-N 1 1 469.948 4.325 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164809643 721578763 /nfs/dbraw/zinc/57/87/63/721578763.db2.gz UHKCXLUATPNPPS-VDKIKQQVSA-N 1 1 477.996 4.251 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164809643 721578768 /nfs/dbraw/zinc/57/87/68/721578768.db2.gz UHKCXLUATPNPPS-VDKIKQQVSA-N 1 1 477.996 4.251 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c(-c4ccccc4)nsc32)[C@H]2CCCO[C@H]12 ZINC001164805141 721579590 /nfs/dbraw/zinc/57/95/90/721579590.db2.gz KTLDCARAZWLDBM-MZKRTTBSSA-N 1 1 458.591 4.017 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c(-c4ccccc4)nsc32)[C@H]2CCCO[C@H]12 ZINC001164805141 721579591 /nfs/dbraw/zinc/57/95/91/721579591.db2.gz KTLDCARAZWLDBM-MZKRTTBSSA-N 1 1 458.591 4.017 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(OCc4ccccc4)ccc32)[C@H]2CCCO[C@H]12 ZINC001164810796 721589312 /nfs/dbraw/zinc/58/93/12/721589312.db2.gz WEWFUKKYASYGAN-IARZGTGTSA-N 1 1 481.600 4.472 20 0 JIADMO FC(F)(COc1ccnc(Cl)c1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906695 721701098 /nfs/dbraw/zinc/70/10/98/721701098.db2.gz OSTYNINCUSMOSA-IBGZPJMESA-N 1 1 458.887 4.335 20 0 JIADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904965 721704235 /nfs/dbraw/zinc/70/42/35/721704235.db2.gz FXMABMUSXATUGD-OAQYLSRUSA-N 1 1 497.999 4.161 20 0 JIADMO CCOC(=O)c1cc2c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH]c(C)c(C)c-2n1 ZINC001164907286 721712640 /nfs/dbraw/zinc/71/26/40/721712640.db2.gz QLEZGUJVSBCEHJ-RUZDIDTESA-N 1 1 483.563 4.489 20 0 JIADMO COc1ccccc1-c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164910808 721724309 /nfs/dbraw/zinc/72/43/09/721724309.db2.gz HUYLETIKQRXOAW-XMMPIXPASA-N 1 1 451.521 4.285 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)C2 ZINC001164909500 721755973 /nfs/dbraw/zinc/75/59/73/721755973.db2.gz FXRYAOWCLYBEEK-UHFFFAOYSA-N 1 1 468.001 4.446 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)C2 ZINC001164909500 721755977 /nfs/dbraw/zinc/75/59/77/721755977.db2.gz FXRYAOWCLYBEEK-UHFFFAOYSA-N 1 1 468.001 4.446 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)C2 ZINC001164911498 721759738 /nfs/dbraw/zinc/75/97/38/721759738.db2.gz PEUIRNZEBZPJRF-UHFFFAOYSA-N 1 1 489.580 4.488 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)C2 ZINC001164911498 721759740 /nfs/dbraw/zinc/75/97/40/721759740.db2.gz PEUIRNZEBZPJRF-UHFFFAOYSA-N 1 1 489.580 4.488 20 0 JIADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164908993 721759994 /nfs/dbraw/zinc/75/99/94/721759994.db2.gz BLLSYNRMSASKPQ-UHFFFAOYSA-N 1 1 476.911 4.249 20 0 JIADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164908993 721759995 /nfs/dbraw/zinc/75/99/95/721759995.db2.gz BLLSYNRMSASKPQ-UHFFFAOYSA-N 1 1 476.911 4.249 20 0 JIADMO COC(=O)c1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c2ccccc2c1OC ZINC001164910421 721763603 /nfs/dbraw/zinc/76/36/03/721763603.db2.gz FUPKBQCETXKKBY-UHFFFAOYSA-N 1 1 472.545 4.213 20 0 JIADMO COC(=O)c1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c2ccccc2c1OC ZINC001164910421 721763609 /nfs/dbraw/zinc/76/36/09/721763609.db2.gz FUPKBQCETXKKBY-UHFFFAOYSA-N 1 1 472.545 4.213 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)C2 ZINC001164909457 721763618 /nfs/dbraw/zinc/76/36/18/721763618.db2.gz ADGQFKLOSWTTMB-UHFFFAOYSA-N 1 1 496.615 4.163 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)C2 ZINC001164909457 721763621 /nfs/dbraw/zinc/76/36/21/721763621.db2.gz ADGQFKLOSWTTMB-UHFFFAOYSA-N 1 1 496.615 4.163 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)C[C@@H]21 ZINC001165026894 721805010 /nfs/dbraw/zinc/80/50/10/721805010.db2.gz SCJXRCDHBQKTPT-WTIAFYNJSA-N 1 1 468.045 4.493 20 0 JIADMO c1cncc(O[C@@H]2CO[C@]3(CCN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C3)C2)c1 ZINC001164916092 721806938 /nfs/dbraw/zinc/80/69/38/721806938.db2.gz NFOAOPFYLMOJAX-CCLHPLFOSA-N 1 1 491.661 4.378 20 0 JIADMO COC(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cnc1Cl ZINC001165017897 721807743 /nfs/dbraw/zinc/80/77/43/721807743.db2.gz BBWFOAIMCGNOEE-RYGJVYDSSA-N 1 1 464.944 4.198 20 0 JIADMO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)c(OC)c1 ZINC001165028968 721827043 /nfs/dbraw/zinc/82/70/43/721827043.db2.gz WAXQCBYBAUVJCV-DNVKUUNQSA-N 1 1 459.594 4.293 20 0 JIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cnc3c(Cl)ncnc3c2)CC1 ZINC001165022657 721843097 /nfs/dbraw/zinc/84/30/97/721843097.db2.gz RFPKKAMJNLCVHP-UHFFFAOYSA-N 1 1 477.943 4.341 20 0 JIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2c3c(nnc2Cl)CCC3)CC1 ZINC001165022661 721843981 /nfs/dbraw/zinc/84/39/81/721843981.db2.gz ROAFCGWQWNXCBF-UHFFFAOYSA-N 1 1 466.960 4.282 20 0 JIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)COC(=O)Nc2cccnc2Cl)CC1 ZINC001165029796 721844620 /nfs/dbraw/zinc/84/46/20/721844620.db2.gz DLOAPFPWGNMRSI-UHFFFAOYSA-N 1 1 498.958 4.490 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@H]5[C@H]4CC[N@H+]5CCN(C)C)c23)C1 ZINC001164932638 721879623 /nfs/dbraw/zinc/87/96/23/721879623.db2.gz JVKLHPMQTOYRLY-BAGYTPMASA-N 1 1 482.742 4.017 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@H]5[C@H]4CCN5CC[NH+](C)C)c23)C1 ZINC001164932638 721879625 /nfs/dbraw/zinc/87/96/25/721879625.db2.gz JVKLHPMQTOYRLY-BAGYTPMASA-N 1 1 482.742 4.017 20 0 JIADMO C[NH+](C)[C@@H]1CCCN(C(F)(F)c2ccccc2S(=O)(=O)Nc2nc3ccccc3nc2Cl)C1 ZINC001165037859 721896341 /nfs/dbraw/zinc/89/63/41/721896341.db2.gz ZZSBQCYJMWUVDS-OAHLLOKOSA-N 1 1 495.983 4.159 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@@H](CO[C@H]4CC(=O)NC4CCC4)C3)c2c1C ZINC001164933363 721897157 /nfs/dbraw/zinc/89/71/57/721897157.db2.gz LEHQLPYLUJYITH-FCEUIQTBSA-N 1 1 497.709 4.194 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)n1 ZINC001164962601 722034668 /nfs/dbraw/zinc/03/46/68/722034668.db2.gz XVLYXOVGBDHNOX-IBVKSMDESA-N 1 1 478.666 4.078 20 0 JIADMO 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C[NH+]1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1 ZINC001350760594 1066997900 /nfs/dbraw/zinc/99/79/00/1066997900.db2.gz BQXDWKYCYHLPPJ-OUZREKFBSA-N 1 1 458.389 4.129 20 0 JIADMO O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318285607 1067002212 /nfs/dbraw/zinc/00/22/12/1067002212.db2.gz RQTHPAVJGNMLRK-UHFFFAOYSA-N 1 1 460.365 4.224 20 0 JIADMO C[C@H](NC(=O)C[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1)c1ccc(Br)cc1 ZINC001318339479 1067023645 /nfs/dbraw/zinc/02/36/45/1067023645.db2.gz XIIAQTFJAPGFQN-NYHFZMIOSA-N 1 1 456.384 4.074 20 0 JIADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)C[C@H](C)O1 ZINC001318364482 1067032417 /nfs/dbraw/zinc/03/24/17/1067032417.db2.gz PDJIOLIXOBJVHN-JQVVWYNYSA-N 1 1 454.590 4.129 20 0 JIADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)C[C@H](C)O1 ZINC001318364482 1067032431 /nfs/dbraw/zinc/03/24/31/1067032431.db2.gz PDJIOLIXOBJVHN-JQVVWYNYSA-N 1 1 454.590 4.129 20 0 JIADMO C[N@@H+](CCN(Cc1ccccc1)C(=O)c1cccn(CC(F)(F)F)c1=O)Cc1ccccc1 ZINC001354676095 1067036880 /nfs/dbraw/zinc/03/68/80/1067036880.db2.gz PVBDQFLIPQYPGX-UHFFFAOYSA-N 1 1 457.496 4.185 20 0 JIADMO COc1ccncc1Cn1c(-c2ccccc2F)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300693153 1067043266 /nfs/dbraw/zinc/04/32/66/1067043266.db2.gz PHALTCRSABXANE-UHFFFAOYSA-N 1 1 452.578 4.093 20 0 JIADMO CC(C)(C)OC(=O)N1Cc2ccc(C(=O)Nc3ccc(CC[NH+]4CCOCC4)cc3)cc2C1 ZINC001351204098 1067059218 /nfs/dbraw/zinc/05/92/18/1067059218.db2.gz LIWBKEQCXRBFGV-UHFFFAOYSA-N 1 1 451.567 4.064 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1F ZINC001319941185 1067082843 /nfs/dbraw/zinc/08/28/43/1067082843.db2.gz RGMJONGRTMMRNV-HSZRJFAPSA-N 1 1 458.541 4.441 20 0 JIADMO Cc1c(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001351371233 1067085970 /nfs/dbraw/zinc/08/59/70/1067085970.db2.gz OZKVQBPGTSMOQF-UHFFFAOYSA-N 1 1 459.472 4.065 20 0 JIADMO Cc1nc2ccc(Br)cn2c1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001354797376 1067111755 /nfs/dbraw/zinc/11/17/55/1067111755.db2.gz MHAWKHYWRORMKC-GJZGRUSLSA-N 1 1 457.372 4.267 20 0 JIADMO Cc1nc2ccc(Br)cn2c1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001354797375 1067111909 /nfs/dbraw/zinc/11/19/09/1067111909.db2.gz MHAWKHYWRORMKC-GASCZTMLSA-N 1 1 457.372 4.267 20 0 JIADMO Cc1nc2ccc(Br)cn2c1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001354797375 1067111927 /nfs/dbraw/zinc/11/19/27/1067111927.db2.gz MHAWKHYWRORMKC-GASCZTMLSA-N 1 1 457.372 4.267 20 0 JIADMO CC(C)[C@H](NC(=O)C[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1)c1ccc2c(c1)OCCCO2 ZINC001321428288 1067126339 /nfs/dbraw/zinc/12/63/39/1067126339.db2.gz ZXLUZELWTLQYHP-SVBPBHIXSA-N 1 1 477.605 4.109 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC001321488068 1067144947 /nfs/dbraw/zinc/14/49/47/1067144947.db2.gz LHIGVUVVMWGAQT-UHFFFAOYSA-N 1 1 481.622 4.022 20 0 JIADMO C[N@@H+](CCOc1cccc(CNc2ccccc2S(=O)(=O)C(F)(F)F)c1)C1CCOCC1 ZINC001321507291 1067149949 /nfs/dbraw/zinc/14/99/49/1067149949.db2.gz UUDJOUGIQSRUBN-UHFFFAOYSA-N 1 1 472.529 4.082 20 0 JIADMO COc1ccc(Br)cc1NC(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC001321513957 1067153687 /nfs/dbraw/zinc/15/36/87/1067153687.db2.gz XEAVYJJDXRFHCL-UHFFFAOYSA-N 1 1 492.414 4.269 20 0 JIADMO Cc1ccc(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1NC(=O)C[NH+]1CCCCC1 ZINC001351739397 1067185675 /nfs/dbraw/zinc/18/56/75/1067185675.db2.gz RTRBAZFICGVWBT-OAQYLSRUSA-N 1 1 458.603 4.003 20 0 JIADMO Cc1ccc(NC(=O)CCc2ccc3c(c2)OC(F)(F)O3)cc1NC(=O)C[NH+]1CCCCC1 ZINC001351739607 1067186817 /nfs/dbraw/zinc/18/68/17/1067186817.db2.gz XASADXYYRXAKCQ-UHFFFAOYSA-N 1 1 459.493 4.312 20 0 JIADMO CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001351775356 1067201727 /nfs/dbraw/zinc/20/17/27/1067201727.db2.gz FZXWKBPPCFKSDW-FQEVSTJZSA-N 1 1 455.565 4.317 20 0 JIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC001321827719 1067215065 /nfs/dbraw/zinc/21/50/65/1067215065.db2.gz GXGVGSLCGLWJNO-NRFANRHFSA-N 1 1 488.632 4.279 20 0 JIADMO CC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC001321846455 1067218391 /nfs/dbraw/zinc/21/83/91/1067218391.db2.gz ZTBLKJOSQXGKCL-AREMUKBSSA-N 1 1 492.664 4.365 20 0 JIADMO Fc1cc(Br)cc(Br)c1NC(=S)N[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001200804938 1067222228 /nfs/dbraw/zinc/22/22/28/1067222228.db2.gz LTZAWOSSLNLXBE-CYBMUJFWSA-N 1 1 488.224 4.307 20 0 JIADMO Fc1cc(Br)cc(Br)c1NC(=S)N[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001200804938 1067222249 /nfs/dbraw/zinc/22/22/49/1067222249.db2.gz LTZAWOSSLNLXBE-CYBMUJFWSA-N 1 1 488.224 4.307 20 0 JIADMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1 ZINC001351866180 1067228075 /nfs/dbraw/zinc/22/80/75/1067228075.db2.gz UJMAUCCZLXHBCE-QHCPKHFHSA-N 1 1 457.977 4.127 20 0 JIADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cnn(C(C)(C)C)c3-c3ccccc3)cc2)CC1 ZINC001351896689 1067236128 /nfs/dbraw/zinc/23/61/28/1067236128.db2.gz WRKSVNSBIRUFLA-UHFFFAOYSA-N 1 1 459.594 4.335 20 0 JIADMO Cc1cc(NC(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)ccc1N1CCCC1=O ZINC001322021426 1067240776 /nfs/dbraw/zinc/24/07/76/1067240776.db2.gz MXFCUKRKZXVCTL-UHFFFAOYSA-N 1 1 470.017 4.109 20 0 JIADMO CO[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300744477 1067244594 /nfs/dbraw/zinc/24/45/94/1067244594.db2.gz IISSKIDLXSHCNT-LADGPHEKSA-N 1 1 455.647 4.210 20 0 JIADMO CO[C@H]1CCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300744478 1067244983 /nfs/dbraw/zinc/24/49/83/1067244983.db2.gz IISSKIDLXSHCNT-UPVQGACJSA-N 1 1 455.647 4.210 20 0 JIADMO CO[C@H]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300744818 1067246234 /nfs/dbraw/zinc/24/62/34/1067246234.db2.gz KIFHJYIFHMXSSI-GMAHTHKFSA-N 1 1 455.647 4.025 20 0 JIADMO C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001322404904 1067287104 /nfs/dbraw/zinc/28/71/04/1067287104.db2.gz SEGXYKCSDYASBA-INIZCTEOSA-N 1 1 469.586 4.387 20 0 JIADMO CO[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001300758178 1067290392 /nfs/dbraw/zinc/29/03/92/1067290392.db2.gz AVLKQKWQZLPKFV-QFIPXVFZSA-N 1 1 469.033 4.497 20 0 JIADMO CO[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001300758445 1067291162 /nfs/dbraw/zinc/29/11/62/1067291162.db2.gz SOQFURKXWKTNNA-HKUYNNGSSA-N 1 1 479.467 4.306 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001300771575 1067320024 /nfs/dbraw/zinc/32/00/24/1067320024.db2.gz COZXNPRRHJQBDK-CNNODRBYSA-N 1 1 462.038 4.246 20 0 JIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)c1 ZINC001355013486 1067336184 /nfs/dbraw/zinc/33/61/84/1067336184.db2.gz PYYHAXDPTLJFLP-VNZMSGEBSA-N 1 1 453.558 4.367 20 0 JIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)c1 ZINC001355013486 1067336195 /nfs/dbraw/zinc/33/61/95/1067336195.db2.gz PYYHAXDPTLJFLP-VNZMSGEBSA-N 1 1 453.558 4.367 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC(F)(F)F)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c(OC)c1 ZINC001300000508 1067336967 /nfs/dbraw/zinc/33/69/67/1067336967.db2.gz GKQCOMCBIYGHSX-KRWDZBQOSA-N 1 1 469.552 4.329 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001300785041 1067345427 /nfs/dbraw/zinc/34/54/27/1067345427.db2.gz ODUZEPKMYOEPPK-VQIMIIECSA-N 1 1 450.052 4.322 20 0 JIADMO C[N@H+](CCOc1cccc(CNCc2cccc(Br)c2F)c1)C1CCOCC1 ZINC001200009302 1067354645 /nfs/dbraw/zinc/35/46/45/1067354645.db2.gz BIXQXPYWGVCNSJ-UHFFFAOYSA-N 1 1 451.380 4.368 20 0 JIADMO C[N@@H+](CCOc1cccc(CNCc2cccc(Br)c2F)c1)C1CCOCC1 ZINC001200009302 1067354658 /nfs/dbraw/zinc/35/46/58/1067354658.db2.gz BIXQXPYWGVCNSJ-UHFFFAOYSA-N 1 1 451.380 4.368 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3nccs3)n2CC[N@H+]2CCCC(C)(C)C2)cc1OC ZINC001300006537 1067355496 /nfs/dbraw/zinc/35/54/96/1067355496.db2.gz QEOYCJNUHDXFJB-UHFFFAOYSA-N 1 1 470.643 4.177 20 0 JIADMO C[C@H](CNC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)[N@H+]1CCCC[C@H]1C ZINC001200851981 1067357247 /nfs/dbraw/zinc/35/72/47/1067357247.db2.gz RFUUNFPCNPHGFQ-RTBURBONSA-N 1 1 450.649 4.024 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](SC)C(C)(C)C)cc1 ZINC001300013754 1067369457 /nfs/dbraw/zinc/36/94/57/1067369457.db2.gz SKSXXKBDFDYCOL-XQBPLPMBSA-N 1 1 475.703 4.277 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](SC)C(C)(C)C)cc1 ZINC001300013754 1067369469 /nfs/dbraw/zinc/36/94/69/1067369469.db2.gz SKSXXKBDFDYCOL-XQBPLPMBSA-N 1 1 475.703 4.277 20 0 JIADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H](F)c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC001355085723 1067371727 /nfs/dbraw/zinc/37/17/27/1067371727.db2.gz XETIORPCAUCPDP-NRFANRHFSA-N 1 1 451.464 4.061 20 0 JIADMO COc1ccc(-c2nnc(N(C)CCn3cccn3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300015183 1067372647 /nfs/dbraw/zinc/37/26/47/1067372647.db2.gz MKOJCEGQYARDIP-OYRHEFFESA-N 1 1 495.672 4.052 20 0 JIADMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001352421636 1067384218 /nfs/dbraw/zinc/38/42/18/1067384218.db2.gz GGGXZBRSDBMOLO-FGZHOGPDSA-N 1 1 462.619 4.018 20 0 JIADMO CC[C@@H](C)NC(=O)c1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001355178743 1067385459 /nfs/dbraw/zinc/38/54/59/1067385459.db2.gz JWDMDBGRBAEPHA-COFKYPDJSA-N 1 1 470.617 4.142 20 0 JIADMO CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC001355184772 1067385911 /nfs/dbraw/zinc/38/59/11/1067385911.db2.gz PTVTVLIHCSLZNT-UHFFFAOYSA-N 1 1 458.002 4.129 20 0 JIADMO COc1ccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1OC ZINC001300028866 1067408826 /nfs/dbraw/zinc/40/88/26/1067408826.db2.gz DINXNOVKVGQNJD-HSZRJFAPSA-N 1 1 498.716 4.108 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2CC[N@@H+](C)C(C)C)cc1OC ZINC001300033315 1067431882 /nfs/dbraw/zinc/43/18/82/1067431882.db2.gz MTYOAKXPFNDRBP-UHFFFAOYSA-N 1 1 478.435 4.182 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCCN2CCCCCC2=O)cc1 ZINC001300040003 1067457084 /nfs/dbraw/zinc/45/70/84/1067457084.db2.gz AAABXMDWZRNCFF-UHFFFAOYSA-N 1 1 496.700 4.303 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)n2C[C@H](C)OC)cc1 ZINC001300040228 1067460891 /nfs/dbraw/zinc/46/08/91/1067460891.db2.gz IVHXJNMUXCRJIS-RTWAWAEBSA-N 1 1 455.647 4.470 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC001300048553 1067503373 /nfs/dbraw/zinc/50/33/73/1067503373.db2.gz BJZGBGSLDIGZEN-JTHBVZDNSA-N 1 1 485.673 4.336 20 0 JIADMO CCCCc1nc(-c2cccc(OC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)no1 ZINC001355542853 1067504003 /nfs/dbraw/zinc/50/40/03/1067504003.db2.gz BCOGQDPVTZMFHS-YADHBBJMSA-N 1 1 451.571 4.232 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1OC ZINC001300048581 1067504005 /nfs/dbraw/zinc/50/40/05/1067504005.db2.gz BSOIRMAIUKQTNN-DEOSSOPVSA-N 1 1 498.716 4.108 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2CCC[N@@H+](C)C(C)C)cc1Br ZINC001300051144 1067512869 /nfs/dbraw/zinc/51/28/69/1067512869.db2.gz CPDBJZNMBNYRID-HSZRJFAPSA-N 1 1 494.478 4.452 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CCCCn2cc[nH+]c2C)cc1OC ZINC001300051458 1067516004 /nfs/dbraw/zinc/51/60/04/1067516004.db2.gz HPEFXUZDVXMWFF-SANMLTNESA-N 1 1 482.629 4.343 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1Br ZINC001300051730 1067517770 /nfs/dbraw/zinc/51/77/70/1067517770.db2.gz OAZOVJKTSKANNQ-QMHKHESXSA-N 1 1 492.462 4.204 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)n2CC(C)(C)OC)cc1 ZINC001300052900 1067525406 /nfs/dbraw/zinc/52/54/06/1067525406.db2.gz FLSZLFMCWBWJHI-NHCUHLMSSA-N 1 1 455.647 4.470 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H](c4nc(C)cs4)C3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001300054273 1067531315 /nfs/dbraw/zinc/53/13/15/1067531315.db2.gz RWJVUDJYLCKNRT-HXUWFJFHSA-N 1 1 454.644 4.443 20 0 JIADMO COc1ccc(CCNC(=S)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc1OC ZINC001200077333 1067543838 /nfs/dbraw/zinc/54/38/38/1067543838.db2.gz PTMBCXBPLNGSKE-VWLOTQADSA-N 1 1 457.615 4.000 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@H]3CSC)n2CCn2cc[nH+]c2C)cc1Br ZINC001300058546 1067550565 /nfs/dbraw/zinc/55/05/65/1067550565.db2.gz DRWSHWOMLQZHHE-KRWDZBQOSA-N 1 1 491.459 4.253 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)c1 ZINC001355715741 1067560534 /nfs/dbraw/zinc/56/05/34/1067560534.db2.gz WOFWOFLLVBRYQU-GOSISDBHSA-N 1 1 458.440 4.062 20 0 JIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)c1 ZINC001355715741 1067560563 /nfs/dbraw/zinc/56/05/63/1067560563.db2.gz WOFWOFLLVBRYQU-GOSISDBHSA-N 1 1 458.440 4.062 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H]2CCO[C@H]2C(C)C)cc1 ZINC001300061663 1067566289 /nfs/dbraw/zinc/56/62/89/1067566289.db2.gz MIAMHWSAKXTQMN-GMAHTHKFSA-N 1 1 455.647 4.325 20 0 JIADMO COc1ccc(CCNC(=S)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1OC ZINC001200091363 1067590986 /nfs/dbraw/zinc/59/09/86/1067590986.db2.gz LSRVOEKSRMFXCV-UHFFFAOYSA-N 1 1 492.483 4.138 20 0 JIADMO COc1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1OCc1ccc(Cl)cc1Cl ZINC001355872918 1067595725 /nfs/dbraw/zinc/59/57/25/1067595725.db2.gz WHLIUVIVEGBITA-SPLOXXLWSA-N 1 1 453.366 4.030 20 0 JIADMO COc1cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1OCc1ccc(Cl)cc1Cl ZINC001355872918 1067595736 /nfs/dbraw/zinc/59/57/36/1067595736.db2.gz WHLIUVIVEGBITA-SPLOXXLWSA-N 1 1 453.366 4.030 20 0 JIADMO COCCOC(=O)Nc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)c1 ZINC001355902338 1067604017 /nfs/dbraw/zinc/60/40/17/1067604017.db2.gz CFDJPWKQFKTRBI-FGZHOGPDSA-N 1 1 480.590 4.192 20 0 JIADMO C[N@@H+](CCCNC(=O)Cc1ccc(Br)c(Br)c1)Cc1ccccc1 ZINC001355907562 1067605740 /nfs/dbraw/zinc/60/57/40/1067605740.db2.gz UVQFIHKNPNUJIX-UHFFFAOYSA-N 1 1 454.206 4.392 20 0 JIADMO COc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300076922 1067605895 /nfs/dbraw/zinc/60/58/95/1067605895.db2.gz JJAOGMNLVLUIMJ-GBXCKJPGSA-N 1 1 485.673 4.334 20 0 JIADMO COc1ccc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001300077763 1067608960 /nfs/dbraw/zinc/60/89/60/1067608960.db2.gz ZXPDOIZNWQVPID-NFBKMPQASA-N 1 1 455.647 4.470 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CCN(S(=O)(=O)c1ccc(Cl)c3ccccc31)CC2 ZINC001200107003 1067632744 /nfs/dbraw/zinc/63/27/44/1067632744.db2.gz CGPGOMUJJOEMKR-FQEVSTJZSA-N 1 1 486.037 4.332 20 0 JIADMO 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 1067637615 /nfs/dbraw/zinc/63/76/15/1067637615.db2.gz KLQMAMKBCRUDHK-IKAXQFJBSA-N 1 1 477.649 4.101 20 0 JIADMO COc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1Br ZINC001300090909 1067647938 /nfs/dbraw/zinc/64/79/38/1067647938.db2.gz ZOMHOTCEDBRXCU-SJORKVTESA-N 1 1 494.503 4.390 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc1Br ZINC001300092314 1067650950 /nfs/dbraw/zinc/65/09/50/1067650950.db2.gz PIBWYBIKBOBWAS-OKZBNKHCSA-N 1 1 492.462 4.062 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1Br ZINC001300092313 1067650976 /nfs/dbraw/zinc/65/09/76/1067650976.db2.gz PIBWYBIKBOBWAS-KURKYZTESA-N 1 1 492.462 4.062 20 0 JIADMO COc1ccc(C2CCN(c3nnc(C(C)C)n3CC3CCN(CC[NH+](C)C)CC3)CC2)cc1 ZINC001300095224 1067658001 /nfs/dbraw/zinc/65/80/01/1067658001.db2.gz BIIUGBQNOUVWDQ-UHFFFAOYSA-N 1 1 468.690 4.068 20 0 JIADMO 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 1067660739 /nfs/dbraw/zinc/66/07/39/1067660739.db2.gz KFAZISXHWLCRLS-VWPQPMDRSA-N 1 1 469.674 4.466 20 0 JIADMO COc1ccc([C@@H]2CCCN2c2nnc([C@@H]3CCCCO3)n2CC[N@@H+](C)C(C)C)c(OC)c1 ZINC001300097401 1067663806 /nfs/dbraw/zinc/66/38/06/1067663806.db2.gz BIVKRXJMCSWIQK-VXKWHMMOSA-N 1 1 457.619 4.219 20 0 JIADMO COc1ccc([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)C2)cc1 ZINC001300099577 1067671641 /nfs/dbraw/zinc/67/16/41/1067671641.db2.gz HYQWRUAUXFTYMB-GGAORHGYSA-N 1 1 469.674 4.370 20 0 JIADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC001356150444 1067673629 /nfs/dbraw/zinc/67/36/29/1067673629.db2.gz XKFDERSRDPZVOX-YIXXDRMTSA-N 1 1 465.638 4.291 20 0 JIADMO COc1ccc(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001300107179 1067697863 /nfs/dbraw/zinc/69/78/63/1067697863.db2.gz GRPDPMIEPYSBRU-QPPBQGQZSA-N 1 1 469.674 4.055 20 0 JIADMO CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001352757549 1067705695 /nfs/dbraw/zinc/70/56/95/1067705695.db2.gz QLFVHIDWILAWQG-UXHICEINSA-N 1 1 452.064 4.148 20 0 JIADMO CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001352757549 1067705713 /nfs/dbraw/zinc/70/57/13/1067705713.db2.gz QLFVHIDWILAWQG-UXHICEINSA-N 1 1 452.064 4.148 20 0 JIADMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001352757447 1067705884 /nfs/dbraw/zinc/70/58/84/1067705884.db2.gz PINPXMGHCOUIPN-DEOSSOPVSA-N 1 1 454.014 4.363 20 0 JIADMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001352757447 1067705899 /nfs/dbraw/zinc/70/58/99/1067705899.db2.gz PINPXMGHCOUIPN-DEOSSOPVSA-N 1 1 454.014 4.363 20 0 JIADMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001352757825 1067706496 /nfs/dbraw/zinc/70/64/96/1067706496.db2.gz UGBWRDDEWCTGBG-DNQXCXABSA-N 1 1 459.993 4.023 20 0 JIADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001352757825 1067706507 /nfs/dbraw/zinc/70/65/07/1067706507.db2.gz UGBWRDDEWCTGBG-DNQXCXABSA-N 1 1 459.993 4.023 20 0 JIADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3cnn(C4CCCCC4)c3C)CC2)c1C ZINC001352780110 1067715796 /nfs/dbraw/zinc/71/57/96/1067715796.db2.gz ISCZDNMEJRHNTH-UHFFFAOYSA-N 1 1 453.631 4.454 20 0 JIADMO COc1ccc(CCc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2Cc2cscc2C)cc1 ZINC001300114278 1067721430 /nfs/dbraw/zinc/72/14/30/1067721430.db2.gz LUOZTQSBVRNHIF-UHFFFAOYSA-N 1 1 483.682 4.037 20 0 JIADMO COc1ccc(CCc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2Cc2cscc2C)cc1 ZINC001300114278 1067721444 /nfs/dbraw/zinc/72/14/44/1067721444.db2.gz LUOZTQSBVRNHIF-UHFFFAOYSA-N 1 1 483.682 4.037 20 0 JIADMO C[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001200135681 1067726148 /nfs/dbraw/zinc/72/61/48/1067726148.db2.gz FIFAQPUAUQRUJH-INIZCTEOSA-N 1 1 454.468 4.347 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC(Cl)=C(Cl)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC001300118597 1067731281 /nfs/dbraw/zinc/73/12/81/1067731281.db2.gz BVEIXODIVXIJNA-MRXNPFEDSA-N 1 1 464.441 4.454 20 0 JIADMO C[C@@H]1CN(C(=O)c2c(F)cccc2I)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001356358865 1067734731 /nfs/dbraw/zinc/73/47/31/1067734731.db2.gz ZKAKQKDUNYSDMY-CABCVRRESA-N 1 1 452.311 4.165 20 0 JIADMO C[C@@H]1CN(C(=O)c2c(F)cccc2I)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001356358865 1067734741 /nfs/dbraw/zinc/73/47/41/1067734741.db2.gz ZKAKQKDUNYSDMY-CABCVRRESA-N 1 1 452.311 4.165 20 0 JIADMO CCn1c(SCC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)nnc1-c1cccs1 ZINC001356356649 1067734795 /nfs/dbraw/zinc/73/47/95/1067734795.db2.gz UDHFAMIBRFKWAZ-ZWKOTPCHSA-N 1 1 455.653 4.240 20 0 JIADMO CCn1c(SCC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)nnc1-c1cccs1 ZINC001356356649 1067734806 /nfs/dbraw/zinc/73/48/06/1067734806.db2.gz UDHFAMIBRFKWAZ-ZWKOTPCHSA-N 1 1 455.653 4.240 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC[C@](C)(OC)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001300120029 1067735328 /nfs/dbraw/zinc/73/53/28/1067735328.db2.gz DIPBKUBRIFMPBV-HOFKKMOUSA-N 1 1 469.674 4.198 20 0 JIADMO 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CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)c2cc(C)ccc2S(N)(=O)=O)cc1 ZINC001300145635 1067799548 /nfs/dbraw/zinc/79/95/48/1067799548.db2.gz ZBAMOHRFQFACGL-UHFFFAOYSA-N 1 1 451.592 4.307 20 0 JIADMO Cc1cc(NC(=O)[C@H](C)SCC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)no1 ZINC000484660460 1067804305 /nfs/dbraw/zinc/80/43/05/1067804305.db2.gz XWCAOBGNXDKWAP-FXAWDEMLSA-N 1 1 484.647 4.021 20 0 JIADMO Cc1cc(NC(=O)[C@H](C)SCC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)no1 ZINC000484660460 1067804309 /nfs/dbraw/zinc/80/43/09/1067804309.db2.gz XWCAOBGNXDKWAP-FXAWDEMLSA-N 1 1 484.647 4.021 20 0 JIADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)cc2)CC1 ZINC001357176744 1067814591 /nfs/dbraw/zinc/81/45/91/1067814591.db2.gz UZXLGQQSXUVASY-HXUWFJFHSA-N 1 1 453.652 4.468 20 0 JIADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)C[C@H](C)O1 ZINC001357219333 1067820294 /nfs/dbraw/zinc/82/02/94/1067820294.db2.gz GWRYYHMPRUFITK-GJZGRUSLSA-N 1 1 451.583 4.370 20 0 JIADMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1ccc(SC(F)(F)F)nc1 ZINC001357283745 1067830487 /nfs/dbraw/zinc/83/04/87/1067830487.db2.gz DXVCSLUWSIEALK-UHFFFAOYSA-N 1 1 450.486 4.233 20 0 JIADMO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001300172495 1067831949 /nfs/dbraw/zinc/83/19/49/1067831949.db2.gz JJGHVQCLBNQYLH-JOCHJYFZSA-N 1 1 457.663 4.177 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cc3ccncc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC001300176002 1067835180 /nfs/dbraw/zinc/83/51/80/1067835180.db2.gz GJNWFMYINZZZHJ-OYRHEFFESA-N 1 1 480.632 4.416 20 0 JIADMO C[C@H](C[NH2+]Cc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1)CN1CCN(C)CC1 ZINC001200203957 1067839375 /nfs/dbraw/zinc/83/93/75/1067839375.db2.gz LIYFXLUPKRALBI-HXUWFJFHSA-N 1 1 453.631 4.069 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1F ZINC001300180293 1067843164 /nfs/dbraw/zinc/84/31/64/1067843164.db2.gz LPINWNNFWNBQFB-QHCPKHFHSA-N 1 1 483.636 4.044 20 0 JIADMO COc1ccc(CN(c2nnc(C(C)(C)C)n2CC2CCN(CC[NH+](C)C)CC2)C2CC2)cc1 ZINC001300181211 1067844144 /nfs/dbraw/zinc/84/41/44/1067844144.db2.gz AIOOSRUZWUJXRE-UHFFFAOYSA-N 1 1 468.690 4.027 20 0 JIADMO O=C(CSc1nnc(NCC(F)(F)F)s1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000489305776 1067844457 /nfs/dbraw/zinc/84/44/57/1067844457.db2.gz OKBRIMOUWDELPI-CQSZACIVSA-N 1 1 479.981 4.211 20 0 JIADMO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357411603 1067845824 /nfs/dbraw/zinc/84/58/24/1067845824.db2.gz SDBAIMCVKCOBFQ-FQEVSTJZSA-N 1 1 457.412 4.136 20 0 JIADMO C[C@H](c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1)[NH+]1CCOCC1 ZINC001353057306 1067847935 /nfs/dbraw/zinc/84/79/35/1067847935.db2.gz VBEHLEMLAOHSRS-BIFSNJIPSA-N 1 1 459.949 4.030 20 0 JIADMO COc1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC[N@H+](C(C)C)CC2)cc1OC(F)F ZINC001300194442 1067860703 /nfs/dbraw/zinc/86/07/03/1067860703.db2.gz VVAQYRLALCCHNH-UHFFFAOYSA-N 1 1 475.540 4.425 20 0 JIADMO Cc1cc(Br)cc(C)c1NC(=S)N1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001200221303 1067862126 /nfs/dbraw/zinc/86/21/26/1067862126.db2.gz CZVZLQBDGZPPNE-UHFFFAOYSA-N 1 1 462.461 4.461 20 0 JIADMO CCCN(C(=O)[C@H](CCS(C)(=O)=O)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357512926 1067862498 /nfs/dbraw/zinc/86/24/98/1067862498.db2.gz ZOBMLGYCJFKRHB-LOSJGSFVSA-N 1 1 456.652 4.108 20 0 JIADMO CCCN(C(=O)[C@H](CCS(C)(=O)=O)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357512926 1067862500 /nfs/dbraw/zinc/86/25/00/1067862500.db2.gz ZOBMLGYCJFKRHB-LOSJGSFVSA-N 1 1 456.652 4.108 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)Cc2cc(Cl)ccn2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001492557794 1067872676 /nfs/dbraw/zinc/87/26/76/1067872676.db2.gz XKPNETXOGFTYOD-JOCHJYFZSA-N 1 1 469.033 4.295 20 0 JIADMO COc1cccc(N(CC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C(=O)OC(C)(C)C)c1 ZINC001300206127 1067878206 /nfs/dbraw/zinc/87/82/06/1067878206.db2.gz DLCRQQPMXGCJPP-SANMLTNESA-N 1 1 453.583 4.218 20 0 JIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC001357630829 1067879596 /nfs/dbraw/zinc/87/95/96/1067879596.db2.gz KKHGGEUZKUSYBI-PXNSSMCTSA-N 1 1 453.384 4.259 20 0 JIADMO COC(=O)[C@@]1(NC(=S)Nc2c(C)cc(Br)cc2C)CC[N@@H+](Cc2ccccc2)C1 ZINC001200239213 1067881741 /nfs/dbraw/zinc/88/17/41/1067881741.db2.gz VLIHSDYORRWXDJ-JOCHJYFZSA-N 1 1 476.440 4.170 20 0 JIADMO COc1ccc(-c2cncc(C(=O)Nc3ccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)cc3)c2)c(C)c1 ZINC001357644082 1067881832 /nfs/dbraw/zinc/88/18/32/1067881832.db2.gz FSVCHWHVWZRNAW-HXUWFJFHSA-N 1 1 458.562 4.015 20 0 JIADMO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC[N@H+](C3CCCC3)CC2)c(OC)c1 ZINC001300213903 1067884269 /nfs/dbraw/zinc/88/42/69/1067884269.db2.gz YRPGJIHQTPLAEW-UHFFFAOYSA-N 1 1 455.647 4.387 20 0 JIADMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(I)cc3)C[C@@H]21 ZINC001473302222 1067886237 /nfs/dbraw/zinc/88/62/37/1067886237.db2.gz MMUCNDZLNJGCRA-RYQLBKOJSA-N 1 1 456.368 4.416 20 0 JIADMO C[C@@H](NC(=O)c1cc(F)ccc1I)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357780032 1067898595 /nfs/dbraw/zinc/89/85/95/1067898595.db2.gz JBZGGCYPNFRNEA-GDBMZVCRSA-N 1 1 452.311 4.071 20 0 JIADMO C[C@@H](CNC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[N@@H+]1CCc2sccc2C1 ZINC001357780928 1067898907 /nfs/dbraw/zinc/89/89/07/1067898907.db2.gz WOEXWBHLIHKSSK-KSFYIVLOSA-N 1 1 452.542 4.279 20 0 JIADMO C[C@@H](CNC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[N@H+]1CCc2sccc2C1 ZINC001357780928 1067898909 /nfs/dbraw/zinc/89/89/09/1067898909.db2.gz WOEXWBHLIHKSSK-KSFYIVLOSA-N 1 1 452.542 4.279 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc(-c2cccc(C)n2)n1CC[N@H+]1CCC[C@H]1C ZINC001300237837 1067935211 /nfs/dbraw/zinc/93/52/11/1067935211.db2.gz QDYFPUYLKINNKL-GOSISDBHSA-N 1 1 455.006 4.431 20 0 JIADMO CCCN(C(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357960732 1067960145 /nfs/dbraw/zinc/96/01/45/1067960145.db2.gz YLBTZJUMEQCNBF-DHLKQENFSA-N 1 1 457.565 4.435 20 0 JIADMO 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466.605 4.495 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)[C@H](c2cnn(C)c2)C1 ZINC000849509633 1069092364 /nfs/dbraw/zinc/09/23/64/1069092364.db2.gz MCUPZYNDFOIPJP-VXKWHMMOSA-N 1 1 474.584 4.479 20 0 JIADMO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)[C@H](c2cnn(C)c2)C1 ZINC000849509633 1069092380 /nfs/dbraw/zinc/09/23/80/1069092380.db2.gz MCUPZYNDFOIPJP-VXKWHMMOSA-N 1 1 474.584 4.479 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)[C@H](c2cnn(C)c2)C1 ZINC000849509633 1069092395 /nfs/dbraw/zinc/09/23/95/1069092395.db2.gz MCUPZYNDFOIPJP-VXKWHMMOSA-N 1 1 474.584 4.479 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849513176 1069096872 /nfs/dbraw/zinc/09/68/72/1069096872.db2.gz AOLXCRBHSKYGII-BJKOFHAPSA-N 1 1 462.642 4.415 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849513218 1069097075 /nfs/dbraw/zinc/09/70/75/1069097075.db2.gz 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CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849520680 1069113394 /nfs/dbraw/zinc/11/33/94/1069113394.db2.gz YMDDKTAHGBRYMF-RPWUZVMVSA-N 1 1 466.630 4.281 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849522068 1069114072 /nfs/dbraw/zinc/11/40/72/1069114072.db2.gz JGQDFEUQUYFTGN-BJKOFHAPSA-N 1 1 460.578 4.196 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)[C@H](c2cnn(C)c2)C1 ZINC000849522374 1069114459 /nfs/dbraw/zinc/11/44/59/1069114459.db2.gz KUIPOBDMMFKVFQ-NSVAZKTRSA-N 1 1 472.633 4.465 20 0 JIADMO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849522895 1069115875 /nfs/dbraw/zinc/11/58/75/1069115875.db2.gz PWEAMIHLXRHJBS-KPOBHBOGSA-N 1 1 458.031 4.418 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCSC[C@@H]2C)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001300580959 1069116349 /nfs/dbraw/zinc/11/63/49/1069116349.db2.gz WBWLUOXQFPDPSU-PMACEKPBSA-N 1 1 457.688 4.330 20 0 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4.261 20 0 JIADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000849537517 1069161679 /nfs/dbraw/zinc/16/16/79/1069161679.db2.gz UEMKKSAXEDOLJF-SGNDLWITSA-N 1 1 452.002 4.142 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc(-c3cc(Br)cs3)cs2)cn1 ZINC000849543160 1069175184 /nfs/dbraw/zinc/17/51/84/1069175184.db2.gz LISPMQNYPPCNJA-ZIAGYGMSSA-N 1 1 466.430 4.042 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849546411 1069181048 /nfs/dbraw/zinc/18/10/48/1069181048.db2.gz ANKNWJJTAHWNLJ-JQASONJCSA-N 1 1 470.683 4.454 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849547137 1069182746 /nfs/dbraw/zinc/18/27/46/1069182746.db2.gz FQCBFLITDHDFOC-DVIHYUSWSA-N 1 1 464.635 4.181 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849547142 1069182824 /nfs/dbraw/zinc/18/28/24/1069182824.db2.gz FQCBFLITDHDFOC-UTKFAANNSA-N 1 1 464.635 4.181 20 0 JIADMO COc1ccccc1CN(C[C@H]1CCCO1)c1nnc(CC(C)(C)C)n1CC[N@@H+]1CC=CCC1 ZINC001300599294 1069183354 /nfs/dbraw/zinc/18/33/54/1069183354.db2.gz HCGOHKFROHJSIO-HSZRJFAPSA-N 1 1 467.658 4.323 20 0 JIADMO CN(C(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c1)c1ccccc1 ZINC000849550135 1069189370 /nfs/dbraw/zinc/18/93/70/1069189370.db2.gz CJMMYHVBAFUQIR-NHCUHLMSSA-N 1 1 465.985 4.024 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)cn1 ZINC000849554235 1069197159 /nfs/dbraw/zinc/19/71/59/1069197159.db2.gz VJMCPECYVWJFPH-VXKWHMMOSA-N 1 1 473.459 4.236 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c2ccccc2Cl)cc1 ZINC000849555504 1069199958 /nfs/dbraw/zinc/19/99/58/1069199958.db2.gz ZHCAUIOCJRGEIK-FJIJXJHWSA-N 1 1 452.986 4.023 20 0 JIADMO COc1cccc([C@H](NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2cc(F)ccc2OC)c1 ZINC000849556950 1069203683 /nfs/dbraw/zinc/20/36/83/1069203683.db2.gz DQSKHYATRJOVFR-RELGLDOUSA-N 1 1 494.611 4.296 20 0 JIADMO 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 1069204745 /nfs/dbraw/zinc/20/47/45/1069204745.db2.gz DWPIEIMQJSUDSD-QRQLOZEOSA-N 1 1 475.431 4.119 20 0 JIADMO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)Oc1ccccc1C(F)(F)F ZINC000849557891 1069205544 /nfs/dbraw/zinc/20/55/44/1069205544.db2.gz JZGURNXDDYBUOC-AQNXPRMDSA-N 1 1 466.548 4.227 20 0 JIADMO CC(C)Oc1cc(Br)cc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849559749 1069208563 /nfs/dbraw/zinc/20/85/63/1069208563.db2.gz WIDNGUAVNPWDRT-NHCUHLMSSA-N 1 1 463.420 4.422 20 0 JIADMO CC(C)Oc1cc(Br)cc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849559752 1069209345 /nfs/dbraw/zinc/20/93/45/1069209345.db2.gz WIDNGUAVNPWDRT-SFTDATJTSA-N 1 1 463.420 4.422 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849562361 1069210229 /nfs/dbraw/zinc/21/02/29/1069210229.db2.gz NLJOOVXBNOZYLC-SJORKVTESA-N 1 1 475.367 4.459 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Cl)cc2I)[C@@H](c2cnn(C)c2)C1 ZINC000849565472 1069214218 /nfs/dbraw/zinc/21/42/18/1069214218.db2.gz WEMYVNDTMSLHDJ-JKSUJKDBSA-N 1 1 486.785 4.131 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC(Cc2ccccc2F)Cc2ccccc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849565353 1069215658 /nfs/dbraw/zinc/21/56/58/1069215658.db2.gz SVWJTXSHKZUQDB-LOSJGSFVSA-N 1 1 480.603 4.482 20 0 JIADMO COc1ccccc1CN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001300610522 1069216170 /nfs/dbraw/zinc/21/61/70/1069216170.db2.gz PKYJINCIUKBFOQ-QFIPXVFZSA-N 1 1 468.690 4.027 20 0 JIADMO 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 ZINC000849565901 1069216586 /nfs/dbraw/zinc/21/65/86/1069216586.db2.gz XPPGHDFRHYOYRA-IGKWTDBASA-N 1 1 483.657 4.136 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849568488 1069219301 /nfs/dbraw/zinc/21/93/01/1069219301.db2.gz NQELCJVGDSRKAG-RTWAWAEBSA-N 1 1 490.530 4.016 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cn1 ZINC000849568412 1069219573 /nfs/dbraw/zinc/21/95/73/1069219573.db2.gz NYNKAVNSVIVIPJ-QKDODKLFSA-N 1 1 492.067 4.043 20 0 JIADMO Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)C3)cs1 ZINC000849571289 1069221696 /nfs/dbraw/zinc/22/16/96/1069221696.db2.gz IEEXVXUWZGKDRK-PMACEKPBSA-N 1 1 469.680 4.312 20 0 JIADMO CCOC(=O)c1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)ccc1Sc1ccccc1 ZINC000849571299 1069221841 /nfs/dbraw/zinc/22/18/41/1069221841.db2.gz FJCFHECQXGSUEZ-GGAORHGYSA-N 1 1 478.618 4.422 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849572472 1069222970 /nfs/dbraw/zinc/22/29/70/1069222970.db2.gz MWFLOHVBPFSIAP-RTBURBONSA-N 1 1 460.504 4.077 20 0 JIADMO CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849573350 1069224481 /nfs/dbraw/zinc/22/44/81/1069224481.db2.gz SBUSSNLODZURBP-CTNGQTDRSA-N 1 1 485.032 4.375 20 0 JIADMO 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 ZINC000849573225 1069224591 /nfs/dbraw/zinc/22/45/91/1069224591.db2.gz QCCZQEMBJLMLNG-GBESFXJTSA-N 1 1 474.474 4.255 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)[C@H](c2cnn(C)c2)C1 ZINC000849573937 1069224959 /nfs/dbraw/zinc/22/49/59/1069224959.db2.gz VIJNYDBWINQEQV-LSQMVHIFSA-N 1 1 466.029 4.383 20 0 JIADMO CCC(CC)(CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(OC)c(OC)c1 ZINC000849576359 1069228485 /nfs/dbraw/zinc/22/84/85/1069228485.db2.gz CUMBHVIUBCOOTD-PKTZIBPZSA-N 1 1 470.658 4.125 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849577581 1069230047 /nfs/dbraw/zinc/23/00/47/1069230047.db2.gz OAZBACBQIRSZPD-FDFHNCONSA-N 1 1 477.422 4.403 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(OCc3ccccc3F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849578001 1069230111 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COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849589758 1069241821 /nfs/dbraw/zinc/24/18/21/1069241821.db2.gz ZHWJHIIFKPUVDZ-SFTDATJTSA-N 1 1 472.593 4.425 20 0 JIADMO 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 1069242132 /nfs/dbraw/zinc/24/21/32/1069242132.db2.gz XUNFKLLXKXBOLR-WOJBJXKFSA-N 1 1 495.546 4.138 20 0 JIADMO 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 1069242911 /nfs/dbraw/zinc/24/29/11/1069242911.db2.gz FPPWRORWWVXOMP-BDTNDASRSA-N 1 1 464.532 4.400 20 0 JIADMO Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849593088 1069245666 /nfs/dbraw/zinc/24/56/66/1069245666.db2.gz AXYKLDKIPIIHJX-GOTSBHOMSA-N 1 1 456.594 4.496 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849594134 1069246205 /nfs/dbraw/zinc/24/62/05/1069246205.db2.gz SZMGRTSUIYWSOH-XUZZJYLKSA-N 1 1 451.590 4.261 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC2(c3ccc(Br)s3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849595163 1069247031 /nfs/dbraw/zinc/24/70/31/1069247031.db2.gz ZWGRKYVKFXGTLW-MSOLQXFVSA-N 1 1 479.488 4.296 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849594596 1069247922 /nfs/dbraw/zinc/24/79/22/1069247922.db2.gz FJEDAKRAWFNNMX-GOTSBHOMSA-N 1 1 458.050 4.015 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCCc2ccc(Br)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849598479 1069253072 /nfs/dbraw/zinc/25/30/72/1069253072.db2.gz ZYQJVRYRQJRECB-OALUTQOASA-N 1 1 467.839 4.009 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849599426 1069254938 /nfs/dbraw/zinc/25/49/38/1069254938.db2.gz NMEJWSJPHPOHPJ-MSOLQXFVSA-N 1 1 469.577 4.116 20 0 JIADMO CC[C@H](C)n1c2ccc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)cc2nc1C(F)(F)F ZINC000849599098 1069255201 /nfs/dbraw/zinc/25/52/01/1069255201.db2.gz KQTDMVGOCBDXOG-QGTPRVQTSA-N 1 1 462.520 4.434 20 0 JIADMO 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 1069258028 /nfs/dbraw/zinc/25/80/28/1069258028.db2.gz UKRXSHXEYXBTEN-FKBYEOEOSA-N 1 1 466.548 4.147 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc3c(Br)ccnc23)[C@H](c2cnn(C)c2)C1 ZINC000849604446 1069261182 /nfs/dbraw/zinc/26/11/82/1069261182.db2.gz XGINUJQZISGKAN-WMZOPIPTSA-N 1 1 456.388 4.183 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2Cc2ccccc2Br)[C@@H](c2cnn(C)c2)C1 ZINC000849603561 1069261866 /nfs/dbraw/zinc/26/18/66/1069261866.db2.gz RBKFTAFRMBZOOJ-BHIFYINESA-N 1 1 473.459 4.230 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)[C@H](c2cnn(C)c2)C1 ZINC000849608327 1069264545 /nfs/dbraw/zinc/26/45/45/1069264545.db2.gz OJPWKBMAXOSUDJ-CABCVRRESA-N 1 1 477.432 4.087 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)cn1 ZINC000849610501 1069266734 /nfs/dbraw/zinc/26/67/34/1069266734.db2.gz JSRQLYAPNFZGGD-XKCSPQBFSA-N 1 1 455.027 4.345 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(SCc3cccs3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849611119 1069270020 /nfs/dbraw/zinc/27/00/20/1069270020.db2.gz UBRIROSDYBODPT-DLBZAZTESA-N 1 1 462.670 4.078 20 0 JIADMO Cc1ccc(Sc2nsc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)cc1 ZINC000849612467 1069271320 /nfs/dbraw/zinc/27/13/20/1069271320.db2.gz LJIMEDHEWJVARU-OALUTQOASA-N 1 1 456.641 4.184 20 0 JIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)cc1 ZINC001354529717 1069304659 /nfs/dbraw/zinc/30/46/59/1069304659.db2.gz OTQGVQJACCYVFF-HYBUGGRVSA-N 1 1 451.567 4.037 20 0 JIADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]3O2)n1 ZINC001164653100 719300473 /nfs/dbraw/zinc/30/04/73/719300473.db2.gz OBCGMGFLEADKRN-YTQUADARSA-N 1 1 480.638 4.214 20 0 JIADMO Cc1noc([C@@H]2C[C@H]3CCN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3O2)n1 ZINC001164649177 719300582 /nfs/dbraw/zinc/30/05/82/719300582.db2.gz HDKBXTIFGLBRNE-NZSAHSFTSA-N 1 1 480.638 4.214 20 0 JIADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(C[NH+]5CCC(C)CC5)nc5sc6c(c54)CCC6)C[C@H]3O2)n1 ZINC001164656371 719300596 /nfs/dbraw/zinc/30/05/96/719300596.db2.gz WOUKEUNSWZDWAF-YSIASYRMSA-N 1 1 494.665 4.460 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3CCCO[C@@H]3[C@@H](N3CCCC3=O)C2)n1 ZINC001164648049 719305396 /nfs/dbraw/zinc/30/53/96/719305396.db2.gz FRKALAMTUYDJAG-OWHZGTRUSA-N 1 1 491.661 4.026 20 0 JIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)CC2 ZINC001164652872 719314581 /nfs/dbraw/zinc/31/45/81/719314581.db2.gz SAWVRMMZHFIFTH-UHFFFAOYSA-N 1 1 461.948 4.139 20 0 JIADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccc(F)cc3)nc3ccc(Cl)cc31)CC2 ZINC001164685024 719707425 /nfs/dbraw/zinc/70/74/25/719707425.db2.gz QALJNWXOFMPIQC-UHFFFAOYSA-N 1 1 467.976 4.270 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCc3onc(C(=O)N(C)C(C)C)c3C2)n1 ZINC001164693628 719788203 /nfs/dbraw/zinc/78/82/03/719788203.db2.gz CAICUJTTWMKQDK-UHFFFAOYSA-N 1 1 470.643 4.181 20 0 JIADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2nc(Cl)cc(N(C)C)n2)CC3)cs1 ZINC001164693788 719805459 /nfs/dbraw/zinc/80/54/59/719805459.db2.gz UPLHKMJHFVNLSN-UHFFFAOYSA-N 1 1 456.994 4.141 20 0 JIADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2nc(Cl)cc(N(C)C)n2)CC3)cs1 ZINC001164693788 719805460 /nfs/dbraw/zinc/80/54/60/719805460.db2.gz UPLHKMJHFVNLSN-UHFFFAOYSA-N 1 1 456.994 4.141 20 0 JIADMO CCOC(Cc1c(Cl)ncnc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1)OCC ZINC001164691988 719809080 /nfs/dbraw/zinc/80/90/80/719809080.db2.gz DQMOQRXVCCSAPA-UHFFFAOYSA-N 1 1 480.078 4.472 20 0 JIADMO COC[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CC[C@@H](C)C4)Cc2cn(C)nc21 ZINC001164695780 719832862 /nfs/dbraw/zinc/83/28/62/719832862.db2.gz OQBRGIOICQQUTD-MJGOQNOKSA-N 1 1 480.682 4.286 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C(=O)Nc3ccc(Cl)nc3)ccc1F)C2 ZINC001164812640 720116155 /nfs/dbraw/zinc/11/61/55/720116155.db2.gz PJEXWCCTTDMBGA-UQBPGWFLSA-N 1 1 472.992 4.311 20 0 JIADMO 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Clc1cnc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164753495 720886257 /nfs/dbraw/zinc/88/62/57/720886257.db2.gz HDAVLHCEMNQWIR-ATIYNZHBSA-N 1 1 464.013 4.433 20 0 JIADMO CCOC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164756536 720888186 /nfs/dbraw/zinc/88/81/86/720888186.db2.gz QDHWRSWEWIOIIM-AMGIVPHBSA-N 1 1 499.055 4.370 20 0 JIADMO Clc1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc2c1 ZINC001164749771 720893003 /nfs/dbraw/zinc/89/30/03/720893003.db2.gz APRSLRMEUUNYHT-NVQXNPDNSA-N 1 1 464.013 4.433 20 0 JIADMO Cc1nc2c(nc(Cl)nc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164750826 720893675 /nfs/dbraw/zinc/89/36/75/720893675.db2.gz CBVXCTJLHVVWKV-CYFREDJKSA-N 1 1 485.057 4.198 20 0 JIADMO CCCN(CCC)c1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757873 720898670 /nfs/dbraw/zinc/89/86/70/720898670.db2.gz WAIBCKXVBKRHFN-LSYYVWMOSA-N 1 1 478.685 4.253 20 0 JIADMO CCCN(CCC)c1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757871 720898695 /nfs/dbraw/zinc/89/86/95/720898695.db2.gz WAIBCKXVBKRHFN-LBNVMWSVSA-N 1 1 478.685 4.253 20 0 JIADMO CCCN(CCC)c1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757874 720899484 /nfs/dbraw/zinc/89/94/84/720899484.db2.gz WAIBCKXVBKRHFN-NAKRPHOHSA-N 1 1 478.685 4.253 20 0 JIADMO c1ccc(-c2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)cc1 ZINC001164753742 720908067 /nfs/dbraw/zinc/90/80/67/720908067.db2.gz SLTPJTDLIPBNJR-NAKRPHOHSA-N 1 1 455.606 4.294 20 0 JIADMO Cc1nc(C)c(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)s1 ZINC001164750075 720927007 /nfs/dbraw/zinc/92/70/07/720927007.db2.gz JAZGFTHSABRVEM-HOFKKMOUSA-N 1 1 490.677 4.367 20 0 JIADMO c1cc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cs1 ZINC001164751429 720928775 /nfs/dbraw/zinc/92/87/75/720928775.db2.gz MLBBHAPNNQUWRA-BVAGGSTKSA-N 1 1 461.635 4.355 20 0 JIADMO c1cc(-c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cs1 ZINC001164751436 720929744 /nfs/dbraw/zinc/92/97/44/720929744.db2.gz MLBBHAPNNQUWRA-ZEQKJWHPSA-N 1 1 461.635 4.355 20 0 JIADMO Clc1nc2c(nc1N1CC[C@@]3(C1)C[N@@H+](CC1CC1)C[C@@H]3COCc1cccnc1)CCCC2 ZINC001164751404 720936654 /nfs/dbraw/zinc/93/66/54/720936654.db2.gz MDNBBBLYRIGOHM-RLWLMLJZSA-N 1 1 468.045 4.159 20 0 JIADMO NC(=S)c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2sccc21 ZINC001164748536 720939060 /nfs/dbraw/zinc/93/90/60/720939060.db2.gz GTUVPIMKPIUFPT-IBVKSMDESA-N 1 1 493.702 4.081 20 0 JIADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164868931 721067714 /nfs/dbraw/zinc/06/77/14/721067714.db2.gz RGOZJAUNARFNJE-VWNXMTODSA-N 1 1 485.563 4.319 20 0 JIADMO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866381 721097194 /nfs/dbraw/zinc/09/71/94/721097194.db2.gz SXOOXWHLEBGQRX-JKSUJKDBSA-N 1 1 480.346 4.356 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5cc(Cl)c(Cl)cc5nc4Cl)C[C@@H]3C2)cn1 ZINC001164774045 721099969 /nfs/dbraw/zinc/09/99/69/721099969.db2.gz YTILLWJTXIMPAM-KGLIPLIRSA-N 1 1 451.789 4.282 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)nc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164772245 721110291 /nfs/dbraw/zinc/11/02/91/721110291.db2.gz UQKWGDCKDJLQCB-LSDHHAIUSA-N 1 1 467.351 4.173 20 0 JIADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870263 721135823 /nfs/dbraw/zinc/13/58/23/721135823.db2.gz CDKLKUNOQCUHNJ-KGLIPLIRSA-N 1 1 463.743 4.461 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)c(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164771319 721142337 /nfs/dbraw/zinc/14/23/37/721142337.db2.gz SAAVVMUXXYQOBN-GJZGRUSLSA-N 1 1 467.351 4.173 20 0 JIADMO CSCc1nc2sc3c(c2c(N2CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C2)n1)CCCC3 ZINC001164874512 721144277 /nfs/dbraw/zinc/14/42/77/721144277.db2.gz KIXTYDWDUCXAFK-MOPGFXCFSA-N 1 1 481.691 4.308 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5c(Cl)nc(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164764314 721145405 /nfs/dbraw/zinc/14/54/05/721145405.db2.gz HOUNUMZFRFHMIX-LSDHHAIUSA-N 1 1 467.351 4.173 20 0 JIADMO Fc1ccc(-c2nnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164880728 721145668 /nfs/dbraw/zinc/14/56/68/721145668.db2.gz XIMAEENIZGEQLE-PKTZIBPZSA-N 1 1 455.537 4.311 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164765703 721160372 /nfs/dbraw/zinc/16/03/72/721160372.db2.gz KCNIEELVUDJVSR-RTBURBONSA-N 1 1 458.944 4.034 20 0 JIADMO COc1cccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164869703 721164656 /nfs/dbraw/zinc/16/46/56/721164656.db2.gz AAROMDSFSZRTGP-ISKFKSNPSA-N 1 1 467.573 4.180 20 0 JIADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879122 721165211 /nfs/dbraw/zinc/16/52/11/721165211.db2.gz RVPVMMQIVMNYPR-RTWAWAEBSA-N 1 1 471.939 4.217 20 0 JIADMO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762750 721168389 /nfs/dbraw/zinc/16/83/89/721168389.db2.gz DPERARMCLWTUCJ-RTBURBONSA-N 1 1 498.002 4.410 20 0 JIADMO Cc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164871119 721184987 /nfs/dbraw/zinc/18/49/87/721184987.db2.gz DUSKRAJWDFFPDP-PZJWPPBQSA-N 1 1 451.958 4.105 20 0 JIADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)nn1 ZINC001164868490 721192497 /nfs/dbraw/zinc/19/24/97/721192497.db2.gz NCGODPSSRPNVBH-ZWKOTPCHSA-N 1 1 489.929 4.356 20 0 JIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@@H](COC)N(C(=O)c4cccn4C)C3)CC2)nc1 ZINC001164870133 721225286 /nfs/dbraw/zinc/22/52/86/721225286.db2.gz FRSBNYLCDGNVAP-ZEQRLZLVSA-N 1 1 479.669 4.115 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccc(Cl)s5)nc5c4CCC5)C[C@H]3C2)cn1 ZINC001164770183 721225606 /nfs/dbraw/zinc/22/56/06/721225606.db2.gz OBQBUHLMXAQYBW-DLBZAZTESA-N 1 1 455.031 4.039 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC5CC4(C(=O)N4CCCC4)C5)c32)C1 ZINC001164870619 721237883 /nfs/dbraw/zinc/23/78/83/721237883.db2.gz AEERRHCUMWLZDA-BDNFLSAOSA-N 1 1 479.694 4.393 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4ccc(Cl)cc4)C[C@H]3C2)cn1 ZINC001164761954 721238482 /nfs/dbraw/zinc/23/84/82/721238482.db2.gz KWKXDTDLEDJHTG-DLBZAZTESA-N 1 1 459.381 4.268 20 0 JIADMO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164761395 721245581 /nfs/dbraw/zinc/24/55/81/721245581.db2.gz HYDRFOVKHDQYTK-RBUKOAKNSA-N 1 1 488.970 4.042 20 0 JIADMO COc1ccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164760204 721246635 /nfs/dbraw/zinc/24/66/35/721246635.db2.gz DCVOQCPEJSVQAE-OALUTQOASA-N 1 1 488.970 4.042 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)nc1 ZINC001164881709 721299407 /nfs/dbraw/zinc/29/94/07/721299407.db2.gz XUNYOASOXFVJIB-QPTUXGOLSA-N 1 1 468.667 4.448 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3cc(C(=O)OC)c(N4CCCC4)nc3CC2)nc1 ZINC001164775689 721308638 /nfs/dbraw/zinc/30/86/38/721308638.db2.gz IJIWCKCFAOURTI-VWLOTQADSA-N 1 1 477.653 4.406 20 0 JIADMO CCN1CC[C@]2(CN(c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)C[C@H]2C)C1=O ZINC001164778368 721320542 /nfs/dbraw/zinc/32/05/42/721320542.db2.gz PQIQGOKTRYELGC-WXTAPIANSA-N 1 1 467.683 4.107 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3cc(C(=O)OC)c(-c4cnn(C)c4)nc3CC2)nc1 ZINC001164778944 721324646 /nfs/dbraw/zinc/32/46/46/721324646.db2.gz RVEFUXVDHSDXPQ-VWLOTQADSA-N 1 1 488.636 4.206 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccc(C)cc4nc3Cl)C2)C1 ZINC001164777174 721347691 /nfs/dbraw/zinc/34/76/91/721347691.db2.gz DWLORTYPUWJELW-XMMPIXPASA-N 1 1 455.990 4.315 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccc(C)cc4nc3Cl)C2)C1 ZINC001164777174 721347694 /nfs/dbraw/zinc/34/76/94/721347694.db2.gz DWLORTYPUWJELW-XMMPIXPASA-N 1 1 455.990 4.315 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4ccc(F)cc4)n3)C2)C1 ZINC001164776739 721348552 /nfs/dbraw/zinc/34/85/52/721348552.db2.gz CJDRKPPUGUHKOF-VWLOTQADSA-N 1 1 451.546 4.007 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4ccc(F)cc4)n3)C2)C1 ZINC001164776739 721348554 /nfs/dbraw/zinc/34/85/54/721348554.db2.gz CJDRKPPUGUHKOF-VWLOTQADSA-N 1 1 451.546 4.007 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(C)c(Cl)n3)C2)C1 ZINC001164779418 721352485 /nfs/dbraw/zinc/35/24/85/721352485.db2.gz SZFPSEYFKVVNMH-NRFANRHFSA-N 1 1 454.949 4.312 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(C)c(Cl)n3)C2)C1 ZINC001164779418 721352488 /nfs/dbraw/zinc/35/24/88/721352488.db2.gz SZFPSEYFKVVNMH-NRFANRHFSA-N 1 1 454.949 4.312 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c3ccn4C3CCCC3)C2)C1 ZINC001164779507 721353521 /nfs/dbraw/zinc/35/35/21/721353521.db2.gz UMODKVNFZNLOSW-AREMUKBSSA-N 1 1 464.614 4.270 20 0 JIADMO COc1ccc2c(C)cc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nc2c1 ZINC001164787069 721357669 /nfs/dbraw/zinc/35/76/69/721357669.db2.gz YFWULESUWFCLMV-AREMUKBSSA-N 1 1 450.583 4.276 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C2)C1 ZINC001164785217 721363008 /nfs/dbraw/zinc/36/30/08/721363008.db2.gz SPAKZIFCGLZTKL-FQEVSTJZSA-N 1 1 490.382 4.138 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C2)C1 ZINC001164785217 721363010 /nfs/dbraw/zinc/36/30/10/721363010.db2.gz SPAKZIFCGLZTKL-FQEVSTJZSA-N 1 1 490.382 4.138 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)n1 ZINC001164885018 721377179 /nfs/dbraw/zinc/37/71/79/721377179.db2.gz BOIOYYHNILWBKA-VWLOTQADSA-N 1 1 499.706 4.204 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5scc(-c6cccs6)c54)C3)O2)CC1 ZINC001164894590 721396199 /nfs/dbraw/zinc/39/61/99/721396199.db2.gz ZEPQCJJEGMNQRT-UUOWRZLLSA-N 1 1 469.680 4.185 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C3)O2)CC1 ZINC001164890542 721398329 /nfs/dbraw/zinc/39/83/29/721398329.db2.gz NZNFYJOOPUIXAF-DJJJIMSYSA-N 1 1 468.256 4.461 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C3)O2)CC1 ZINC001164889423 721405283 /nfs/dbraw/zinc/40/52/83/721405283.db2.gz QGRPFOQZHYPNNZ-REWPJTCUSA-N 1 1 464.988 4.199 20 0 JIADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)n2)cc1 ZINC001164892867 721421980 /nfs/dbraw/zinc/42/19/80/721421980.db2.gz YZEMMWCFVCHIFF-FUFSCUOVSA-N 1 1 471.649 4.371 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164889821 721422068 /nfs/dbraw/zinc/42/20/68/721422068.db2.gz RNJPMEYIGIHADI-YKSBVNFPSA-N 1 1 492.014 4.107 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc(OCc5ccccc5)cc4Cl)C3)O2)CC1 ZINC001164894893 721428366 /nfs/dbraw/zinc/42/83/66/721428366.db2.gz MZRGFCJQTSIDEZ-BKMJKUGQSA-N 1 1 471.045 4.079 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)nc4C(F)(F)F)C3)O2)CC1 ZINC001164888686 721445656 /nfs/dbraw/zinc/44/56/56/721445656.db2.gz AJROKAURMDLZBS-BEFAXECRSA-N 1 1 482.925 4.064 20 0 JIADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164889680 721450047 /nfs/dbraw/zinc/45/00/47/721450047.db2.gz PEBBKQORWPRPAL-RLWLMLJZSA-N 1 1 486.060 4.250 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3ccc(F)cc31)CC2 ZINC001164783291 721452625 /nfs/dbraw/zinc/45/26/25/721452625.db2.gz BJOLSEXINLAYAD-IBGZPJMESA-N 1 1 462.997 4.156 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc(F)c(Cl)n1)CC2 ZINC001164786599 721452661 /nfs/dbraw/zinc/45/26/61/721452661.db2.gz NEEKULBTWJNAKI-QGZVFWFLSA-N 1 1 461.956 4.153 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1C)CC2 ZINC001164789300 721459875 /nfs/dbraw/zinc/45/98/75/721459875.db2.gz WOWWVCONBZHFAX-LJQANCHMSA-N 1 1 457.993 4.322 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1ccn3C1CCCC1)CC2 ZINC001164789938 721461036 /nfs/dbraw/zinc/46/10/36/721461036.db2.gz YPGUHFOEDDXQLE-QHCPKHFHSA-N 1 1 467.658 4.280 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3cccc(C)c31)CC2 ZINC001164786465 721463400 /nfs/dbraw/zinc/46/34/00/721463400.db2.gz OFBICUCVPOQLFJ-FQEVSTJZSA-N 1 1 459.034 4.326 20 0 JIADMO CCc1nc(Cl)c(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c(Cl)n1 ZINC001164790623 721468492 /nfs/dbraw/zinc/46/84/92/721468492.db2.gz SNEUHSZJHPAWBU-KRWDZBQOSA-N 1 1 457.446 4.080 20 0 JIADMO c1cn2c(n1)CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C[C@@H](COCc1ccccn1)C2 ZINC001164893287 721468980 /nfs/dbraw/zinc/46/89/80/721468980.db2.gz SLAFPQHQACNMQT-DEOSSOPVSA-N 1 1 480.616 4.085 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@@]3(COc3ncccc3F)C2)n1 ZINC001164793954 721487556 /nfs/dbraw/zinc/48/75/56/721487556.db2.gz YRMYEWHFSDVJOA-IQGLISFBSA-N 1 1 485.629 4.216 20 0 JIADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164793173 721490503 /nfs/dbraw/zinc/49/05/03/721490503.db2.gz OUYCXFIMVCVXDM-UHFFFAOYSA-N 1 1 479.959 4.128 20 0 JIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)CC2 ZINC001164791406 721497490 /nfs/dbraw/zinc/49/74/90/721497490.db2.gz CLIOWMFYBMQYHU-UHFFFAOYSA-N 1 1 484.652 4.200 20 0 JIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CC2 ZINC001164795929 721498687 /nfs/dbraw/zinc/49/86/87/721498687.db2.gz NGEHZMWEGVKUHI-UHFFFAOYSA-N 1 1 458.944 4.499 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)cnc3c2)[C@H]2CCCO[C@@H]12 ZINC001164808363 721549024 /nfs/dbraw/zinc/54/90/24/721549024.db2.gz RQEGWELEUAZEPL-TUNNFDKTSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)cnc3c2)[C@H]2CCCO[C@@H]12 ZINC001164808363 721549027 /nfs/dbraw/zinc/54/90/27/721549027.db2.gz RQEGWELEUAZEPL-TUNNFDKTSA-N 1 1 459.928 4.091 20 0 JIADMO O=C(c1ccccc1)n1ccc2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc21 ZINC001164912460 721550329 /nfs/dbraw/zinc/55/03/29/721550329.db2.gz ZWJODDUNINSHQR-UPVQGACJSA-N 1 1 456.521 4.206 20 0 JIADMO CSc1ccc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1Cl ZINC001164802219 721561004 /nfs/dbraw/zinc/56/10/04/721561004.db2.gz HSKDLFHLGCXGOL-GJYPPUQNSA-N 1 1 454.974 4.265 20 0 JIADMO CSc1ccc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1Cl ZINC001164802219 721561007 /nfs/dbraw/zinc/56/10/07/721561007.db2.gz HSKDLFHLGCXGOL-GJYPPUQNSA-N 1 1 454.974 4.265 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164801148 721582178 /nfs/dbraw/zinc/58/21/78/721582178.db2.gz DSFSAKGQXFECNP-WOIUINJBSA-N 1 1 486.954 4.000 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164801148 721582184 /nfs/dbraw/zinc/58/21/84/721582184.db2.gz DSFSAKGQXFECNP-WOIUINJBSA-N 1 1 486.954 4.000 20 0 JIADMO 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CC(C)NC(=O)C[C@H]1CC2(CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC2)Oc2ccccc21 ZINC001164797224 721593516 /nfs/dbraw/zinc/59/35/16/721593516.db2.gz FPKSKWCUSARVGT-QFIPXVFZSA-N 1 1 492.664 4.375 20 0 JIADMO COC(=O)c1cc2c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH]c(Cl)cc-2n1 ZINC001164908269 721715132 /nfs/dbraw/zinc/71/51/32/721715132.db2.gz WTHMQNHOJVWCMR-QFIPXVFZSA-N 1 1 475.927 4.136 20 0 JIADMO CC(C)n1cnc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908528 721717298 /nfs/dbraw/zinc/71/72/98/721717298.db2.gz XHWHVNUWGUSMGD-OAQYLSRUSA-N 1 1 461.948 4.193 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)C2 ZINC001164910065 721756599 /nfs/dbraw/zinc/75/65/99/721756599.db2.gz KKDJNXFIQUCKLG-UHFFFAOYSA-N 1 1 468.001 4.446 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)C2 ZINC001164910065 721756603 /nfs/dbraw/zinc/75/66/03/721756603.db2.gz KKDJNXFIQUCKLG-UHFFFAOYSA-N 1 1 468.001 4.446 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3ccccc3nc1N1CCCC1)C2 ZINC001164909479 721759762 /nfs/dbraw/zinc/75/97/62/721759762.db2.gz BFRYFMZOTVQDAD-UHFFFAOYSA-N 1 1 454.578 4.413 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3ccccc3nc1N1CCCC1)C2 ZINC001164909479 721759763 /nfs/dbraw/zinc/75/97/63/721759763.db2.gz BFRYFMZOTVQDAD-UHFFFAOYSA-N 1 1 454.578 4.413 20 0 JIADMO Cc1ccc(-c2nc3ccccc3c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164917076 721788662 /nfs/dbraw/zinc/78/86/62/721788662.db2.gz WPPRAQYGKAUNPG-GDLZYMKVSA-N 1 1 481.600 4.108 20 0 JIADMO Cc1ccc(-c2nc3ccccc3c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164917076 721788669 /nfs/dbraw/zinc/78/86/69/721788669.db2.gz WPPRAQYGKAUNPG-GDLZYMKVSA-N 1 1 481.600 4.108 20 0 JIADMO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165027215 721799603 /nfs/dbraw/zinc/79/96/03/721799603.db2.gz UIHNRCUBNQOJSD-NNWRFLSQSA-N 1 1 484.604 4.191 20 0 JIADMO 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Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncccc4C(=O)NCc4ccccc4)CC3)C2)cc1 ZINC001164938774 721921561 /nfs/dbraw/zinc/92/15/61/721921561.db2.gz RCWMUEHZSOBNMA-UHFFFAOYSA-N 1 1 470.617 4.191 20 0 JIADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939364 721925682 /nfs/dbraw/zinc/92/56/82/721925682.db2.gz KERJWJHHHWMCEO-UHFFFAOYSA-N 1 1 491.057 4.208 20 0 JIADMO CCOC(Cc1c(Cl)ncnc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2)OCC ZINC001164939322 721926641 /nfs/dbraw/zinc/92/66/41/721926641.db2.gz ILWJMTJTVQRTRE-UHFFFAOYSA-N 1 1 489.060 4.251 20 0 JIADMO COc1cccc(Oc2cncc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)n2)c1 ZINC001164940067 721928707 /nfs/dbraw/zinc/92/87/07/721928707.db2.gz QBCKUBAGEHIRFG-UHFFFAOYSA-N 1 1 460.578 4.457 20 0 JIADMO CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)C12CC3CC(CC(C3)C1)C2 ZINC001165048490 721986482 /nfs/dbraw/zinc/98/64/82/721986482.db2.gz LUUALNUKTIBGLF-MBBDBFLNSA-N 1 1 454.659 4.285 20 0 JIADMO COC[C@@]12COC[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164952847 721994504 /nfs/dbraw/zinc/99/45/04/721994504.db2.gz PWOQLLKGCXYGTE-IBVKSMDESA-N 1 1 464.635 4.443 20 0 JIADMO Clc1nc(Cl)c2nc(Cl)nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2n1 ZINC001164952122 722015095 /nfs/dbraw/zinc/01/50/95/722015095.db2.gz HPUBCTOMQNTRFN-UHFFFAOYSA-N 1 1 464.788 4.268 20 0 JIADMO CN(C)C(=O)c1cc2cnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2n1C1CCCC1 ZINC001164952056 722017386 /nfs/dbraw/zinc/01/73/86/722017386.db2.gz GOSBJWWCLCRYNX-UHFFFAOYSA-N 1 1 487.652 4.136 20 0 JIADMO O=C(NCCSCc1ccco1)c1cccnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955881 722019588 /nfs/dbraw/zinc/01/95/88/722019588.db2.gz QPHQXMHFAWMJEH-UHFFFAOYSA-N 1 1 491.661 4.225 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@@H]43)c2c1C ZINC001164956425 722029531 /nfs/dbraw/zinc/02/95/31/722029531.db2.gz GLHRXRFRXIZDND-JQVVWYNYSA-N 1 1 483.613 4.253 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3[C@@H](CCN3C(=O)c3ccco3)C2)n1 ZINC001164958603 722048733 /nfs/dbraw/zinc/04/87/33/722048733.db2.gz OQGRXXQXBVCXHT-ICSRJNTNSA-N 1 1 473.602 4.364 20 0 JIADMO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960652 722058778 /nfs/dbraw/zinc/05/87/78/722058778.db2.gz FXWPLJYQXLIBHF-UHFFFAOYSA-N 1 1 461.944 4.275 20 0 JIADMO c1ccc(CSc2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164962182 722061287 /nfs/dbraw/zinc/06/12/87/722061287.db2.gz PFFAILIBNQWPSV-UHFFFAOYSA-N 1 1 461.635 4.283 20 0 JIADMO Cc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(-c2ccc(Cl)nc2)n1 ZINC001164961666 722061475 /nfs/dbraw/zinc/06/14/75/722061475.db2.gz NTHTUROLCQTZLX-UHFFFAOYSA-N 1 1 465.001 4.014 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@@H]3CCN4C(=O)c3cscn3)c2c1C ZINC001164965114 722065089 /nfs/dbraw/zinc/06/50/89/722065089.db2.gz ISEBYKUZXOJDEC-RBUKOAKNSA-N 1 1 482.679 4.244 20 0 JIADMO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967115 722072995 /nfs/dbraw/zinc/07/29/95/722072995.db2.gz ISQLVCLNPKXGPB-TXEJJXNPSA-N 1 1 463.743 4.434 20 0 JIADMO FC(F)(c1nc2cc(Cl)c(Cl)cc2nc1Cl)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967115 722072997 /nfs/dbraw/zinc/07/29/97/722072997.db2.gz ISQLVCLNPKXGPB-TXEJJXNPSA-N 1 1 463.743 4.434 20 0 JIADMO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967006 722073663 /nfs/dbraw/zinc/07/36/63/722073663.db2.gz JCVNAVSMPIYLJB-HDICACEKSA-N 1 1 459.949 4.017 20 0 JIADMO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c2ccccc21 ZINC001164966628 722073891 /nfs/dbraw/zinc/07/38/91/722073891.db2.gz DVPAJIYCBLESRU-CALCHBBNSA-N 1 1 473.955 4.133 20 0 JIADMO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c2ccccc21 ZINC001164966628 722073893 /nfs/dbraw/zinc/07/38/93/722073893.db2.gz DVPAJIYCBLESRU-CALCHBBNSA-N 1 1 473.955 4.133 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)nc1 ZINC001164971283 722090843 /nfs/dbraw/zinc/09/08/43/722090843.db2.gz BAIVPGPDOQPGIC-ACIOBRDBSA-N 1 1 454.640 4.018 20 0 JIADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164981618 722106950 /nfs/dbraw/zinc/10/69/50/722106950.db2.gz LUAUQSKNXKRVJG-QFBILLFUSA-N 1 1 477.918 4.090 20 0 JIADMO CSc1ccc(C(F)(F)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164971407 722124861 /nfs/dbraw/zinc/12/48/61/722124861.db2.gz CIKNHCJFFWRJGK-IAGOWNOFSA-N 1 1 454.974 4.124 20 0 JIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985431 722139175 /nfs/dbraw/zinc/13/91/75/722139175.db2.gz ZKTSGDRWUBHMJW-SIKLNZKXSA-N 1 1 480.996 4.187 20 0 JIADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985093 722140524 /nfs/dbraw/zinc/14/05/24/722140524.db2.gz ZHXKVNRWANMYLH-HNVPCBRESA-N 1 1 472.637 4.131 20 0 JIADMO Fc1ccc(-c2ccc(Cl)nn2)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164984242 722146996 /nfs/dbraw/zinc/14/69/96/722146996.db2.gz WTJRFAISVZOHJC-WZONZLPQSA-N 1 1 453.949 4.058 20 0 JIADMO COc1cccc(-c2nc3ccccc3c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164982541 722148201 /nfs/dbraw/zinc/14/82/01/722148201.db2.gz RPJGWGJUBQLFKI-HOFKKMOUSA-N 1 1 481.600 4.428 20 0 JIADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982612 722150228 /nfs/dbraw/zinc/15/02/28/722150228.db2.gz RSTBGQASVWOSIY-NFBKMPQASA-N 1 1 485.966 4.464 20 0 JIADMO Cc1nc(CN2CCO[C@H]3CCN(c4[nH+]cnc5c4ccn5C4CCCC4)CC[C@H]32)cs1 ZINC001164987927 722182785 /nfs/dbraw/zinc/18/27/85/722182785.db2.gz IYGKCESZTYGCHP-YADHBBJMSA-N 1 1 452.628 4.181 20 0 JIADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994559 722192445 /nfs/dbraw/zinc/19/24/45/722192445.db2.gz NXQNRSYOXBFFGX-OAQYLSRUSA-N 1 1 468.907 4.236 20 0 JIADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994559 722192448 /nfs/dbraw/zinc/19/24/48/722192448.db2.gz NXQNRSYOXBFFGX-OAQYLSRUSA-N 1 1 468.907 4.236 20 0 JIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncnc4c2CN(Cc2ccccc2)CC4)C3)c1 ZINC001164993994 722194621 /nfs/dbraw/zinc/19/46/21/722194621.db2.gz KKHKQORNLFDEQQ-NDEPHWFRSA-N 1 1 457.597 4.419 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 ZINC001164998018 722220271 /nfs/dbraw/zinc/22/02/71/722220271.db2.gz GNVVLJBXFVQKPO-WXVAWEFUSA-N 1 1 462.594 4.381 20 0 JIADMO Cc1ccc(S(=O)(=O)N(C)[C@H](C)[C@H](OC(=O)[C@H]2CCC[N@H+]2C(C)C)c2ccccc2)cc1 ZINC001354540224 1069316938 /nfs/dbraw/zinc/31/69/38/1069316938.db2.gz VOLYFAQVOBYKMB-HUVFLSCGSA-N 1 1 458.624 4.161 20 0 JIADMO Cc1ccc(S(=O)(=O)N(C)[C@H](C)[C@H](OC(=O)[C@H]2CCC[N@@H+]2C(C)C)c2ccccc2)cc1 ZINC001354540224 1069316953 /nfs/dbraw/zinc/31/69/53/1069316953.db2.gz VOLYFAQVOBYKMB-HUVFLSCGSA-N 1 1 458.624 4.161 20 0 JIADMO Cc1ccccc1CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCC[C@H]1C ZINC001492592909 1069323776 /nfs/dbraw/zinc/32/37/76/1069323776.db2.gz WUSPJRQPMQTEAQ-GGAORHGYSA-N 1 1 498.672 4.016 20 0 JIADMO COc1ccccc1OCc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@H](OC)C(C)(C)C ZINC001300652029 1069338595 /nfs/dbraw/zinc/33/85/95/1069338595.db2.gz LBMBCJLQBPSYCD-HSZRJFAPSA-N 1 1 499.681 4.311 20 0 JIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(=S)Nc1ccc(Br)cc1OC(F)(F)F)CC2 ZINC001200711987 1069356307 /nfs/dbraw/zinc/35/63/07/1069356307.db2.gz WDTGUYKIBSNTRJ-UHFFFAOYSA-N 1 1 481.338 4.175 20 0 JIADMO CC(C)[C@H](CNC(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1)[NH+]1CCOCC1 ZINC001354587448 1069356853 /nfs/dbraw/zinc/35/68/53/1069356853.db2.gz GQJMOUXMGSRHPQ-KRWDZBQOSA-N 1 1 454.011 4.353 20 0 JIADMO COc1ccccc1SCc1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCC(C)(F)F ZINC001300669965 1069398763 /nfs/dbraw/zinc/39/87/63/1069398763.db2.gz ODVDUABDQHQHDV-DLBZAZTESA-N 1 1 451.587 4.297 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC(C)=C(C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300672875 1069411952 /nfs/dbraw/zinc/41/19/52/1069411952.db2.gz SETIIZWWYPTVTF-QFIPXVFZSA-N 1 1 485.698 4.482 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC(F)(F)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001300675803 1069421115 /nfs/dbraw/zinc/42/11/15/1069421115.db2.gz JXEJYBTXMSHZAZ-KRWDZBQOSA-N 1 1 451.587 4.156 20 0 JIADMO C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359349098 1069425156 /nfs/dbraw/zinc/42/51/56/1069425156.db2.gz QQMDBDAHVYRBAV-LQAKIXKWSA-N 1 1 450.631 4.033 20 0 JIADMO CC(=O)c1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)c(F)c1 ZINC001359350039 1069428682 /nfs/dbraw/zinc/42/86/82/1069428682.db2.gz QDZKYAIHQHWIKB-QHCPKHFHSA-N 1 1 484.664 4.364 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001359350579 1069430090 /nfs/dbraw/zinc/43/00/90/1069430090.db2.gz IXYHLRJVLBIPQB-MOPGFXCFSA-N 1 1 489.064 4.003 20 0 JIADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001359356045 1069442400 /nfs/dbraw/zinc/44/24/00/1069442400.db2.gz FIVHHYNZJROAAB-FQEVSTJZSA-N 1 1 473.065 4.168 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001359354610 1069440503 /nfs/dbraw/zinc/44/05/03/1069440503.db2.gz SSQPJKPRGOUMNM-HXUWFJFHSA-N 1 1 496.700 4.084 20 0 JIADMO CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001359368202 1069467032 /nfs/dbraw/zinc/46/70/32/1069467032.db2.gz FAWZGIJRQRMWLY-LJQANCHMSA-N 1 1 491.055 4.307 20 0 JIADMO CC(=O)N1CCCN(c2nnc(-c3ccccc3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359375125 1069480860 /nfs/dbraw/zinc/48/08/60/1069480860.db2.gz ATDMJGFRPDIWSK-SZPZYZBQSA-N 1 1 466.674 4.070 20 0 JIADMO CC(C)=CCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001359380616 1069485751 /nfs/dbraw/zinc/48/57/51/1069485751.db2.gz PHZKFCQQLMQGEO-HYBUGGRVSA-N 1 1 485.076 4.334 20 0 JIADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CCC(C)(F)F)C[C@@H]2C)CC1 ZINC001359380908 1069485532 /nfs/dbraw/zinc/48/55/32/1069485532.db2.gz VEJLUMWDXAANRM-LAUBAEHRSA-N 1 1 495.018 4.023 20 0 JIADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC001359385639 1069492403 /nfs/dbraw/zinc/49/24/03/1069492403.db2.gz HRGCIOOZRUGDIM-MOPGFXCFSA-N 1 1 491.055 4.307 20 0 JIADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[N@H+](C(C)C)C2)[C@@H](C)C1 ZINC001359386187 1069494714 /nfs/dbraw/zinc/49/47/14/1069494714.db2.gz VYUHDSCMJIXDCN-PKOBYXMFSA-N 1 1 493.483 4.429 20 0 JIADMO CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC12CCCCC2 ZINC001359392537 1069498021 /nfs/dbraw/zinc/49/80/21/1069498021.db2.gz VOWNDGWQAPDWQV-QHCPKHFHSA-N 1 1 480.701 4.369 20 0 JIADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CCCC(C)C)C[C@H]2C)CC1 ZINC001359398609 1069505832 /nfs/dbraw/zinc/50/58/32/1069505832.db2.gz BVXMDQTVRBQQST-XXBNENTESA-N 1 1 473.065 4.024 20 0 JIADMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001359411385 1069526425 /nfs/dbraw/zinc/52/64/25/1069526425.db2.gz KIRZGTBHCXPFJB-NNAHLOSHSA-N 1 1 478.641 4.251 20 0 JIADMO CC(=O)NC1CCN(c2nnc(-c3ccccc3Cl)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001359427506 1069553441 /nfs/dbraw/zinc/55/34/41/1069553441.db2.gz XNZROCWRRQDTKN-BGYRXZFFSA-N 1 1 487.092 4.462 20 0 JIADMO CC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001359435711 1069563550 /nfs/dbraw/zinc/56/35/50/1069563550.db2.gz CCOFVVUJKKWPLE-JTHBVZDNSA-N 1 1 458.695 4.016 20 0 JIADMO CC(=O)NCCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001359461592 1069583824 /nfs/dbraw/zinc/58/38/24/1069583824.db2.gz CBVOMKHJMKULQE-UHFFFAOYSA-N 1 1 497.471 4.001 20 0 JIADMO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccccc2F)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359464884 1069594149 /nfs/dbraw/zinc/59/41/49/1069594149.db2.gz IXCXZGGZIDGXIZ-NRFANRHFSA-N 1 1 498.672 4.409 20 0 JIADMO 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463.670 4.025 20 0 JIADMO Cc1cccc(CN2CCN(c3nnc(CC(C)C)n3C[C@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001492534648 1066581899 /nfs/dbraw/zinc/58/18/99/1066581899.db2.gz JGIKHEYSEYGMMR-ZEQRLZLVSA-N 1 1 452.691 4.228 20 0 JIADMO Cc1cccc(CN2CCN(c3nnc(CC(C)C)n3C[C@H](C)[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001492534648 1066581911 /nfs/dbraw/zinc/58/19/11/1066581911.db2.gz JGIKHEYSEYGMMR-ZEQRLZLVSA-N 1 1 452.691 4.228 20 0 JIADMO Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001343275008 1066607042 /nfs/dbraw/zinc/60/70/42/1066607042.db2.gz ZDJUOZDMKCYACU-MRXNPFEDSA-N 1 1 450.988 4.476 20 0 JIADMO Cc1ccsc1Cn1c(COc2cccc(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001492539276 1066625182 /nfs/dbraw/zinc/62/51/82/1066625182.db2.gz HUYIEMDDPZNGAS-UHFFFAOYSA-N 1 1 469.655 4.131 20 0 JIADMO Cc1ccsc1Cn1c(COc2cccc(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001492539276 1066625187 /nfs/dbraw/zinc/62/51/87/1066625187.db2.gz HUYIEMDDPZNGAS-UHFFFAOYSA-N 1 1 469.655 4.131 20 0 JIADMO 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O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@H]1CCN(c2ccccc2Br)C1=O ZINC001318214219 1066963122 /nfs/dbraw/zinc/96/31/22/1066963122.db2.gz PWTFSZKUMGDAQQ-QGZVFWFLSA-N 1 1 496.409 4.303 20 0 JIADMO Cc1ccc(-c2nnc(-c3ccc(C(=O)NCc4cccc(C[NH+]5CCN(C)CC5)c4)cc3)o2)cc1 ZINC001318225883 1066970575 /nfs/dbraw/zinc/97/05/75/1066970575.db2.gz XDGGPASVUKJMNZ-UHFFFAOYSA-N 1 1 481.600 4.389 20 0 JIADMO C[NH+]1CCN([C@@H](c2nc([C@@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)c2ccccc2)CC1 ZINC001350674643 1066986878 /nfs/dbraw/zinc/98/68/78/1066986878.db2.gz SIEYDSQNUGIRKK-FCHUYYIVSA-N 1 1 463.582 4.021 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC001318262432 1066989784 /nfs/dbraw/zinc/98/97/84/1066989784.db2.gz LVPHZSXBOLWXGP-BKMJKUGQSA-N 1 1 493.608 4.217 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC001318262436 1066989914 /nfs/dbraw/zinc/98/99/14/1066989914.db2.gz LVPHZSXBOLWXGP-NVQXNPDNSA-N 1 1 493.608 4.217 20 0 JIADMO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4[nH]c(C[NH+]5CCCCC5)nc4c3)cc2)C1 ZINC001318263454 1066990576 /nfs/dbraw/zinc/99/05/76/1066990576.db2.gz UXXKMKQKZDUSAO-IBGZPJMESA-N 1 1 495.649 4.222 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2c[nH]c3ccccc32)c2cccc(OC)c2OC)C1 ZINC001318355328 1067029901 /nfs/dbraw/zinc/02/99/01/1067029901.db2.gz UYHWAULQIVDIID-XXBNENTESA-N 1 1 464.610 4.348 20 0 JIADMO CC[NH+](CC)CCOc1ccc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)cc1 ZINC001351002872 1067030429 /nfs/dbraw/zinc/03/04/29/1067030429.db2.gz OGXTUUBRNHWKIM-UHFFFAOYSA-N 1 1 458.360 4.207 20 0 JIADMO Cc1cc(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)ccc1N1CCN(C)CC1 ZINC001318404442 1067038536 /nfs/dbraw/zinc/03/85/36/1067038536.db2.gz QNNTWVNCFHGKQY-QFIPXVFZSA-N 1 1 450.627 4.252 20 0 JIADMO Cc1cc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)ccc1N1CCN(C)CC1 ZINC001318404442 1067038551 /nfs/dbraw/zinc/03/85/51/1067038551.db2.gz QNNTWVNCFHGKQY-QFIPXVFZSA-N 1 1 450.627 4.252 20 0 JIADMO Cc1c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)nnn1CCOc1ccc(F)cc1 ZINC001354680010 1067039021 /nfs/dbraw/zinc/03/90/21/1067039021.db2.gz CRDLJNUDYMFLCV-SFHVURJKSA-N 1 1 451.546 4.289 20 0 JIADMO Cc1cc(N2CCC(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3Cl)CC2)nc(C)[nH+]1 ZINC001354694321 1067047624 /nfs/dbraw/zinc/04/76/24/1067047624.db2.gz CVTSTKZEQBTNOI-UHFFFAOYSA-N 1 1 459.978 4.493 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)nn3C)C2)ccn1 ZINC001351117733 1067047858 /nfs/dbraw/zinc/04/78/58/1067047858.db2.gz ORSYOBZDEUVQRX-JOCHJYFZSA-N 1 1 468.001 4.269 20 0 JIADMO Cc1c(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC001354696205 1067049207 /nfs/dbraw/zinc/04/92/07/1067049207.db2.gz LLLAHUWEHBIKLM-UHFFFAOYSA-N 1 1 458.488 4.005 20 0 JIADMO C[C@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001351237810 1067063234 /nfs/dbraw/zinc/06/32/34/1067063234.db2.gz SKBROHDDRMNBBB-DFBJGRDBSA-N 1 1 455.558 4.110 20 0 JIADMO C[C@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001351237810 1067063253 /nfs/dbraw/zinc/06/32/53/1067063253.db2.gz SKBROHDDRMNBBB-DFBJGRDBSA-N 1 1 455.558 4.110 20 0 JIADMO Cc1ccc(S(=O)(=O)C2(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CCCC2)cc1 ZINC001354728638 1067065274 /nfs/dbraw/zinc/06/52/74/1067065274.db2.gz CBERFTSRAWAGNH-QPPBQGQZSA-N 1 1 454.636 4.108 20 0 JIADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(F)(F)c3cccc(Cl)c3Cl)cc2)CC1 ZINC001351274081 1067068877 /nfs/dbraw/zinc/06/88/77/1067068877.db2.gz XWTKWTANPFTWRA-UHFFFAOYSA-N 1 1 456.320 4.040 20 0 JIADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 ZINC001319498442 1067074520 /nfs/dbraw/zinc/07/45/20/1067074520.db2.gz DTUIEHGORJJREC-UHFFFAOYSA-N 1 1 467.573 4.060 20 0 JIADMO C[N@H+]1CCCN(c2ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2)CC1 ZINC001354775507 1067092111 /nfs/dbraw/zinc/09/21/11/1067092111.db2.gz GDVNRBHOOKDYRP-HSZRJFAPSA-N 1 1 452.599 4.423 20 0 JIADMO CCc1noc(COc2ccc(OC(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)n1 ZINC001354790145 1067099624 /nfs/dbraw/zinc/09/96/24/1067099624.db2.gz DPUNHCBYRDUEFQ-HDICACEKSA-N 1 1 451.523 4.039 20 0 JIADMO CCc1noc(COc2ccc(OC(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)n1 ZINC001354790145 1067099637 /nfs/dbraw/zinc/09/96/37/1067099637.db2.gz DPUNHCBYRDUEFQ-HDICACEKSA-N 1 1 451.523 4.039 20 0 JIADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cccc4c(Br)cccc34)cc2)CC1 ZINC001351515705 1067115455 /nfs/dbraw/zinc/11/54/55/1067115455.db2.gz QXEYRERHQWVQPF-UHFFFAOYSA-N 1 1 452.352 4.242 20 0 JIADMO CCCS(=O)(=O)Nc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c1C ZINC001321589958 1067172904 /nfs/dbraw/zinc/17/29/04/1067172904.db2.gz NZCAOGWXCLYNDQ-UHFFFAOYSA-N 1 1 458.628 4.195 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001492578724 1067183163 /nfs/dbraw/zinc/18/31/63/1067183163.db2.gz UERHQLJACIEHIK-UHFFFAOYSA-N 1 1 480.657 4.058 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1cc(C(C)(C)C)no1 ZINC001492578724 1067183181 /nfs/dbraw/zinc/18/31/81/1067183181.db2.gz UERHQLJACIEHIK-UHFFFAOYSA-N 1 1 480.657 4.058 20 0 JIADMO Fc1cc(Br)cc(Br)c1NC(=S)N[C@H]1CC[N@H+](C2CCC2)C1 ZINC001200804974 1067223730 /nfs/dbraw/zinc/22/37/30/1067223730.db2.gz NKGPHVXKJRKZPA-JTQLQIEISA-N 1 1 451.203 4.264 20 0 JIADMO CCN1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)cc2)CC1 ZINC001351894128 1067234911 /nfs/dbraw/zinc/23/49/11/1067234911.db2.gz CLLXRRBISISDGI-XNMGPUDCSA-N 1 1 476.665 4.197 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCSC[C@@H]3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001492550021 1067253162 /nfs/dbraw/zinc/25/31/62/1067253162.db2.gz VVZKFMFGLTVKSQ-VXKWHMMOSA-N 1 1 457.688 4.475 20 0 JIADMO COc1cc(C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)CC2)ccc1C ZINC001354892884 1067257110 /nfs/dbraw/zinc/25/71/10/1067257110.db2.gz KUVOAXJCZJUXRI-CLJLJLNGSA-N 1 1 477.649 4.082 20 0 JIADMO CO[C@H]1CCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001300752972 1067277265 /nfs/dbraw/zinc/27/72/65/1067277265.db2.gz VLXPQUAAGZOUEZ-GGAORHGYSA-N 1 1 490.092 4.132 20 0 JIADMO CO[C@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCn2cc[nH+]c2C)C1 ZINC001300753106 1067277361 /nfs/dbraw/zinc/27/73/61/1067277361.db2.gz GOUJFTPTKLOVJS-UNMCSNQZSA-N 1 1 452.603 4.245 20 0 JIADMO C[C@@H](CNC(=O)c1c(Br)cccc1Br)[N@H+]1CCc2ccccc2C1 ZINC001352080746 1067282664 /nfs/dbraw/zinc/28/26/64/1067282664.db2.gz MNVBPXQKFMHYFP-ZDUSSCGKSA-N 1 1 452.190 4.388 20 0 JIADMO CO[C@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCCn2cc[nH+]c2C)C1 ZINC001300756689 1067284437 /nfs/dbraw/zinc/28/44/37/1067284437.db2.gz YTRCFRADULJOJM-ICSRJNTNSA-N 1 1 456.566 4.158 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(I)c(F)c3)CC2)cc1 ZINC001322511213 1067300008 /nfs/dbraw/zinc/30/00/08/1067300008.db2.gz VQVWTXFGDUXNHM-UHFFFAOYSA-N 1 1 452.311 4.087 20 0 JIADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3ccc(SC(F)(F)F)cc3)CC2)CC1 ZINC001322588219 1067304186 /nfs/dbraw/zinc/30/41/86/1067304186.db2.gz CAJJUZZIAJJSFG-UHFFFAOYSA-N 1 1 458.550 4.097 20 0 JIADMO Cc1ccccc1Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001492579515 1067315183 /nfs/dbraw/zinc/31/51/83/1067315183.db2.gz LNHHSCRSQKKXQE-PZJWPPBQSA-N 1 1 479.591 4.455 20 0 JIADMO C[NH+]1CCN(C(=O)C[C@H]2CC3(CCN(C(=S)Nc4ccccc4)CC3)c3ccccc32)CC1 ZINC001200832130 1067315667 /nfs/dbraw/zinc/31/56/67/1067315667.db2.gz FONYLNXJHRBCPU-NRFANRHFSA-N 1 1 462.663 4.069 20 0 JIADMO CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(OCC[NH+](CC)CC)cc2)CC1 ZINC001354985477 1067317840 /nfs/dbraw/zinc/31/78/40/1067317840.db2.gz SLDLVXKRHCZJJY-UHFFFAOYSA-N 1 1 459.034 4.455 20 0 JIADMO CO[C@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001300772009 1067321674 /nfs/dbraw/zinc/32/16/74/1067321674.db2.gz HNZUVECXDDOODZ-LOSJGSFVSA-N 1 1 499.700 4.127 20 0 JIADMO CO[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001300773972 1067326979 /nfs/dbraw/zinc/32/69/79/1067326979.db2.gz VJYHCFZHARVAGE-VWNXMTODSA-N 1 1 455.647 4.149 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001492498263 1067341605 /nfs/dbraw/zinc/34/16/05/1067341605.db2.gz WXZVUNLYXRGCHP-QUCCMNQESA-N 1 1 496.059 4.497 20 0 JIADMO Cc1cccc(-c2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001492498377 1067342212 /nfs/dbraw/zinc/34/22/12/1067342212.db2.gz BSCLACBVEVQEEU-SFHVURJKSA-N 1 1 474.531 4.024 20 0 JIADMO Cc1cccc2c(CCn3c(CC(C)(C)C)nnc3N(C)CC[N@@H+]3CCOC(C)(C)C3)c[nH]c21 ZINC001492553296 1067345316 /nfs/dbraw/zinc/34/53/16/1067345316.db2.gz IPLULVNOZCNOER-UHFFFAOYSA-N 1 1 466.674 4.446 20 0 JIADMO Cc1cccc2c(CCn3c(CC(C)(C)C)nnc3N(C)CC[N@H+]3CCOC(C)(C)C3)c[nH]c21 ZINC001492553296 1067345329 /nfs/dbraw/zinc/34/53/29/1067345329.db2.gz IPLULVNOZCNOER-UHFFFAOYSA-N 1 1 466.674 4.446 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3ccco3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300003017 1067345918 /nfs/dbraw/zinc/34/59/18/1067345918.db2.gz WKCYQRQOZSFSPD-JOCHJYFZSA-N 1 1 453.587 4.312 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc(CC(C)C)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001492553491 1067347462 /nfs/dbraw/zinc/34/74/62/1067347462.db2.gz KUFHUIRJRJSHLN-OFVILXPXSA-N 1 1 457.688 4.190 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3cc(C)cs3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c(OC)c1 ZINC001300003653 1067348058 /nfs/dbraw/zinc/34/80/58/1067348058.db2.gz XVMSEKAQLOKPGZ-FQEVSTJZSA-N 1 1 499.681 4.470 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3cnccn3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300003929 1067349083 /nfs/dbraw/zinc/34/90/83/1067349083.db2.gz XIBVJWDSANXVBO-BGYRXZFFSA-N 1 1 493.656 4.145 20 0 JIADMO Cc1ccccc1[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001492554097 1067353683 /nfs/dbraw/zinc/35/36/83/1067353683.db2.gz RRPXLPZBHKNNPI-FCHUYYIVSA-N 1 1 452.647 4.284 20 0 JIADMO COc1ccc(-c2nnc(N(C)C[C@H]3CC=CCC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300008400 1067359317 /nfs/dbraw/zinc/35/93/17/1067359317.db2.gz FYAHHRQPCRFYRG-RTWAWAEBSA-N 1 1 453.631 4.487 20 0 JIADMO CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCCC(C)(C)C2)CC1(C)C ZINC001300792342 1067362849 /nfs/dbraw/zinc/36/28/49/1067362849.db2.gz WCGNMQRUCDZTEK-JOCHJYFZSA-N 1 1 482.673 4.130 20 0 JIADMO CO[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CCC[C@H]2C)CC1(C)C ZINC001300793110 1067364790 /nfs/dbraw/zinc/36/47/90/1067364790.db2.gz DFPSFUSXSIOMJS-BEFAXECRSA-N 1 1 480.426 4.192 20 0 JIADMO COc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300011850 1067365141 /nfs/dbraw/zinc/36/51/41/1067365141.db2.gz MBNCTCUHLQINEO-IBGZPJMESA-N 1 1 469.552 4.471 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001492555372 1067365842 /nfs/dbraw/zinc/36/58/42/1067365842.db2.gz KGPKAFTWLXUWAW-IRLDBZIGSA-N 1 1 466.674 4.417 20 0 JIADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccccc3N(C)c3ccccc3)cc2)CC1 ZINC001355083819 1067371379 /nfs/dbraw/zinc/37/13/79/1067371379.db2.gz BCGYXCISLULSRC-UHFFFAOYSA-N 1 1 456.590 4.413 20 0 JIADMO Cc1ccccc1[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001492555317 1067375461 /nfs/dbraw/zinc/37/54/61/1067375461.db2.gz JKHMLDOXKYTUOS-DHIUTWEWSA-N 1 1 462.642 4.271 20 0 JIADMO Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)ncc1Br ZINC001355122027 1067376283 /nfs/dbraw/zinc/37/62/83/1067376283.db2.gz XUPJFEHDZCHVPJ-IAGOWNOFSA-N 1 1 457.397 4.463 20 0 JIADMO COc1ccc(-c2nnc(N(Cc3cccs3)C(C)C)n2CC[N@@H+]2CCOC[C@H]2C)c(OC)c1 ZINC001300016794 1067377015 /nfs/dbraw/zinc/37/70/15/1067377015.db2.gz GLEVJKMYWMZXKA-LJQANCHMSA-N 1 1 485.654 4.160 20 0 JIADMO COc1ccc(-c2nnc(N(Cc3cccs3)C(C)C)n2CC[N@H+]2CCOC[C@H]2C)c(OC)c1 ZINC001300016794 1067377025 /nfs/dbraw/zinc/37/70/25/1067377025.db2.gz GLEVJKMYWMZXKA-LJQANCHMSA-N 1 1 485.654 4.160 20 0 JIADMO COc1ccc(-c2nnc(N(CC(C)C)C3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)cc1OC ZINC001300017457 1067379016 /nfs/dbraw/zinc/37/90/16/1067379016.db2.gz VVPPJUMCLCVINZ-UHFFFAOYSA-N 1 1 485.673 4.478 20 0 JIADMO COc1ccc(-c2nnc(N(CC(C)C)C3CCCC3)n2CC[N@H+]2CCOCC2(C)C)cc1OC ZINC001300017457 1067379026 /nfs/dbraw/zinc/37/90/26/1067379026.db2.gz VVPPJUMCLCVINZ-UHFFFAOYSA-N 1 1 485.673 4.478 20 0 JIADMO NC(=O)c1ccc(CC(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cc1 ZINC001355419303 1067458746 /nfs/dbraw/zinc/45/87/46/1067458746.db2.gz BOQLIZLIKNFSQB-UHFFFAOYSA-N 1 1 453.995 4.054 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@]2(O)CCCC2(C)C)cc1 ZINC001300040089 1067458978 /nfs/dbraw/zinc/45/89/78/1067458978.db2.gz DLIBLWSTQRLSKU-MHZLTWQESA-N 1 1 469.674 4.452 20 0 JIADMO CN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001355529401 1067500223 /nfs/dbraw/zinc/50/02/23/1067500223.db2.gz HYKXPWHVSOYQSI-FQEVSTJZSA-N 1 1 458.393 4.370 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300049923 1067506757 /nfs/dbraw/zinc/50/67/57/1067506757.db2.gz LWYAITNKLQEXEJ-MJGOQNOKSA-N 1 1 463.573 4.176 20 0 JIADMO CC[C@@H](NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355545080 1067506896 /nfs/dbraw/zinc/50/68/96/1067506896.db2.gz KSLMPJIWOXUCBE-WOJBJXKFSA-N 1 1 456.493 4.084 20 0 JIADMO CC[C@@H](NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355545080 1067506914 /nfs/dbraw/zinc/50/69/14/1067506914.db2.gz KSLMPJIWOXUCBE-WOJBJXKFSA-N 1 1 456.493 4.084 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1OC ZINC001300051057 1067512149 /nfs/dbraw/zinc/51/21/49/1067512149.db2.gz WYVJNBAEIKRTIJ-FUHWJXTLSA-N 1 1 467.536 4.225 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300051119 1067513172 /nfs/dbraw/zinc/51/31/72/1067513172.db2.gz BZYIVAFROHCZGS-UZINWLIJSA-N 1 1 455.647 4.327 20 0 JIADMO O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001355606337 1067524227 /nfs/dbraw/zinc/52/42/27/1067524227.db2.gz XIZJTSVGYKHJHX-OALUTQOASA-N 1 1 454.423 4.419 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Cc1ccc(NC(=O)c2ncccc2OCC(F)(F)F)cc1NC(=O)C[NH+]1CCCCC1 ZINC001357210382 1067819176 /nfs/dbraw/zinc/81/91/76/1067819176.db2.gz UFESFOJKQCQKCR-UHFFFAOYSA-N 1 1 450.461 4.008 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300164717 1067822294 /nfs/dbraw/zinc/82/22/94/1067822294.db2.gz VRDWJROODLZECD-QGZVFWFLSA-N 1 1 487.446 4.413 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001492584890 1067823045 /nfs/dbraw/zinc/82/30/45/1067823045.db2.gz UXKAWFLTLMOKDB-PWWKTKHKSA-N 1 1 494.728 4.429 20 0 JIADMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC001357245866 1067823520 /nfs/dbraw/zinc/82/35/20/1067823520.db2.gz HGZBKBWIGMFQHE-VLCRHTCISA-N 1 1 458.647 4.094 20 0 JIADMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC001357245866 1067823521 /nfs/dbraw/zinc/82/35/21/1067823521.db2.gz HGZBKBWIGMFQHE-VLCRHTCISA-N 1 1 458.647 4.094 20 0 JIADMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC001357245867 1067823618 /nfs/dbraw/zinc/82/36/18/1067823618.db2.gz HGZBKBWIGMFQHE-YUXAGFNASA-N 1 1 458.647 4.094 20 0 JIADMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC001357245867 1067823619 /nfs/dbraw/zinc/82/36/19/1067823619.db2.gz HGZBKBWIGMFQHE-YUXAGFNASA-N 1 1 458.647 4.094 20 0 JIADMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC001357247724 1067824278 /nfs/dbraw/zinc/82/42/78/1067824278.db2.gz YYCMOAKBDUWUNW-HRFSGMKKSA-N 1 1 459.638 4.494 20 0 JIADMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC001357247724 1067824280 /nfs/dbraw/zinc/82/42/80/1067824280.db2.gz YYCMOAKBDUWUNW-HRFSGMKKSA-N 1 1 459.638 4.494 20 0 JIADMO Cc1nc(C[N@@H+]2CC[C@]3(C2)COCCN(C(=S)Nc2c(C)cccc2Cl)C3)cs1 ZINC001200191308 1067824726 /nfs/dbraw/zinc/82/47/26/1067824726.db2.gz ZUHQDYRRFOHNSN-OAQYLSRUSA-N 1 1 451.061 4.335 20 0 JIADMO Cc1nc(C[N@H+]2CC[C@]3(C2)COCCN(C(=S)Nc2c(C)cccc2Cl)C3)cs1 ZINC001200191308 1067824728 /nfs/dbraw/zinc/82/47/28/1067824728.db2.gz ZUHQDYRRFOHNSN-OAQYLSRUSA-N 1 1 451.061 4.335 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC001300169302 1067827235 /nfs/dbraw/zinc/82/72/35/1067827235.db2.gz DCRYTHKIUHZNDX-XZOQPEGZSA-N 1 1 455.647 4.246 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2CCCC[C@H]2C)cc1C ZINC001300169332 1067827529 /nfs/dbraw/zinc/82/75/29/1067827529.db2.gz DWRWMUGXCCTODG-FYYLOGMGSA-N 1 1 455.647 4.390 20 0 JIADMO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CC[N@H+]2CCc3sccc3C2)cc1O ZINC001300173782 1067833160 /nfs/dbraw/zinc/83/31/60/1067833160.db2.gz WRXPIXNBOHMOFY-UHFFFAOYSA-N 1 1 469.655 4.337 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@H]3CCOC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1F ZINC001300174366 1067833811 /nfs/dbraw/zinc/83/38/11/1067833811.db2.gz SHZJPNRSBYGMSV-TZIWHRDSSA-N 1 1 459.610 4.078 20 0 JIADMO C[C@@H](C[NH2+]Cc1cccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1)CN1CCN(C)CC1 ZINC001200203956 1067839281 /nfs/dbraw/zinc/83/92/81/1067839281.db2.gz LIYFXLUPKRALBI-FQEVSTJZSA-N 1 1 453.631 4.069 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001357364537 1067839349 /nfs/dbraw/zinc/83/93/49/1067839349.db2.gz CXQLNWOQGDYMRP-NHCUHLMSSA-N 1 1 459.631 4.459 20 0 JIADMO C[C@H](c1ccc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1)[NH+]1CCOCC1 ZINC001353057311 1067848017 /nfs/dbraw/zinc/84/80/17/1067848017.db2.gz VBEHLEMLAOHSRS-NFHUAXAMSA-N 1 1 459.949 4.030 20 0 JIADMO CCOC(=O)C[C@@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC001357434237 1067849495 /nfs/dbraw/zinc/84/94/95/1067849495.db2.gz FZVWPGUNKVTOKE-PZJWPPBQSA-N 1 1 459.384 4.082 20 0 JIADMO CC(C)(C)OC(=O)N1CCC([N@H+]2CC[C@H](NS(=O)(=O)c3ccc(Cl)c4ccccc43)C2)CC1 ZINC001200214798 1067851273 /nfs/dbraw/zinc/85/12/73/1067851273.db2.gz MJSGSTIUYADFGD-KRWDZBQOSA-N 1 1 494.057 4.245 20 0 JIADMO COc1ccc(Cn2c(C)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1Br ZINC001300190844 1067853427 /nfs/dbraw/zinc/85/34/27/1067853427.db2.gz YCZTVQPNXLHLJO-XLIONFOSSA-N 1 1 476.463 4.497 20 0 JIADMO COCCc1ccc(OC[C@H](O)CN2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)cc1 ZINC001473277693 1067854269 /nfs/dbraw/zinc/85/42/69/1067854269.db2.gz MRGPUEOTCJDLLS-AREMUKBSSA-N 1 1 452.639 4.136 20 0 JIADMO COCCc1ccc(OC[C@H](O)C[N@@H+]2CCN(Cc3ccccc3)C3(CCCCC3)C2)cc1 ZINC001473277693 1067854271 /nfs/dbraw/zinc/85/42/71/1067854271.db2.gz MRGPUEOTCJDLLS-AREMUKBSSA-N 1 1 452.639 4.136 20 0 JIADMO COCCc1ccc(OC[C@H](O)C[N@H+]2CCN(Cc3ccccc3)C3(CCCCC3)C2)cc1 ZINC001473277693 1067854272 /nfs/dbraw/zinc/85/42/72/1067854272.db2.gz MRGPUEOTCJDLLS-AREMUKBSSA-N 1 1 452.639 4.136 20 0 JIADMO CC(C)c1ncc(Br)c(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001357493397 1067858604 /nfs/dbraw/zinc/85/86/04/1067858604.db2.gz CXZRBLSBZGSBIT-NLWGTHIKSA-N 1 1 457.416 4.393 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001492557806 1067872944 /nfs/dbraw/zinc/87/29/44/1067872944.db2.gz XOBSUVAXMUGGSL-UHFFFAOYSA-N 1 1 455.006 4.049 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001492557806 1067872946 /nfs/dbraw/zinc/87/29/46/1067872946.db2.gz XOBSUVAXMUGGSL-UHFFFAOYSA-N 1 1 455.006 4.049 20 0 JIADMO CCC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)CC[N@H+]1Cc1ccccc1 ZINC001357607582 1067876613 /nfs/dbraw/zinc/87/66/13/1067876613.db2.gz CEFUJFVAVPCXRF-JTHBVZDNSA-N 1 1 451.636 4.275 20 0 JIADMO CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001357641688 1067881512 /nfs/dbraw/zinc/88/15/12/1067881512.db2.gz WMTDSXJOJFGQAI-UOAUAQBLSA-N 1 1 453.583 4.390 20 0 JIADMO 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 1067889229 /nfs/dbraw/zinc/88/92/29/1067889229.db2.gz SXWZDUXRHKIDAH-OHQAAIJDSA-N 1 1 457.384 4.247 20 0 JIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C(F)(F)c2ccccc2OCC(=O)N(C)C)cc1 ZINC001357711401 1067890047 /nfs/dbraw/zinc/89/00/47/1067890047.db2.gz JCJVHQODDOXCAF-SFHVURJKSA-N 1 1 459.537 4.259 20 0 JIADMO C[C@@H](CNC(=O)c1cc(Br)cc(Br)c1)[N@H+]1CCc2ccccc2C1 ZINC001357799658 1067902275 /nfs/dbraw/zinc/90/22/75/1067902275.db2.gz VYNBUXHYCKIIQU-ZDUSSCGKSA-N 1 1 452.190 4.388 20 0 JIADMO COc1ccc(C[C@@H](C)C(=O)Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)cc1OC ZINC001358011862 1067986310 /nfs/dbraw/zinc/98/63/10/1067986310.db2.gz SDXSWLRUKFAAQI-LJQANCHMSA-N 1 1 453.583 4.254 20 0 JIADMO COc1cc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cnc1Br ZINC001358039732 1068000960 /nfs/dbraw/zinc/00/09/60/1068000960.db2.gz NIBNXACRMAJVGR-PXAZEXFGSA-N 1 1 456.743 4.068 20 0 JIADMO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cnc1Br ZINC001358039732 1068000981 /nfs/dbraw/zinc/00/09/81/1068000981.db2.gz NIBNXACRMAJVGR-PXAZEXFGSA-N 1 1 456.743 4.068 20 0 JIADMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)[C@@H]3c3cnn(C)c3)c2C1 ZINC001358122920 1068024616 /nfs/dbraw/zinc/02/46/16/1068024616.db2.gz ZGFUUGSXCWAHJH-GBXCKJPGSA-N 1 1 451.615 4.109 20 0 JIADMO CN(C)c1cc(NC(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)cc[nH+]1 ZINC001358150175 1068031541 /nfs/dbraw/zinc/03/15/41/1068031541.db2.gz OMKDSPADWOIIEW-UHFFFAOYSA-N 1 1 453.340 4.344 20 0 JIADMO COc1ccc(OCc2nnc(N(C)Cc3cscn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300263904 1068031707 /nfs/dbraw/zinc/03/17/07/1068031707.db2.gz RZLKULLVVMHKKJ-NRFANRHFSA-N 1 1 470.643 4.079 20 0 JIADMO 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 1068039272 /nfs/dbraw/zinc/03/92/72/1068039272.db2.gz UDVNRLSSJMTHKO-YJLNNSPDSA-N 1 1 454.949 4.366 20 0 JIADMO COc1ccc(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300267388 1068039751 /nfs/dbraw/zinc/03/97/51/1068039751.db2.gz AQNZJFIJIMUQCY-ZJSXRUAMSA-N 1 1 485.673 4.095 20 0 JIADMO COc1ccc(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300272595 1068053836 /nfs/dbraw/zinc/05/38/36/1068053836.db2.gz XLEJCRUNKYWKRJ-VSKRKVRLSA-N 1 1 485.673 4.237 20 0 JIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)[C@@H](C)C1 ZINC001353376764 1068070400 /nfs/dbraw/zinc/07/04/00/1068070400.db2.gz RJEHEQSLQCPSJF-YWZLYKJASA-N 1 1 453.414 4.354 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001492565338 1068077729 /nfs/dbraw/zinc/07/77/29/1068077729.db2.gz COFLFPKJMWIZHL-NRFANRHFSA-N 1 1 455.647 4.148 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001492565338 1068077741 /nfs/dbraw/zinc/07/77/41/1068077741.db2.gz COFLFPKJMWIZHL-NRFANRHFSA-N 1 1 455.647 4.148 20 0 JIADMO CCC[C@H](C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)c1cccc(Cl)c1 ZINC001358385432 1068079904 /nfs/dbraw/zinc/07/99/04/1068079904.db2.gz PQOUTNNVJUNTRT-QHCPKHFHSA-N 1 1 457.018 4.073 20 0 JIADMO CCN(C(=O)c1cccc(F)c1I)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001358469827 1068099037 /nfs/dbraw/zinc/09/90/37/1068099037.db2.gz CIYZFEDIHOMTGT-INIZCTEOSA-N 1 1 452.311 4.167 20 0 JIADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001358489464 1068115303 /nfs/dbraw/zinc/11/53/03/1068115303.db2.gz YFKSXRBBPNHWCB-WOJBJXKFSA-N 1 1 450.023 4.456 20 0 JIADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001358489464 1068115357 /nfs/dbraw/zinc/11/53/57/1068115357.db2.gz YFKSXRBBPNHWCB-WOJBJXKFSA-N 1 1 450.023 4.456 20 0 JIADMO COc1ccc(Oc2ccc(CNCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)cc2)cc1 ZINC001200346638 1068166854 /nfs/dbraw/zinc/16/68/54/1068166854.db2.gz PNWQMKHPVVKGHL-DEOSSOPVSA-N 1 1 459.590 4.475 20 0 JIADMO COc1ccc(Oc2ccc(CNCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)cc2)cc1 ZINC001200346638 1068166905 /nfs/dbraw/zinc/16/69/05/1068166905.db2.gz PNWQMKHPVVKGHL-DEOSSOPVSA-N 1 1 459.590 4.475 20 0 JIADMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC001473433220 1068176460 /nfs/dbraw/zinc/17/64/60/1068176460.db2.gz RXNWLRWPECBSSC-QGZVFWFLSA-N 1 1 459.974 4.314 20 0 JIADMO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[N@@H+]1CC[C@@H](CCCO)C1 ZINC001473546817 1068234444 /nfs/dbraw/zinc/23/44/44/1068234444.db2.gz SVFYFKLGRSVLGM-OAHLLOKOSA-N 1 1 450.988 4.278 20 0 JIADMO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[N@H+]1CC[C@@H](CCCO)C1 ZINC001473546817 1068234485 /nfs/dbraw/zinc/23/44/85/1068234485.db2.gz SVFYFKLGRSVLGM-OAHLLOKOSA-N 1 1 450.988 4.278 20 0 JIADMO COCC(COC)[NH+]1CCN([C@@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)CC1 ZINC001473547392 1068236054 /nfs/dbraw/zinc/23/60/54/1068236054.db2.gz ZBQRMHLILBFXJB-IBGZPJMESA-N 1 1 457.018 4.078 20 0 JIADMO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)oc3cc(O)ccc23)C[C@H]1c1ccccc1F ZINC001473547768 1068237305 /nfs/dbraw/zinc/23/73/05/1068237305.db2.gz MYWWHVXNONMJCY-PZJWPPBQSA-N 1 1 454.498 4.130 20 0 JIADMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)oc3cc(O)ccc23)C[C@H]1c1ccccc1F ZINC001473547768 1068237347 /nfs/dbraw/zinc/23/73/47/1068237347.db2.gz MYWWHVXNONMJCY-PZJWPPBQSA-N 1 1 454.498 4.130 20 0 JIADMO CC(C)c1ccc([C@H](CNC(=O)Nc2ccn(CC(=O)N(C)C)n2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000513908188 1068249489 /nfs/dbraw/zinc/24/94/89/1068249489.db2.gz WBKBOROPUFXONF-QFIPXVFZSA-N 1 1 494.665 4.077 20 0 JIADMO CC(C)c1ccc([C@H](CNC(=O)Nc2ccn(CC(=O)N(C)C)n2)[N@H+]2CCc3sccc3C2)cc1 ZINC000513908188 1068249507 /nfs/dbraw/zinc/24/95/07/1068249507.db2.gz WBKBOROPUFXONF-QFIPXVFZSA-N 1 1 494.665 4.077 20 0 JIADMO COc1cccc(C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC001300329392 1068265490 /nfs/dbraw/zinc/26/54/90/1068265490.db2.gz AAXATVKZTBZWLO-NRFANRHFSA-N 1 1 469.674 4.012 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@@]3(O)CCCC3(C)C)CC2)c1 ZINC001300333723 1068292361 /nfs/dbraw/zinc/29/23/61/1068292361.db2.gz XEAKBYPTGTXKOO-HRFSGMKKSA-N 1 1 469.674 4.409 20 0 JIADMO 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RSKOEPZZVDEURK-VQTJNVASSA-N 1 1 455.603 4.368 20 0 JIADMO CCCN1CCN(c2ccc(NC(=O)[C@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2Cl)CC1 ZINC000849505591 1069087151 /nfs/dbraw/zinc/08/71/51/1069087151.db2.gz IIQDYUISKRRMRR-GOTSBHOMSA-N 1 1 487.092 4.058 20 0 JIADMO CCCN1CCN(c2ccc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2Cl)CC1 ZINC000849505591 1069087157 /nfs/dbraw/zinc/08/71/57/1069087157.db2.gz IIQDYUISKRRMRR-GOTSBHOMSA-N 1 1 487.092 4.058 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cn1 ZINC000849507273 1069087875 /nfs/dbraw/zinc/08/78/75/1069087875.db2.gz BTPLTIMNEXVUFZ-ZRBLBEILSA-N 1 1 467.411 4.124 20 0 JIADMO 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 1069088083 /nfs/dbraw/zinc/08/80/83/1069088083.db2.gz WYWUDKRDYTYMQM-FHLIZLRMSA-N 1 1 452.546 4.392 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cn1 ZINC000849507271 1069088093 /nfs/dbraw/zinc/08/80/93/1069088093.db2.gz BTPLTIMNEXVUFZ-YTFSRNRJSA-N 1 1 467.411 4.124 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC2(c3ccc(Br)cc3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849506751 1069088998 /nfs/dbraw/zinc/08/89/98/1069088998.db2.gz NNYYICCNPVPXNL-VXKWHMMOSA-N 1 1 473.459 4.235 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](C)CCc2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849507584 1069090023 /nfs/dbraw/zinc/09/00/23/1069090023.db2.gz QETHVLXZJYVIHC-WTNAPCKOSA-N 1 1 461.448 4.134 20 0 JIADMO CC(C)N(Cc1cccc(Br)c1)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849509370 1069090716 /nfs/dbraw/zinc/09/07/16/1069090716.db2.gz LYQNARJVXPGXLS-FGZHOGPDSA-N 1 1 461.448 4.434 20 0 JIADMO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)C)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001492575051 1069091199 /nfs/dbraw/zinc/09/11/99/1069091199.db2.gz GXMKPIKTWCKBIG-XMMPIXPASA-N 1 1 494.728 4.188 20 0 JIADMO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849510036 1069091855 /nfs/dbraw/zinc/09/18/55/1069091855.db2.gz GJZXNYYLXXNVPI-ZTCOLXNVSA-N 1 1 465.642 4.196 20 0 JIADMO CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849513381 1069096429 /nfs/dbraw/zinc/09/64/29/1069096429.db2.gz SAYPGGNZUZGSQQ-ZEQRLZLVSA-N 1 1 467.589 4.121 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849514172 1069097834 /nfs/dbraw/zinc/09/78/34/1069097834.db2.gz AEZWEHRWODGAJE-IZZNHLLZSA-N 1 1 463.601 4.040 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849513481 1069098296 /nfs/dbraw/zinc/09/82/96/1069098296.db2.gz SNPADWHJEVLGKQ-UIOOFZCWSA-N 1 1 458.606 4.152 20 0 JIADMO 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 1069099030 /nfs/dbraw/zinc/09/90/30/1069099030.db2.gz LRZKAZJWOKWGCP-NHCUHLMSSA-N 1 1 474.531 4.386 20 0 JIADMO Cc1ccc(C(=O)Nc2ccc(OC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)cc1 ZINC000849514509 1069099264 /nfs/dbraw/zinc/09/92/64/1069099264.db2.gz BXSOGNMSTRIGLV-LOSJGSFVSA-N 1 1 460.578 4.400 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849514871 1069099614 /nfs/dbraw/zinc/09/96/14/1069099614.db2.gz AZNYZBBQQHQLFT-WOJBJXKFSA-N 1 1 462.063 4.079 20 0 JIADMO COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1OC ZINC000849516213 1069100971 /nfs/dbraw/zinc/10/09/71/1069100971.db2.gz ORYKWJASEVTVPZ-CCDWMCETSA-N 1 1 482.669 4.265 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849516290 1069101834 /nfs/dbraw/zinc/10/18/34/1069101834.db2.gz HMMCAVRMGFXUSW-GRYUFTJMSA-N 1 1 473.621 4.364 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)cn1 ZINC000849515614 1069102620 /nfs/dbraw/zinc/10/26/20/1069102620.db2.gz MFACATKPMFTGSO-WOJBJXKFSA-N 1 1 464.591 4.017 20 0 JIADMO Cc1cccc(-c2cc(NC(=O)[C@@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)n(-c3ccccc3)n2)c1 ZINC000849517454 1069103406 /nfs/dbraw/zinc/10/34/06/1069103406.db2.gz NXLFGPXPLUQFNY-DNQXCXABSA-N 1 1 454.578 4.255 20 0 JIADMO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518231 1069105060 /nfs/dbraw/zinc/10/50/60/1069105060.db2.gz QKYIWPBVRJVKAI-CLJLJLNGSA-N 1 1 494.684 4.077 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518231 1069105066 /nfs/dbraw/zinc/10/50/66/1069105066.db2.gz QKYIWPBVRJVKAI-CLJLJLNGSA-N 1 1 494.684 4.077 20 0 JIADMO 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 1069105213 /nfs/dbraw/zinc/10/52/13/1069105213.db2.gz ANUOAMVCCFIXME-VQTJNVASSA-N 1 1 493.574 4.129 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849517999 1069106076 /nfs/dbraw/zinc/10/60/76/1069106076.db2.gz MQZZDHCDHDSXMQ-RPWUZVMVSA-N 1 1 463.651 4.497 20 0 JIADMO Cc1c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cccc1C(=O)Nc1ccccc1 ZINC000849520084 1069112055 /nfs/dbraw/zinc/11/20/55/1069112055.db2.gz VPFRDDQRQUWIHO-BJKOFHAPSA-N 1 1 459.594 4.433 20 0 JIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3nnc(Cc4cccc(F)c4)s3)CC2)cc1 ZINC000504190825 1069113289 /nfs/dbraw/zinc/11/32/89/1069113289.db2.gz OFVOMJAOUREQKE-UHFFFAOYSA-N 1 1 455.559 4.016 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849520678 1069113344 /nfs/dbraw/zinc/11/33/44/1069113344.db2.gz YMDDKTAHGBRYMF-BJKOFHAPSA-N 1 1 466.630 4.281 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)cn1 ZINC000849520619 1069113412 /nfs/dbraw/zinc/11/34/12/1069113412.db2.gz XRLJWKHLXZVURF-VQTJNVASSA-N 1 1 470.371 4.044 20 0 JIADMO COc1cccc(Cn2c3ccccc3nc2NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849522081 1069114757 /nfs/dbraw/zinc/11/47/57/1069114757.db2.gz WZGICGUOHRKWKB-BJKOFHAPSA-N 1 1 486.620 4.279 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849522703 1069116615 /nfs/dbraw/zinc/11/66/15/1069116615.db2.gz NKRSJHYAQPQGCY-IRLDBZIGSA-N 1 1 472.033 4.152 20 0 JIADMO CC(C)COc1ccc(C(C)(C)CNC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849524312 1069117283 /nfs/dbraw/zinc/11/72/83/1069117283.db2.gz ZULUTIADWVZCRI-JWQCQUIFSA-N 1 1 454.659 4.363 20 0 JIADMO 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 1069118097 /nfs/dbraw/zinc/11/80/97/1069118097.db2.gz LQHPQSWSMNRWPM-ZTFGCOKTSA-N 1 1 451.384 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849526287 1069120109 /nfs/dbraw/zinc/12/01/09/1069120109.db2.gz RJSDIFTWQGSEGC-DNQXCXABSA-N 1 1 495.668 4.238 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849526336 1069121010 /nfs/dbraw/zinc/12/10/10/1069121010.db2.gz SDXAKISNQVBELQ-VXKWHMMOSA-N 1 1 492.495 4.322 20 0 JIADMO COc1ccccc1Cc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001300582435 1069122012 /nfs/dbraw/zinc/12/20/12/1069122012.db2.gz ICPLRTBOOVGYSK-VSKRKVRLSA-N 1 1 455.647 4.003 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849525624 1069122417 /nfs/dbraw/zinc/12/24/17/1069122417.db2.gz RFSHWVDHYOVOSI-ISKFKSNPSA-N 1 1 451.590 4.261 20 0 JIADMO CC/C(=C\C(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC001354339523 1069123322 /nfs/dbraw/zinc/12/33/22/1069123322.db2.gz YAOMUMMJUIUJOX-QIDLBESASA-N 1 1 451.998 4.255 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849526676 1069126159 /nfs/dbraw/zinc/12/61/59/1069126159.db2.gz SQXBXODIPCZBFP-MAODMQOUSA-N 1 1 479.488 4.294 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849535249 1069148226 /nfs/dbraw/zinc/14/82/26/1069148226.db2.gz OJWPCPVJYODWFO-LOSJGSFVSA-N 1 1 486.682 4.120 20 0 JIADMO CN(C)C(=O)COc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001354382437 1069159864 /nfs/dbraw/zinc/15/98/64/1069159864.db2.gz LPLABRVTOFHNJW-DHIUTWEWSA-N 1 1 463.603 4.069 20 0 JIADMO COc1ccccc1CCn1c(Cc2ccsc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300593381 1069163446 /nfs/dbraw/zinc/16/34/46/1069163446.db2.gz OAXSTOKMBUTGPK-UHFFFAOYSA-N 1 1 453.656 4.492 20 0 JIADMO COc1ccc(CCN(CC(C)(C)C)C(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849546294 1069180933 /nfs/dbraw/zinc/18/09/33/1069180933.db2.gz AKLHEMQEBLKWDK-DQEYMECFSA-N 1 1 454.659 4.360 20 0 JIADMO COc1ccccc1CN(C[C@H]1CCCO1)c1nnc(C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300600195 1069185864 /nfs/dbraw/zinc/18/58/64/1069185864.db2.gz VRAPZFOVWCVVHV-ISKFKSNPSA-N 1 1 455.647 4.149 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2nc(-c3cccc(Oc4ccccc4)c3)ns2)cn1 ZINC000849548284 1069185799 /nfs/dbraw/zinc/18/57/99/1069185799.db2.gz MQJFQUMDFRQTSY-FCHUYYIVSA-N 1 1 474.590 4.405 20 0 JIADMO CN(Cc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)C(=O)c1cc2ccccc2o1 ZINC000849550471 1069189257 /nfs/dbraw/zinc/18/92/57/1069189257.db2.gz XQNPLDOWHAMGAV-PKTZIBPZSA-N 1 1 485.588 4.113 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCc2ccccc2COc2ccccc2Cl)cn1 ZINC000849550392 1069189579 /nfs/dbraw/zinc/18/95/79/1069189579.db2.gz DFUVDMZULAHUSN-VXKWHMMOSA-N 1 1 452.986 4.004 20 0 JIADMO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849550075 1069189603 /nfs/dbraw/zinc/18/96/03/1069189603.db2.gz BKERQMMFZPPEGE-NHCUHLMSSA-N 1 1 460.557 4.095 20 0 JIADMO COc1cccc(-n2c3ccccc3nc2NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849551309 1069190615 /nfs/dbraw/zinc/19/06/15/1069190615.db2.gz AIYUXZBJJAVQHN-XZOQPEGZSA-N 1 1 472.593 4.220 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849549982 1069190651 /nfs/dbraw/zinc/19/06/51/1069190651.db2.gz XDKRAEVQIVCMAV-RTWAWAEBSA-N 1 1 460.504 4.077 20 0 JIADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000849550535 1069191860 /nfs/dbraw/zinc/19/18/60/1069191860.db2.gz ZGGNWKCVCZTTKH-NHCUHLMSSA-N 1 1 473.499 4.325 20 0 JIADMO COc1ccccc1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849551956 1069193794 /nfs/dbraw/zinc/19/37/94/1069193794.db2.gz LRJHEWIZJROEDX-SNYIIPAISA-N 1 1 452.986 4.023 20 0 JIADMO Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849552806 1069195934 /nfs/dbraw/zinc/19/59/34/1069195934.db2.gz GTQJALFMKYCECR-FGZHOGPDSA-N 1 1 450.549 4.176 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC2(c3cccc(Br)c3)CCCCC2)cn1 ZINC000849554016 1069198255 /nfs/dbraw/zinc/19/82/55/1069198255.db2.gz LFHBPTNJBBMLMA-FGZHOGPDSA-N 1 1 473.459 4.236 20 0 JIADMO COc1ccc(-n2c3ccccc3nc2NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849555726 1069201879 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ZINC000849599816 1069256839 /nfs/dbraw/zinc/25/68/39/1069256839.db2.gz BLGUGKFMCKKVBD-NKKJXINNSA-N 1 1 467.658 4.117 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849599678 1069257147 /nfs/dbraw/zinc/25/71/47/1069257147.db2.gz BGCFYPLSYLPMSJ-MOPGFXCFSA-N 1 1 492.571 4.334 20 0 JIADMO COc1cccc(Sc2ccc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)nc2)c1 ZINC000849608023 1069264589 /nfs/dbraw/zinc/26/45/89/1069264589.db2.gz MDCYTBHWNFTISC-XZOQPEGZSA-N 1 1 465.623 4.428 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849610761 1069272179 /nfs/dbraw/zinc/27/21/79/1069272179.db2.gz OACJSXUBKQXXSF-PKOBYXMFSA-N 1 1 459.566 4.198 20 0 JIADMO COc1ccccc1OCc1nnc(N(C)Cc2nccs2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001300629772 1069272784 /nfs/dbraw/zinc/27/27/84/1069272784.db2.gz DAIRNTAFBUNRTK-IBGZPJMESA-N 1 1 470.643 4.079 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)[C@@H](c2cnn(C)c2)C1 ZINC000849612651 1069275144 /nfs/dbraw/zinc/27/51/44/1069275144.db2.gz MPXGSUUVRGPWNW-RBUKOAKNSA-N 1 1 459.497 4.129 20 0 JIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)cc1 ZINC001354529718 1069305005 /nfs/dbraw/zinc/30/50/05/1069305005.db2.gz OTQGVQJACCYVFF-RDPSFJRHSA-N 1 1 451.567 4.037 20 0 JIADMO c1ccc(C[N@H+]2C[C@H]3CCCN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)[C@@H]3C2)cc1 ZINC001164627351 719084828 /nfs/dbraw/zinc/08/48/28/719084828.db2.gz QNZRJXDDABYCRJ-RCZVLFRGSA-N 1 1 455.610 4.025 20 0 JIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)CC2 ZINC001164646857 719308818 /nfs/dbraw/zinc/30/88/18/719308818.db2.gz JBTQLAAXPBPZMA-UHFFFAOYSA-N 1 1 452.912 4.369 20 0 JIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)CC2 ZINC001164647606 719311072 /nfs/dbraw/zinc/31/10/72/719311072.db2.gz DKSOJFPTMNGQRA-UHFFFAOYSA-N 1 1 452.912 4.369 20 0 JIADMO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(N3CCCC3)nc(C)[nH+]1)CC2 ZINC001164664069 719345966 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GUUBESNEZUFXKB-SFHVURJKSA-N 1 1 489.045 4.112 20 0 JIADMO c1csc(C[N@H+]2CCOC3(CCN(c4ncnc5c4ccn5Cc4ccccc4)CC3)C2)c1 ZINC001164698353 719893484 /nfs/dbraw/zinc/89/34/84/719893484.db2.gz RVCPMYYNYOQPPR-UHFFFAOYSA-N 1 1 459.619 4.413 20 0 JIADMO CC(C)(C)OC(=O)Nc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c2[nH]cnc21 ZINC001164697635 719897168 /nfs/dbraw/zinc/89/71/68/719897168.db2.gz MIGPJHJKDGLUQJ-UHFFFAOYSA-N 1 1 484.626 4.238 20 0 JIADMO CCO[C@@H]1CN(c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)[C@@H]2CCCO[C@@H]12 ZINC001164713619 720063807 /nfs/dbraw/zinc/06/38/07/720063807.db2.gz NWDWKNHKKAGGRM-DNVFCKCGSA-N 1 1 456.656 4.185 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1cccc(Cl)n1)CC2 ZINC001164719533 720108822 /nfs/dbraw/zinc/10/88/22/720108822.db2.gz YOSGXUGRYQPIRY-SFHVURJKSA-N 1 1 452.933 4.062 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CCCCC3)CC2 ZINC001164714190 720114915 /nfs/dbraw/zinc/11/49/15/720114915.db2.gz ALSSEVYPCKODKC-FQEVSTJZSA-N 1 1 456.034 4.301 20 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COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)C2 ZINC001164819808 720170269 /nfs/dbraw/zinc/17/02/69/720170269.db2.gz YITLWXSMDITWAH-HRFSGMKKSA-N 1 1 475.662 4.427 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3cccnc3)nc3sc4c(c31)CCC4)C2 ZINC001164819803 720170827 /nfs/dbraw/zinc/17/08/27/720170827.db2.gz YITLWXSMDITWAH-CCLHPLFOSA-N 1 1 475.662 4.427 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3cnccn3)nc3sc4c(c31)CCCC4)C2 ZINC001164816809 720184995 /nfs/dbraw/zinc/18/49/95/720184995.db2.gz MUVCDFUXIKSSFW-XHCCPWGMSA-N 1 1 490.677 4.212 20 0 JIADMO CCc1cccc(Oc2nc(Cl)ncc2N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1 ZINC001164818568 720245276 /nfs/dbraw/zinc/24/52/76/720245276.db2.gz ZMWFIDFYASUCGA-UHFFFAOYSA-N 1 1 483.016 4.292 20 0 JIADMO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)cs1 ZINC001164816411 720257778 /nfs/dbraw/zinc/25/77/78/720257778.db2.gz IVSIUYNLOYZZRT-WOJBJXKFSA-N 1 1 496.706 4.439 20 0 JIADMO Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)cs1 ZINC001164816405 720257929 /nfs/dbraw/zinc/25/79/29/720257929.db2.gz IVSIUYNLOYZZRT-PMACEKPBSA-N 1 1 496.706 4.439 20 0 JIADMO Cc1nc(CO[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)[C@@H]3CCCO[C@H]23)cs1 ZINC001164820394 720388556 /nfs/dbraw/zinc/38/85/56/720388556.db2.gz AOAPINLKRIEZRL-SLQPCKNISA-N 1 1 476.646 4.358 20 0 JIADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164732919 720439653 /nfs/dbraw/zinc/43/96/53/720439653.db2.gz OUUHVCHTBGTWJO-RTWAWAEBSA-N 1 1 450.656 4.398 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nc(Cc4ccccc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842023 720532468 /nfs/dbraw/zinc/53/24/68/720532468.db2.gz WEHZURIXKKLNAS-BHIFYINESA-N 1 1 451.018 4.295 20 0 JIADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839000 720538004 /nfs/dbraw/zinc/53/80/04/720538004.db2.gz PMAHWZFSGUYHDV-DBXWQHBBSA-N 1 1 483.016 4.034 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3ccn4Cc3ccccc3)CC[C@@H]21 ZINC001164837326 720556410 /nfs/dbraw/zinc/55/64/10/720556410.db2.gz LTBFDOASEUTVAV-CUYJMHBOSA-N 1 1 455.610 4.054 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837292 720580582 /nfs/dbraw/zinc/58/05/82/720580582.db2.gz HXBSQWXCIXHYSK-LLGFUMIMSA-N 1 1 476.959 4.282 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4ccccn4)nc4sccc43)CC[C@@H]21 ZINC001164838773 720631741 /nfs/dbraw/zinc/63/17/41/720631741.db2.gz LSDVJKLHMQDYHG-IPJJNNNSSA-N 1 1 459.623 4.328 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cnc(Cl)nc3Oc3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843130 720643367 /nfs/dbraw/zinc/64/33/67/720643367.db2.gz WNFYDKKYPOTIAM-SVFBPWRDSA-N 1 1 452.990 4.497 20 0 JIADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738563 720657750 /nfs/dbraw/zinc/65/77/50/720657750.db2.gz KMUQQKXLBGSEKB-UXHICEINSA-N 1 1 457.912 4.079 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncccc1C(=O)NC1CCCCC1)CC2 ZINC001164839930 720665774 /nfs/dbraw/zinc/66/57/74/720665774.db2.gz KYUDJGFICWZVHD-XMMPIXPASA-N 1 1 462.638 4.404 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)CC2 ZINC001164844484 720689816 /nfs/dbraw/zinc/68/98/16/720689816.db2.gz SHQYKABYKKXLLF-SFTDATJTSA-N 1 1 497.043 4.439 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)CC2 ZINC001164840498 720699274 /nfs/dbraw/zinc/69/92/74/720699274.db2.gz FPILNTNLEOEJEM-RUZDIDTESA-N 1 1 499.663 4.184 20 0 JIADMO Cc1cc2nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc(N3CCOCC3)c2s1 ZINC001164843224 720699546 /nfs/dbraw/zinc/69/95/46/720699546.db2.gz NFMROKANSGXSTI-JOCHJYFZSA-N 1 1 493.677 4.096 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164840298 720717024 /nfs/dbraw/zinc/71/70/24/720717024.db2.gz ORTULFCKYOZQNU-MBSDFSHPSA-N 1 1 484.950 4.195 20 0 JIADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164736878 720719390 /nfs/dbraw/zinc/71/93/90/720719390.db2.gz CADZPVSSENPBCJ-FPOVZHCZSA-N 1 1 488.979 4.091 20 0 JIADMO O=C1CCCC2(CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)CC2)N1 ZINC001164838019 720733526 /nfs/dbraw/zinc/73/35/26/720733526.db2.gz PUOPWPOHMAPUET-UHFFFAOYSA-N 1 1 453.656 4.195 20 0 JIADMO c1csc(-c2nc3sc4c(c3c(N3CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C3)n2)CCC4)c1 ZINC001164738265 720763885 /nfs/dbraw/zinc/76/38/85/720763885.db2.gz FIFWHKANGNRCFG-CVEARBPZSA-N 1 1 476.631 4.040 20 0 JIADMO Fc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164748757 720787797 /nfs/dbraw/zinc/78/77/97/720787797.db2.gz RIAUPENIMZSGJX-RTBURBONSA-N 1 1 475.902 4.218 20 0 JIADMO Fc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164748757 720787806 /nfs/dbraw/zinc/78/78/06/720787806.db2.gz RIAUPENIMZSGJX-RTBURBONSA-N 1 1 475.902 4.218 20 0 JIADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cnc1Cl ZINC001164742771 720790244 /nfs/dbraw/zinc/79/02/44/720790244.db2.gz DUNXEEMDXZONPK-SJORKVTESA-N 1 1 475.902 4.218 20 0 JIADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cnc1Cl ZINC001164742771 720790252 /nfs/dbraw/zinc/79/02/52/720790252.db2.gz DUNXEEMDXZONPK-SJORKVTESA-N 1 1 475.902 4.218 20 0 JIADMO 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 720845925 /nfs/dbraw/zinc/84/59/25/720845925.db2.gz LAALRLOQAOCMOY-PWRODBHTSA-N 1 1 451.663 4.043 20 0 JIADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748134 720854358 /nfs/dbraw/zinc/85/43/58/720854358.db2.gz KKLITVKSESZKEQ-IEIRFRATSA-N 1 1 499.997 4.313 20 0 JIADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164743884 720854658 /nfs/dbraw/zinc/85/46/58/720854658.db2.gz ARZGMJFUVSVLHP-MPYJOUPCSA-N 1 1 498.679 4.105 20 0 JIADMO c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748751 720857716 /nfs/dbraw/zinc/85/77/16/720857716.db2.gz LXQXWLBVIGFYLC-PRVBGKCFSA-N 1 1 495.631 4.180 20 0 JIADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744664 720859059 /nfs/dbraw/zinc/85/90/59/720859059.db2.gz CDKFYCZGECMEKT-FDFHNCONSA-N 1 1 494.043 4.456 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(OC)cc4)nc4ccc(Cl)cc43)CC[C@@H]2C1 ZINC001164859670 720861902 /nfs/dbraw/zinc/86/19/02/720861902.db2.gz VEJUOQMMNGOETL-NTKDMRAZSA-N 1 1 483.012 4.132 20 0 JIADMO COc1ccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164749030 720868796 /nfs/dbraw/zinc/86/87/96/720868796.db2.gz GGNXCVGBHIHBJH-ZBLYBZFDSA-N 1 1 494.039 4.442 20 0 JIADMO Clc1ccnc2c1ccnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747264 720876254 /nfs/dbraw/zinc/87/62/54/720876254.db2.gz AYJCGKZUBTUZKC-QFQXNSOFSA-N 1 1 464.013 4.433 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4cccs4)nc4sc(C)c(C)c43)CC[C@@H]2C1 ZINC001164863111 720876341 /nfs/dbraw/zinc/87/63/41/720876341.db2.gz SNTWTLBHYOWVJE-QZTJIDSGSA-N 1 1 458.653 4.210 20 0 JIADMO c1ccc(Oc2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)cc1 ZINC001164754558 720877869 /nfs/dbraw/zinc/87/78/69/720877869.db2.gz SAWBGYDYHFUANM-RBJSKKJNSA-N 1 1 471.605 4.419 20 0 JIADMO COc1ccc2c(ccnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164752968 720879452 /nfs/dbraw/zinc/87/94/52/720879452.db2.gz OADBZNDJSBWVFB-CUBQBAPOSA-N 1 1 458.606 4.394 20 0 JIADMO Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(Cl)n1 ZINC001164757201 720882860 /nfs/dbraw/zinc/88/28/60/720882860.db2.gz UHSSROZWASTDOP-OFNKIYASSA-N 1 1 477.987 4.133 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)CC[C@@H]2C1 ZINC001164862191 720884098 /nfs/dbraw/zinc/88/40/98/720884098.db2.gz RDWJNNSSCKUDSO-UTKZUKDTSA-N 1 1 469.935 4.260 20 0 JIADMO COc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(Cl)nc2c1 ZINC001164757141 720885108 /nfs/dbraw/zinc/88/51/08/720885108.db2.gz SWUUAKTYQJTABU-KDYSTLNUSA-N 1 1 494.039 4.442 20 0 JIADMO Clc1cnc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c1 ZINC001164753501 720886262 /nfs/dbraw/zinc/88/62/62/720886262.db2.gz HDAVLHCEMNQWIR-NVQXNPDNSA-N 1 1 464.013 4.433 20 0 JIADMO Clc1cc(C2CC2)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755022 720891984 /nfs/dbraw/zinc/89/19/84/720891984.db2.gz KHMZRHXQDPTNCC-SQJMNOBHSA-N 1 1 454.018 4.158 20 0 JIADMO CC(C)(C)Oc1cccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757129 720894557 /nfs/dbraw/zinc/89/45/57/720894557.db2.gz STNGREVHRDVACM-WNCULLNHSA-N 1 1 450.627 4.409 20 0 JIADMO Clc1ccc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164757160 720895066 /nfs/dbraw/zinc/89/50/66/720895066.db2.gz TUAOBIPGWXFUPE-BKMJKUGQSA-N 1 1 464.013 4.433 20 0 JIADMO COC(=O)c1cc2ccccc2nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756948 720897240 /nfs/dbraw/zinc/89/72/40/720897240.db2.gz SLMGZMRBNWISGH-PWUYWRBVSA-N 1 1 486.616 4.172 20 0 JIADMO CCCN(CCC)c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164757483 720898878 /nfs/dbraw/zinc/89/88/78/720898878.db2.gz VDLHZUYJKTXXOU-LBNVMWSVSA-N 1 1 478.685 4.253 20 0 JIADMO COc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccccc21 ZINC001164751767 720899259 /nfs/dbraw/zinc/89/92/59/720899259.db2.gz DLHYRYSGXVHRCF-QDPGVEIFSA-N 1 1 458.606 4.394 20 0 JIADMO CN(C)c1ccc(-c2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164753990 720901829 /nfs/dbraw/zinc/90/18/29/720901829.db2.gz IBLCTOLUHGCRJF-VIZCGCQYSA-N 1 1 498.675 4.360 20 0 JIADMO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755330 720902197 /nfs/dbraw/zinc/90/21/97/720902197.db2.gz KZSIFOKGKBADAL-XMSQKQJNSA-N 1 1 496.027 4.114 20 0 JIADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ncnc4sc5c(c42)CCC5)C3)c1 ZINC001164753633 720908714 /nfs/dbraw/zinc/90/87/14/720908714.db2.gz RSIHHNLMUBGSIC-KDYSTLNUSA-N 1 1 475.662 4.330 20 0 JIADMO Fc1ccc(-c2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)cc1 ZINC001164751299 720916754 /nfs/dbraw/zinc/91/67/54/720916754.db2.gz LDNRPWAXEHUSMU-YWEHKCAJSA-N 1 1 473.596 4.433 20 0 JIADMO COc1ccc(-c2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)cc1 ZINC001164753169 720917087 /nfs/dbraw/zinc/91/70/87/720917087.db2.gz QQOMCNWDLYWOHE-VAVYLYDRSA-N 1 1 485.632 4.302 20 0 JIADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cncc(OCC4CCCC4)n2)C3)c1 ZINC001164748459 720934162 /nfs/dbraw/zinc/93/41/62/720934162.db2.gz GEQOWLFOAFUQLA-LSYYVWMOSA-N 1 1 477.653 4.196 20 0 JIADMO CCc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)nc1C ZINC001164748426 720936071 /nfs/dbraw/zinc/93/60/71/720936071.db2.gz GBKIGUNVAKHIIM-OFVILXPXSA-N 1 1 456.034 4.151 20 0 JIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)[C@H]2C ZINC001164861950 720988513 /nfs/dbraw/zinc/98/85/13/720988513.db2.gz RPWYRLVGYLHYSP-AWEZNQCLSA-N 1 1 450.921 4.326 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@@H]43)c2c1C ZINC001164762683 721008277 /nfs/dbraw/zinc/00/82/77/721008277.db2.gz WFTDKYMKKUDFBT-FSSWDIPSSA-N 1 1 479.650 4.109 20 0 JIADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164862031 721031786 /nfs/dbraw/zinc/03/17/86/721031786.db2.gz KIISIURRINZXSG-UHFFFAOYSA-N 1 1 454.912 4.451 20 0 JIADMO Clc1cc2nc(Cl)c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2cc1Cl ZINC001164866055 721068436 /nfs/dbraw/zinc/06/84/36/721068436.db2.gz CCYRNMZRNMZBLU-HUUCEWRRSA-N 1 1 464.784 4.465 20 0 JIADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880691 721148575 /nfs/dbraw/zinc/14/85/75/721148575.db2.gz XCRGIUOBYSXGQX-UXHICEINSA-N 1 1 471.939 4.217 20 0 JIADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880690 721150100 /nfs/dbraw/zinc/15/01/00/721150100.db2.gz XCRGIUOBYSXGQX-PMACEKPBSA-N 1 1 471.939 4.217 20 0 JIADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880730 721171671 /nfs/dbraw/zinc/17/16/71/721171671.db2.gz XJEHEBHANDRTMX-LEWJYISDSA-N 1 1 471.939 4.217 20 0 JIADMO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879139 721174489 /nfs/dbraw/zinc/17/44/89/721174489.db2.gz RXNLUDLJNJCTCM-HUUCEWRRSA-N 1 1 462.850 4.173 20 0 JIADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867819 721185453 /nfs/dbraw/zinc/18/54/53/721185453.db2.gz IIGAFUISFNTZTA-RBBKRZOGSA-N 1 1 465.985 4.359 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C[C@@H]3C2)cn1 ZINC001164761245 721189457 /nfs/dbraw/zinc/18/94/57/721189457.db2.gz AINKDCSJJFEGPN-STQMWFEESA-N 1 1 450.748 4.279 20 0 JIADMO CCc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001164767886 721242472 /nfs/dbraw/zinc/24/24/72/721242472.db2.gz WWMDTBYFNOJDIT-UXHICEINSA-N 1 1 452.990 4.177 20 0 JIADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164768918 721245225 /nfs/dbraw/zinc/24/52/25/721245225.db2.gz YMZBXXYMARHSSR-VQTJNVASSA-N 1 1 472.971 4.342 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(-c5ccc(F)cc5)nnc4Cl)C[C@H]3C2)cn1 ZINC001164759778 721247290 /nfs/dbraw/zinc/24/72/90/721247290.db2.gz BQZVATRJFIWLCR-ZWKOTPCHSA-N 1 1 476.934 4.173 20 0 JIADMO CCN1CC[C@]2(CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2C)C1=O ZINC001164778308 721320576 /nfs/dbraw/zinc/32/05/76/721320576.db2.gz OYRQJBGPXVPHAG-HFJWLAOPSA-N 1 1 467.683 4.251 20 0 JIADMO CCN1CC[C@]2(CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CC[C@H](C)C5)C[C@H]2C)C1=O ZINC001164778372 721320656 /nfs/dbraw/zinc/32/06/56/721320656.db2.gz PRYNSXFLOUNDBM-DSNGTPCMSA-N 1 1 481.710 4.497 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c(F)cccc43)C2)C1 ZINC001164779253 721347866 /nfs/dbraw/zinc/34/78/66/721347866.db2.gz RWNDGAGSTBQUGL-HSZRJFAPSA-N 1 1 459.953 4.146 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4c[nH]c5ccccc54)n3)C2)C1 ZINC001164779792 721348971 /nfs/dbraw/zinc/34/89/71/721348971.db2.gz WRHXSVOUPPMQFZ-MHZLTWQESA-N 1 1 472.593 4.349 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(-c4c[nH]c5ccccc54)n3)C2)C1 ZINC001164779792 721348977 /nfs/dbraw/zinc/34/89/77/721348977.db2.gz WRHXSVOUPPMQFZ-MHZLTWQESA-N 1 1 472.593 4.349 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001164779085 721350213 /nfs/dbraw/zinc/35/02/13/721350213.db2.gz QLBYKUVPNGAKDN-QFIPXVFZSA-N 1 1 479.959 4.485 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001164779085 721350215 /nfs/dbraw/zinc/35/02/15/721350215.db2.gz QLBYKUVPNGAKDN-QFIPXVFZSA-N 1 1 479.959 4.485 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001164779084 721350573 /nfs/dbraw/zinc/35/05/73/721350573.db2.gz QLBYKUVPNGAKDN-JOCHJYFZSA-N 1 1 479.959 4.485 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001164779084 721350579 /nfs/dbraw/zinc/35/05/79/721350579.db2.gz QLBYKUVPNGAKDN-JOCHJYFZSA-N 1 1 479.959 4.485 20 0 JIADMO CCOc1cc2ncnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2cc1OCC ZINC001164779771 721350739 /nfs/dbraw/zinc/35/07/39/721350739.db2.gz WIZQHCALCGAAIG-HHHXNRCGSA-N 1 1 495.624 4.151 20 0 JIADMO COc1ccc(C(F)(F)N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1Cl ZINC001164777856 721355230 /nfs/dbraw/zinc/35/52/30/721355230.db2.gz JIHWJTKDLWZEQK-NRFANRHFSA-N 1 1 470.948 4.012 20 0 JIADMO COc1ccc(C(F)(F)N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1Cl ZINC001164777856 721355235 /nfs/dbraw/zinc/35/52/35/721355235.db2.gz JIHWJTKDLWZEQK-NRFANRHFSA-N 1 1 470.948 4.012 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(Cc4ccccc4)n3)C2)C1 ZINC001164786032 721360987 /nfs/dbraw/zinc/36/09/87/721360987.db2.gz UVXGMQBLDPZVPK-SANMLTNESA-N 1 1 482.028 4.445 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(Cc4ccccc4)n3)C2)C1 ZINC001164786032 721360989 /nfs/dbraw/zinc/36/09/89/721360989.db2.gz UVXGMQBLDPZVPK-SANMLTNESA-N 1 1 482.028 4.445 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164787035 721361871 /nfs/dbraw/zinc/36/18/71/721361871.db2.gz XPHVRCNRCXYRAF-RUZDIDTESA-N 1 1 467.545 4.132 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164787035 721361875 /nfs/dbraw/zinc/36/18/75/721361875.db2.gz XPHVRCNRCXYRAF-RUZDIDTESA-N 1 1 467.545 4.132 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(F)cc4ncnc(Cl)c43)C2)C1 ZINC001164787030 721363231 /nfs/dbraw/zinc/36/32/31/721363231.db2.gz XKZFWNJVPFZQEI-HSZRJFAPSA-N 1 1 459.953 4.146 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3ccn4C(C)C)C2)C1 ZINC001164785159 721364310 /nfs/dbraw/zinc/36/43/10/721364310.db2.gz SCZJDEBIAKWBIX-XMMPIXPASA-N 1 1 473.021 4.389 20 0 JIADMO CCc1nc2sc3c(c2c(N2CCC[C@@]4(C2)COCC[N@@H+](Cc2c(C)noc2C)C4)n1)CCC3 ZINC001164783860 721365719 /nfs/dbraw/zinc/36/57/19/721365719.db2.gz PVHMPFZMRLWGQO-AREMUKBSSA-N 1 1 481.666 4.466 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4c(-c5ccccc5)nsc43)C2)C1 ZINC001164783798 721367310 /nfs/dbraw/zinc/36/73/10/721367310.db2.gz PMNVOIJYSGDCNL-SANMLTNESA-N 1 1 490.633 4.477 20 0 JIADMO COCCN1CCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)Cc2cccnc21 ZINC001164884835 721369478 /nfs/dbraw/zinc/36/94/78/721369478.db2.gz FYDVAGPYQRLZDZ-UHFFFAOYSA-N 1 1 478.666 4.034 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4ccsc4)n3)C2)C1 ZINC001164784255 721369813 /nfs/dbraw/zinc/36/98/13/721369813.db2.gz RAQPLQCTKNQXJK-DEOSSOPVSA-N 1 1 453.612 4.237 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4ccc(F)cc43)C2)C1 ZINC001164783113 721370616 /nfs/dbraw/zinc/37/06/16/721370616.db2.gz PHRVKBOGYHFGDJ-HSZRJFAPSA-N 1 1 459.953 4.146 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5scc(-c6ccccc6)c54)C3)O2)CC1 ZINC001164892937 721396299 /nfs/dbraw/zinc/39/62/99/721396299.db2.gz UUVSHYIWSMUOOS-LVXARBLLSA-N 1 1 463.651 4.124 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(-c5cc(Cl)ncn5)cc4)C3)O2)CC1 ZINC001164892853 721398074 /nfs/dbraw/zinc/39/80/74/721398074.db2.gz TZWMXTBLKYQNLM-ZJSXRUAMSA-N 1 1 492.014 4.107 20 0 JIADMO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)n2)cc1 ZINC001164788420 721401782 /nfs/dbraw/zinc/40/17/82/721401782.db2.gz RTZDLVCYKKGSJH-QZTJIDSGSA-N 1 1 461.566 4.469 20 0 JIADMO C[Si](C)(C)CCOCn1ccc2c1nc(Cl)nc2N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783191 721418793 /nfs/dbraw/zinc/41/87/93/721418793.db2.gz HOEVJGNELPVBES-CALCHBBNSA-N 1 1 491.137 4.422 20 0 JIADMO C[Si](C)(C)CCOCn1ccc2c1nc(Cl)nc2N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783191 721418796 /nfs/dbraw/zinc/41/87/96/721418796.db2.gz HOEVJGNELPVBES-CALCHBBNSA-N 1 1 491.137 4.422 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cccc5ccnc(Cl)c54)C3)O2)CC1 ZINC001164885721 721419806 /nfs/dbraw/zinc/41/98/06/721419806.db2.gz HBUMESHUSXEVER-WMZHIEFXSA-N 1 1 464.988 4.199 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nnc(-c5ccc(F)cc5)c5ccccc54)C3)O2)CC1 ZINC001164897742 721434775 /nfs/dbraw/zinc/43/47/75/721434775.db2.gz UPQLJUHTADVLHZ-FIPFOOKPSA-N 1 1 475.612 4.201 20 0 JIADMO Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164899954 721435017 /nfs/dbraw/zinc/43/50/17/721435017.db2.gz ZPHPHCVNGMDOCB-KBMIEXCESA-N 1 1 483.707 4.494 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3sc(C)cc31)CC2 ZINC001164788606 721455767 /nfs/dbraw/zinc/45/57/67/721455767.db2.gz RRILZJJOANWILS-GOSISDBHSA-N 1 1 465.063 4.387 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccc(C)cc3nc1Cl)CC2 ZINC001164786642 721458553 /nfs/dbraw/zinc/45/85/53/721458553.db2.gz OUKMPKIXURPGFX-HXUWFJFHSA-N 1 1 459.034 4.326 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)c3cc(OC)ccc3n1)CC2 ZINC001164789252 721460013 /nfs/dbraw/zinc/46/00/13/721460013.db2.gz WBLPAIPMSUMDOY-JOCHJYFZSA-N 1 1 453.627 4.286 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc3ccc(OC)nc31)CC2 ZINC001164789295 721460896 /nfs/dbraw/zinc/46/08/96/721460896.db2.gz WNQPWJAVYODHTQ-LJQANCHMSA-N 1 1 475.033 4.026 20 0 JIADMO CC(C)C(=O)N1CC[C@H]2CN(c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)CC[C@@H]21 ZINC001164893724 721465381 /nfs/dbraw/zinc/46/53/81/721465381.db2.gz ULJUPSVQUGIHFU-FPOVZHCZSA-N 1 1 481.710 4.495 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164790124 721467385 /nfs/dbraw/zinc/46/73/85/721467385.db2.gz RDYKBAPYROIBSD-HSZRJFAPSA-N 1 1 487.648 4.426 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3oc(-c4ccc(C)cc4)nc31)CC2 ZINC001164791706 721467823 /nfs/dbraw/zinc/46/78/23/721467823.db2.gz XTXVYZIVHHQSCW-QHCPKHFHSA-N 1 1 491.636 4.327 20 0 JIADMO CCc1ccc(-c2ccc(N3CCC4(C[C@@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)nn2)cc1 ZINC001164787499 721469049 /nfs/dbraw/zinc/46/90/49/721469049.db2.gz GFVPMGPDOIWIRW-VWLOTQADSA-N 1 1 464.654 4.440 20 0 JIADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164791660 721473763 /nfs/dbraw/zinc/47/37/63/721473763.db2.gz XIYLPMOVASPQDO-FPOVZHCZSA-N 1 1 455.647 4.205 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3Cc4nccn4C[C@H](Cn4cccn4)C3)c2c1C ZINC001164899013 721487135 /nfs/dbraw/zinc/48/71/35/721487135.db2.gz XTSAJRJTBVMRJX-FQEVSTJZSA-N 1 1 476.654 4.024 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)n1 ZINC001164902393 721490278 /nfs/dbraw/zinc/49/02/78/721490278.db2.gz YRRBXFVKCLTCLZ-LJQANCHMSA-N 1 1 485.698 4.194 20 0 JIADMO 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Clc1ccc2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164961211 722052018 /nfs/dbraw/zinc/05/20/18/722052018.db2.gz VYPSPRSIWAPTMI-UHFFFAOYSA-N 1 1 458.393 4.451 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@@H]3C2)nc1 ZINC001164969781 722082474 /nfs/dbraw/zinc/08/24/74/722082474.db2.gz SNXKDGDVSCZZPY-ISJGIBHGSA-N 1 1 466.601 4.022 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@H]3C2)nc1 ZINC001164969780 722082538 /nfs/dbraw/zinc/08/25/38/722082538.db2.gz SNXKDGDVSCZZPY-GVAUOCQISA-N 1 1 466.601 4.022 20 0 JIADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981027 722108308 /nfs/dbraw/zinc/10/83/08/722108308.db2.gz SBUHTLXPNBMKPC-REWPJTCUSA-N 1 1 485.966 4.464 20 0 JIADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)CC[C@H]3C2)c1 ZINC001164982743 722141812 /nfs/dbraw/zinc/14/18/12/722141812.db2.gz SHCRMMKGVFSKLS-GMAHTHKFSA-N 1 1 498.656 4.364 20 0 JIADMO 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/nfs/dbraw/zinc/31/15/70/1066311570.db2.gz LXOBPKZJPQVCHA-CVEARBPZSA-N 1 1 469.497 4.345 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001316444600 1066312153 /nfs/dbraw/zinc/31/21/53/1066312153.db2.gz MJJFOSMFGDZDKJ-FDDCHVKYSA-N 1 1 496.146 4.384 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[N@@H+]1CC=CCC1 ZINC001316445429 1066315093 /nfs/dbraw/zinc/31/50/93/1066315093.db2.gz PWBFMHLCJWNVNL-IBGZPJMESA-N 1 1 451.644 4.175 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492508757 1066335308 /nfs/dbraw/zinc/33/53/08/1066335308.db2.gz ZHIQIROULQIKCB-HDICACEKSA-N 1 1 480.579 4.315 20 0 JIADMO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC001475325831 1066343167 /nfs/dbraw/zinc/34/31/67/1066343167.db2.gz WKIWYFASOVTOSH-XMMPIXPASA-N 1 1 458.672 4.352 20 0 JIADMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC001475325831 1066343188 /nfs/dbraw/zinc/34/31/88/1066343188.db2.gz WKIWYFASOVTOSH-XMMPIXPASA-N 1 1 458.672 4.352 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(OCCC(C)C)CC3)n2CC[N@H+]2CCC[C@H](C)C2)n1 ZINC001492511172 1066344569 /nfs/dbraw/zinc/34/45/69/1066344569.db2.gz PODWPBNYANYAFF-NRFANRHFSA-N 1 1 454.663 4.412 20 0 JIADMO CSCCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001316461515 1066356956 /nfs/dbraw/zinc/35/69/56/1066356956.db2.gz HWCDNIDHIUNYJP-GOSISDBHSA-N 1 1 495.640 4.379 20 0 JIADMO CSCCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCC[N@H+]1C1CC1 ZINC001316465445 1066365629 /nfs/dbraw/zinc/36/56/29/1066365629.db2.gz MVOQKIJTZDWXDA-SFHVURJKSA-N 1 1 481.508 4.252 20 0 JIADMO CSCCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001316470331 1066375740 /nfs/dbraw/zinc/37/57/40/1066375740.db2.gz DJNFQTHPORYTEF-IBGZPJMESA-N 1 1 458.607 4.043 20 0 JIADMO CSCCCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001316470890 1066377647 /nfs/dbraw/zinc/37/76/47/1066377647.db2.gz PENNRHIMOZOAMN-RTBURBONSA-N 1 1 480.723 4.065 20 0 JIADMO CSCCCn1c(-c2cccc(Br)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001316471418 1066378221 /nfs/dbraw/zinc/37/82/21/1066378221.db2.gz AKMIUOUZLJALII-UHFFFAOYSA-N 1 1 452.466 4.381 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC001333167465 1066384529 /nfs/dbraw/zinc/38/45/29/1066384529.db2.gz MZZCSDQOGJJGJB-IFMALSPDSA-N 1 1 481.000 4.173 20 0 JIADMO C[C@@H](C1CCCCC1)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+](C)C1CCCC1 ZINC001316482587 1066399372 /nfs/dbraw/zinc/39/93/72/1066399372.db2.gz PVVLYOSBGFETNG-IBGZPJMESA-N 1 1 453.635 4.205 20 0 JIADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(Br)s2)n1CC(F)(F)F ZINC001316492994 1066434037 /nfs/dbraw/zinc/43/40/37/1066434037.db2.gz YBRGHEJVTFSNIX-GFCCVEGCSA-N 1 1 494.381 4.021 20 0 JIADMO C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001316498549 1066454323 /nfs/dbraw/zinc/45/43/23/1066454323.db2.gz VFFGDFMMEOJAAQ-MQSCRBSSSA-N 1 1 498.672 4.144 20 0 JIADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(Cc2ccccc2F)n1CCCC(F)(F)F ZINC001316503719 1066471581 /nfs/dbraw/zinc/47/15/81/1066471581.db2.gz DFSWRIZUFJXQMZ-KRWDZBQOSA-N 1 1 469.527 4.040 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(COc3ccc(Cl)cc3)n2CCC(C)(F)F)C[C@H](C)O1 ZINC001316505324 1066478504 /nfs/dbraw/zinc/47/85/04/1066478504.db2.gz QDOWYUAWDVKSGM-CALCHBBNSA-N 1 1 471.980 4.101 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(COc3ccc(Cl)cc3)n2CCC(C)(F)F)C[C@H](C)O1 ZINC001316505324 1066478532 /nfs/dbraw/zinc/47/85/32/1066478532.db2.gz QDOWYUAWDVKSGM-CALCHBBNSA-N 1 1 471.980 4.101 20 0 JIADMO C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001316505729 1066480302 /nfs/dbraw/zinc/48/03/02/1066480302.db2.gz WOMRIVYTLHKTQQ-URXFXBBRSA-N 1 1 483.701 4.483 20 0 JIADMO C[C@H]1COC(C)(C)CN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001316505938 1066481046 /nfs/dbraw/zinc/48/10/46/1066481046.db2.gz ZYMPDKQRWHLKIV-YJBOKZPZSA-N 1 1 479.467 4.160 20 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CC(=O)Nc1ccc(S(=O)(=O)CCC[NH+]2CCC(Nc3ccccc3Cl)CC2)cc1 ZINC001340915726 1066583667 /nfs/dbraw/zinc/58/36/67/1066583667.db2.gz OSENFJHXBFWKKD-UHFFFAOYSA-N 1 1 450.004 4.039 20 0 JIADMO Cc1cccc(NC2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCC[N@H+](C)C(C)C)CC2)c1 ZINC001492535854 1066585915 /nfs/dbraw/zinc/58/59/15/1066585915.db2.gz AQLFWTQGWQCNCL-UHFFFAOYSA-N 1 1 490.656 4.045 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492538690 1066613950 /nfs/dbraw/zinc/61/39/50/1066613950.db2.gz OEQGMMXJJFXGNC-JOCHJYFZSA-N 1 1 477.600 4.004 20 0 JIADMO OCCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001316588302 1066614434 /nfs/dbraw/zinc/61/44/34/1066614434.db2.gz HPXJISRKKGJVIZ-IBGZPJMESA-N 1 1 469.939 4.144 20 0 JIADMO OCCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001316588534 1066616001 /nfs/dbraw/zinc/61/60/01/1066616001.db2.gz RKDXNZXMMRPTRG-KRWDZBQOSA-N 1 1 482.854 4.198 20 0 JIADMO OCCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001316589570 1066618627 /nfs/dbraw/zinc/61/86/27/1066618627.db2.gz BVHIYEJCOKGZRW-UHFFFAOYSA-N 1 1 496.464 4.035 20 0 JIADMO Cc1cccc(OCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001492542053 1066651645 /nfs/dbraw/zinc/65/16/45/1066651645.db2.gz KSEMWCOBOGJMDA-FGZHOGPDSA-N 1 1 498.672 4.095 20 0 JIADMO CCOC(=O)c1sc2nc(CN(C)C)nc(N3CCC[N@@H+](Cc4ccc(C)cc4)CC3)c2c1C ZINC001317740699 1066659064 /nfs/dbraw/zinc/65/90/64/1066659064.db2.gz FYCSUHFIPRZNRD-UHFFFAOYSA-N 1 1 481.666 4.259 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492544146 1066679834 /nfs/dbraw/zinc/67/98/34/1066679834.db2.gz HUQWOLWDMHEYCC-VWLOTQADSA-N 1 1 499.700 4.306 20 0 JIADMO Cc1noc(-c2ccc(C(=O)NN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)n1 ZINC001317782774 1066685504 /nfs/dbraw/zinc/68/55/04/1066685504.db2.gz UJZGQUZFVXZRHY-UHFFFAOYSA-N 1 1 453.546 4.097 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3)CC2)cc1 ZINC001317834669 1066720363 /nfs/dbraw/zinc/72/03/63/1066720363.db2.gz LNGIOBBEOIDFAK-ZRZAMGCNSA-N 1 1 483.678 4.010 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC[C@H](C)CC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492545234 1066732490 /nfs/dbraw/zinc/73/24/90/1066732490.db2.gz IVXDQWNRFLJMAD-XUZZJYLKSA-N 1 1 455.647 4.149 20 0 JIADMO O=C(c1nn(-c2ccccc2F)cc1Br)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001317858265 1066736813 /nfs/dbraw/zinc/73/68/13/1066736813.db2.gz MJAHADGQYDITJT-UHFFFAOYSA-N 1 1 457.347 4.122 20 0 JIADMO COc1ccc(NC(=O)[C@@H]([NH2+]CCNC(=O)c2ccccc2C(F)(F)F)c2ccccc2)cc1 ZINC001317902292 1066771876 /nfs/dbraw/zinc/77/18/76/1066771876.db2.gz HTVPHLVGFDFCQO-QFIPXVFZSA-N 1 1 471.479 4.413 20 0 JIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(NC(=O)c4ccc(=O)[nH]c4)cc3)cc2)C1 ZINC001317937971 1066796754 /nfs/dbraw/zinc/79/67/54/1066796754.db2.gz JKXKNUUUHPCQDC-LJQANCHMSA-N 1 1 458.562 4.201 20 0 JIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)cc1 ZINC001317938897 1066797606 /nfs/dbraw/zinc/79/76/06/1066797606.db2.gz UJPYPOHKMLGMCY-IBGZPJMESA-N 1 1 458.562 4.344 20 0 JIADMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)c2cc3c(cccc3OC(F)(F)F)[nH]2)ccc1F ZINC001317956752 1066810604 /nfs/dbraw/zinc/81/06/04/1066810604.db2.gz DVEYKCKRXGNALG-UHFFFAOYSA-N 1 1 494.445 4.119 20 0 JIADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC001349382198 1066836433 /nfs/dbraw/zinc/83/64/33/1066836433.db2.gz WOEPXWQXGXXWKO-KEBYFXCJSA-N 1 1 477.630 4.387 20 0 JIADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)C[C@H](C)O1 ZINC001349419495 1066839340 /nfs/dbraw/zinc/83/93/40/1066839340.db2.gz DWTNLCHOOMYWCS-ROUUACIJSA-N 1 1 459.034 4.412 20 0 JIADMO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)c1 ZINC001318059304 1066876489 /nfs/dbraw/zinc/87/64/89/1066876489.db2.gz UGNAMLMGKKIYRM-GOSISDBHSA-N 1 1 464.031 4.017 20 0 JIADMO O=C(c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318061820 1066878834 /nfs/dbraw/zinc/87/88/34/1066878834.db2.gz RBXIUHUIXVJOJQ-HSZRJFAPSA-N 1 1 451.574 4.457 20 0 JIADMO S=c1n(CN2CCC[N@H+]3CCC[C@H]3C2)nc(-c2cccnc2)n1-c1ccc(Br)cc1 ZINC001318095320 1066896995 /nfs/dbraw/zinc/89/69/95/1066896995.db2.gz QNISDKFJIWHISX-FQEVSTJZSA-N 1 1 485.455 4.355 20 0 JIADMO CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)[C@H]2CCC[N@H+]2C(C)C)ccc1Cl ZINC001350103559 1066918648 /nfs/dbraw/zinc/91/86/48/1066918648.db2.gz YESFBQQWTJIIOG-HXUWFJFHSA-N 1 1 450.004 4.367 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(C(=O)N4CCSCC4)ccc3C)CC2)cc1 ZINC001318203226 1066956202 /nfs/dbraw/zinc/95/62/02/1066956202.db2.gz ZPEXYEOOJYMHQQ-UHFFFAOYSA-N 1 1 466.651 4.232 20 0 JIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001318218661 1066967035 /nfs/dbraw/zinc/96/70/35/1066967035.db2.gz PSAHDTGYRYHEMW-DEOSSOPVSA-N 1 1 468.548 4.087 20 0 JIADMO CCOc1ccc(Oc2cc(CNC(=O)NCc3cccc(C[NH+]4CCN(C)CC4)c3)ccn2)cc1 ZINC001318251446 1066984496 /nfs/dbraw/zinc/98/44/96/1066984496.db2.gz WCPADIJCTAQHIO-UHFFFAOYSA-N 1 1 489.620 4.019 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001492548127 1066985397 /nfs/dbraw/zinc/98/53/97/1066985397.db2.gz SMLICVGRAQILSP-UPVQGACJSA-N 1 1 455.647 4.291 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001318262961 1066989876 /nfs/dbraw/zinc/98/98/76/1066989876.db2.gz RBYKNVZJPBANSF-UHFFFAOYSA-N 1 1 472.998 4.147 20 0 JIADMO O=C(NC1CC1)[C@H]1CCC[N@H+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001318305106 1067009057 /nfs/dbraw/zinc/00/90/57/1067009057.db2.gz BFJPSSAJAFKDHF-WMZHIEFXSA-N 1 1 477.432 4.451 20 0 JIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(Br)ccc2-n2cnnn2)cc1 ZINC001350857778 1067010433 /nfs/dbraw/zinc/01/04/33/1067010433.db2.gz DEMYYQUQZOXVEX-HNNXBMFYSA-N 1 1 455.360 4.052 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001300685745 1067026648 /nfs/dbraw/zinc/02/66/48/1067026648.db2.gz BCTFBWGXADUISY-RCCFBDPRSA-N 1 1 461.701 4.392 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2cccc(OC)c2OC)C1 ZINC001318355321 1067030038 /nfs/dbraw/zinc/03/00/38/1067030038.db2.gz UYHWAULQIVDIID-AUSIDOKSSA-N 1 1 464.610 4.348 20 0 JIADMO O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318418725 1067040178 /nfs/dbraw/zinc/04/01/78/1067040178.db2.gz VHPYSPMVQKNYHI-UHFFFAOYSA-N 1 1 490.633 4.228 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492548634 1067040368 /nfs/dbraw/zinc/04/03/68/1067040368.db2.gz HCTBHFDIEVSSFM-BJKOFHAPSA-N 1 1 487.714 4.100 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC001318417875 1067040570 /nfs/dbraw/zinc/04/05/70/1067040570.db2.gz MQDWWTDWFDEEIA-UHFFFAOYSA-N 1 1 487.651 4.037 20 0 JIADMO Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CCCC2)cc1 ZINC001354728641 1067065189 /nfs/dbraw/zinc/06/51/89/1067065189.db2.gz CBERFTSRAWAGNH-ZJSXRUAMSA-N 1 1 454.636 4.108 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1nn(-c2ccccc2)cc1Br ZINC001354731397 1067066626 /nfs/dbraw/zinc/06/66/26/1067066626.db2.gz QXGRATMLBXAEAV-UTKZUKDTSA-N 1 1 453.384 4.275 20 0 JIADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001545692151 1067075102 /nfs/dbraw/zinc/07/51/02/1067075102.db2.gz PDIZLDHCBIZMAN-RJGXRXQPSA-N 1 1 466.674 4.341 20 0 JIADMO Cc1cccc(C)c1OCc1nnc(SCC(=O)N2CCC[N@H+]3CCC[C@H]3C2)n1-c1ccccc1 ZINC001320810999 1067094354 /nfs/dbraw/zinc/09/43/54/1067094354.db2.gz NPXLYWRAWLRSCG-QHCPKHFHSA-N 1 1 491.661 4.252 20 0 JIADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)c2csc(C3CCCCC3)c2)c1 ZINC001354813778 1067136150 /nfs/dbraw/zinc/13/61/50/1067136150.db2.gz XWOZNIKGKUHFCU-UHFFFAOYSA-N 1 1 455.624 4.387 20 0 JIADMO O=C(NCc1cccc(Br)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001351795487 1067209332 /nfs/dbraw/zinc/20/93/32/1067209332.db2.gz QGKSFMRLUYCFDC-WOJBJXKFSA-N 1 1 456.409 4.438 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001492549290 1067210956 /nfs/dbraw/zinc/21/09/56/1067210956.db2.gz WQBMCPAWTBFEBP-FCHUYYIVSA-N 1 1 455.647 4.290 20 0 JIADMO COC(=O)c1ccc(CCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001351826762 1067216538 /nfs/dbraw/zinc/21/65/38/1067216538.db2.gz SFHWQHZIUPFISY-GGXMVOPNSA-N 1 1 456.586 4.222 20 0 JIADMO C[N@H+]1CCC[C@H](CCNC(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200804543 1067218236 /nfs/dbraw/zinc/21/82/36/1067218236.db2.gz RLJCPUBNRQCBEL-SNVBAGLBSA-N 1 1 453.219 4.369 20 0 JIADMO CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=S)Nc1c(F)cc(Br)cc1Br ZINC001200805255 1067226028 /nfs/dbraw/zinc/22/60/28/1067226028.db2.gz RTEYHMCCFWUGKM-CQSZACIVSA-N 1 1 497.272 4.384 20 0 JIADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(OC(F)(F)F)c(Cl)c3)cc2)CC1 ZINC001351896643 1067236170 /nfs/dbraw/zinc/23/61/70/1067236170.db2.gz VGQLXXWWPUJIDE-UHFFFAOYSA-N 1 1 455.864 4.269 20 0 JIADMO FCC[NH+]1CCC(NC(=S)Nc2c(F)cc(Br)cc2Br)CC1 ZINC001200808672 1067245727 /nfs/dbraw/zinc/24/57/27/1067245727.db2.gz MMOBNYVCZKNAGI-UHFFFAOYSA-N 1 1 457.182 4.071 20 0 JIADMO C[NH+]1CCN(c2ccc(NC(=O)c3nn(-c4ccccc4F)cc3Br)cc2Cl)CC1 ZINC001322213778 1067262762 /nfs/dbraw/zinc/26/27/62/1067262762.db2.gz OHZCPARNWHMHAZ-UHFFFAOYSA-N 1 1 492.780 4.431 20 0 JIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cnc(Br)c(Br)c1 ZINC001352020341 1067270713 /nfs/dbraw/zinc/27/07/13/1067270713.db2.gz ZTSAANWZRZRYMW-CQSZACIVSA-N 1 1 457.166 4.157 20 0 JIADMO O=C(C[N@H+]1CCC[C@H](C(=O)NC2CC2)C1)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC001322303456 1067272078 /nfs/dbraw/zinc/27/20/78/1067272078.db2.gz KCECOKIEDHSRLB-BSQOICDSSA-N 1 1 467.629 4.114 20 0 JIADMO C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br)[N@H+]1CCc2ccccc2C1 ZINC001352081620 1067282782 /nfs/dbraw/zinc/28/27/82/1067282782.db2.gz SVSFKWBFDJQFSB-HUUCEWRRSA-N 1 1 451.792 4.433 20 0 JIADMO COc1ccc(OCC(F)(F)C(F)F)c(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC001352082262 1067283596 /nfs/dbraw/zinc/28/35/96/1067283596.db2.gz YHFOLHZNKGRGKD-HNNXBMFYSA-N 1 1 454.464 4.151 20 0 JIADMO CCn1c(SCC(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)nnc1-c1ccco1 ZINC001322404508 1067286974 /nfs/dbraw/zinc/28/69/74/1067286974.db2.gz PCSKWYHUPFNZLL-UHFFFAOYSA-N 1 1 465.583 4.151 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001300758034 1067289885 /nfs/dbraw/zinc/28/98/85/1067289885.db2.gz PATIFJZGIQDJQE-WAOWUJCRSA-N 1 1 463.573 4.282 20 0 JIADMO CO[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001300758447 1067291249 /nfs/dbraw/zinc/29/12/49/1067291249.db2.gz SOQFURKXWKTNNA-MJGOQNOKSA-N 1 1 479.467 4.306 20 0 JIADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)C[C@@H](C)O1 ZINC001352162562 1067303407 /nfs/dbraw/zinc/30/34/07/1067303407.db2.gz KWPOZBVQFCDUJI-HUUCEWRRSA-N 1 1 451.583 4.370 20 0 JIADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)C[C@@H](C)O1 ZINC001352172964 1067305549 /nfs/dbraw/zinc/30/55/49/1067305549.db2.gz DPVPRGYUBGQLSA-SFHLNBCPSA-N 1 1 453.668 4.102 20 0 JIADMO CCCN(C(=O)c1cc(NC(C)=O)c(OC)c(OC)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001352174609 1067306049 /nfs/dbraw/zinc/30/60/49/1067306049.db2.gz DINUUXIBFFTVDV-QFIPXVFZSA-N 1 1 453.583 4.179 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001354962280 1067307026 /nfs/dbraw/zinc/30/70/26/1067307026.db2.gz JWOIWCCLCIEKAI-UHFFFAOYSA-N 1 1 459.396 4.448 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC001492495456 1067324841 /nfs/dbraw/zinc/32/48/41/1067324841.db2.gz XZIZTOAJDFMOHK-LJQANCHMSA-N 1 1 483.611 4.150 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC[N@@H+]2CCN(C)C(C)(C)C2)n1 ZINC001492495456 1067324858 /nfs/dbraw/zinc/32/48/58/1067324858.db2.gz XZIZTOAJDFMOHK-LJQANCHMSA-N 1 1 483.611 4.150 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC[N@H+]2CCN(C)C(C)(C)C2)n1 ZINC001492495456 1067324873 /nfs/dbraw/zinc/32/48/73/1067324873.db2.gz XZIZTOAJDFMOHK-LJQANCHMSA-N 1 1 483.611 4.150 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001492495965 1067329446 /nfs/dbraw/zinc/32/94/46/1067329446.db2.gz JEAGHEBBSDNACM-IBGZPJMESA-N 1 1 452.578 4.096 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001492495965 1067329462 /nfs/dbraw/zinc/32/94/62/1067329462.db2.gz JEAGHEBBSDNACM-IBGZPJMESA-N 1 1 452.578 4.096 20 0 JIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ncsc2Br)c1 ZINC001355013331 1067336057 /nfs/dbraw/zinc/33/60/57/1067336057.db2.gz NLRXXTSKMIAPFR-NSHDSACASA-N 1 1 455.353 4.110 20 0 JIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ncsc2Br)c1 ZINC001355013331 1067336069 /nfs/dbraw/zinc/33/60/69/1067336069.db2.gz NLRXXTSKMIAPFR-NSHDSACASA-N 1 1 455.353 4.110 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001492498345 1067341634 /nfs/dbraw/zinc/34/16/34/1067341634.db2.gz ZUUVAUHSPUPZTI-LJQANCHMSA-N 1 1 497.594 4.122 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3ccccn3)n2CCC[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC001300001988 1067342057 /nfs/dbraw/zinc/34/20/57/1067342057.db2.gz IIRXBIVVJOGQJZ-FQEVSTJZSA-N 1 1 464.614 4.258 20 0 JIADMO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cc(-n3ccnc3)cs2)c2cc(F)ccc2F)c1 ZINC001200845412 1067342165 /nfs/dbraw/zinc/34/21/65/1067342165.db2.gz WXMYQHSEWPPWNK-JOCHJYFZSA-N 1 1 459.543 4.495 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3cccs3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC001300002232 1067342920 /nfs/dbraw/zinc/34/29/20/1067342920.db2.gz LXFNRVFOUGCNBF-LJQANCHMSA-N 1 1 485.654 4.161 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc(CC(C)C)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001492553496 1067347402 /nfs/dbraw/zinc/34/74/02/1067347402.db2.gz KUFHUIRJRJSHLN-SQJMNOBHSA-N 1 1 457.688 4.190 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001492554099 1067353839 /nfs/dbraw/zinc/35/38/39/1067353839.db2.gz RRPXLPZBHKNNPI-VXKWHMMOSA-N 1 1 452.647 4.284 20 0 JIADMO COc1ccc(-c2nnc(N(C)CCC(F)(F)F)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300011851 1067365015 /nfs/dbraw/zinc/36/50/15/1067365015.db2.gz MBNCTCUHLQINEO-LJQANCHMSA-N 1 1 469.552 4.471 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001492555319 1067375438 /nfs/dbraw/zinc/37/54/38/1067375438.db2.gz JKHMLDOXKYTUOS-PKTZIBPZSA-N 1 1 462.642 4.271 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CC[C@@H](CC(C)C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001492581568 1067385560 /nfs/dbraw/zinc/38/55/60/1067385560.db2.gz JWKXPWZFSMSHMY-UKILVPOCSA-N 1 1 453.675 4.407 20 0 JIADMO CC(=O)c1ccc(Oc2ccc(C(=O)Nc3cccc(C[N@@H+]4CCC[C@@H]4C(N)=O)c3)cc2)cc1 ZINC001355239026 1067394045 /nfs/dbraw/zinc/39/40/45/1067394045.db2.gz IXKVQQMCXAOMPR-RUZDIDTESA-N 1 1 457.530 4.384 20 0 JIADMO CC(=O)c1ccc(Oc2ccc(C(=O)Nc3cccc(C[N@H+]4CCC[C@@H]4C(N)=O)c3)cc2)cc1 ZINC001355239026 1067394055 /nfs/dbraw/zinc/39/40/55/1067394055.db2.gz IXKVQQMCXAOMPR-RUZDIDTESA-N 1 1 457.530 4.384 20 0 JIADMO CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001352449561 1067399959 /nfs/dbraw/zinc/39/99/59/1067399959.db2.gz CRXBRSQGDNVJPR-FGZHOGPDSA-N 1 1 465.619 4.425 20 0 JIADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3(Cc4cccc(F)c4)CCCCC3)cc2)CC1 ZINC001355291088 1067406102 /nfs/dbraw/zinc/40/61/02/1067406102.db2.gz ZDGUUHAVNNCPGU-UHFFFAOYSA-N 1 1 451.586 4.274 20 0 JIADMO COc1ccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300032858 1067428728 /nfs/dbraw/zinc/42/87/28/1067428728.db2.gz GHYLEVXVEJYPSN-KOSHJBKYSA-N 1 1 495.590 4.215 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H]2CCO[C@H](C)C2)cc1OC ZINC001300040283 1067460921 /nfs/dbraw/zinc/46/09/21/1067460921.db2.gz KFTBTPSZIGAPHE-IRLDBZIGSA-N 1 1 485.673 4.334 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300045846 1067495759 /nfs/dbraw/zinc/49/57/59/1067495759.db2.gz SKWNLOGHAFGTQT-HXUWFJFHSA-N 1 1 485.673 4.478 20 0 JIADMO CN(C(=O)c1cc(F)ccc1I)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001355531318 1067500384 /nfs/dbraw/zinc/50/03/84/1067500384.db2.gz XFJZJTUKRSLVNQ-QGZVFWFLSA-N 1 1 452.311 4.167 20 0 JIADMO COc1ccc(-c2nnc(N3CCC=C(C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1Br ZINC001300048106 1067502410 /nfs/dbraw/zinc/50/24/10/1067502410.db2.gz PIPWJVHWLFHIMU-MRXNPFEDSA-N 1 1 460.420 4.355 20 0 JIADMO CC[C@@H](NC(=O)c1csc(-c2ccccc2OC)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355543606 1067504139 /nfs/dbraw/zinc/50/41/39/1067504139.db2.gz ARIGTVPOFHGPDZ-NFBKMPQASA-N 1 1 451.592 4.228 20 0 JIADMO CC[C@@H](NC(=O)c1csc(-c2ccccc2OC)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355543606 1067504148 /nfs/dbraw/zinc/50/41/48/1067504148.db2.gz ARIGTVPOFHGPDZ-NFBKMPQASA-N 1 1 451.592 4.228 20 0 JIADMO CC[C@H](NC(=O)[C@H](C)Cc1ccc(Br)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355547824 1067508233 /nfs/dbraw/zinc/50/82/33/1067508233.db2.gz WODJZMWZNVWIRA-LEOXJPRUSA-N 1 1 459.428 4.424 20 0 JIADMO 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Cc1ccccc1-c1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CCC[NH+]1CCOCC1 ZINC001492558224 1067875261 /nfs/dbraw/zinc/87/52/61/1067875261.db2.gz NDCFCKPHIMTPKC-UHFFFAOYSA-N 1 1 480.560 4.088 20 0 JIADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2cccc(N3CCNC3=O)c2)cc1)C[C@@H]1CCCCO1 ZINC001357599769 1067876134 /nfs/dbraw/zinc/87/61/34/1067876134.db2.gz RDBHRXNECAHONK-DEOSSOPVSA-N 1 1 450.583 4.248 20 0 JIADMO CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)cc2)cc1 ZINC001357614728 1067877606 /nfs/dbraw/zinc/87/76/06/1067877606.db2.gz VYRJOJKKGSKZTQ-UHFFFAOYSA-N 1 1 457.530 4.321 20 0 JIADMO CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001357641687 1067881609 /nfs/dbraw/zinc/88/16/09/1067881609.db2.gz WMTDSXJOJFGQAI-TUUKDFBESA-N 1 1 453.583 4.390 20 0 JIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N[C@H](C(=O)OCc3ccccc3)C(C)(C)C)cc2)C[C@H](C)O1 ZINC001357718850 1067891123 /nfs/dbraw/zinc/89/11/23/1067891123.db2.gz DMYYQSCCAYOYRO-MZLICYQSSA-N 1 1 452.595 4.184 20 0 JIADMO C[C@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357779643 1067898698 /nfs/dbraw/zinc/89/86/98/1067898698.db2.gz IBEQGPIOKYYTSA-ZTCOLXNVSA-N 1 1 451.611 4.322 20 0 JIADMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3cn(-c4ccccc4)nc3C(C)(C)C)cc2)CC1 ZINC001357805422 1067904866 /nfs/dbraw/zinc/90/48/66/1067904866.db2.gz UUIGTJGZTXWDNZ-UHFFFAOYSA-N 1 1 459.594 4.086 20 0 JIADMO COc1ccc(CN2CCN(c3nnc(C(C)C)n3C[C@H]3CCC[N@@H+](CC(C)C)C3)CC2)cc1F ZINC001300230335 1067906799 /nfs/dbraw/zinc/90/67/99/1067906799.db2.gz GQQFNYFJQJZTJW-QHCPKHFHSA-N 1 1 486.680 4.239 20 0 JIADMO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001200267754 1067907688 /nfs/dbraw/zinc/90/76/88/1067907688.db2.gz QZPFYHWFOPBPJE-UHFFFAOYSA-N 1 1 462.660 4.014 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc(C2CCC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001300237703 1067934152 /nfs/dbraw/zinc/93/41/52/1067934152.db2.gz OHKKYMHNPPCIPF-GOSISDBHSA-N 1 1 462.038 4.345 20 0 JIADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)c3sccc3Br)cc2)C[C@H]1C ZINC001357908279 1067938633 /nfs/dbraw/zinc/93/86/33/1067938633.db2.gz ZUZPBERODAPAQE-IYBDPMFKSA-N 1 1 451.430 4.450 20 0 JIADMO C[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001358026503 1067991126 /nfs/dbraw/zinc/99/11/26/1067991126.db2.gz CLQUCOFZPNSCQK-NRFANRHFSA-N 1 1 452.618 4.057 20 0 JIADMO COc1ccc(OC)c(CN(CCO)c2nnc(C(C)(C)C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001300252598 1068005542 /nfs/dbraw/zinc/00/55/42/1068005542.db2.gz BKQXNMDSNAKNCI-FQEVSTJZSA-N 1 1 487.689 4.102 20 0 JIADMO COc1ccc(OCc2nnc(N(C)Cc3nccs3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300263827 1068031094 /nfs/dbraw/zinc/03/10/94/1068031094.db2.gz RBJHRIBGANFQLG-FQEVSTJZSA-N 1 1 470.643 4.079 20 0 JIADMO COc1ccc(OCc2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300270412 1068049089 /nfs/dbraw/zinc/04/90/89/1068049089.db2.gz FAVHTAVPAYAIBO-SFHVURJKSA-N 1 1 479.547 4.296 20 0 JIADMO CN1CC[NH+](CCCOc2ccc(NC(=O)Cc3nc(-c4ccccc4)cs3)cc2)CC1 ZINC001300278965 1068066449 /nfs/dbraw/zinc/06/64/49/1068066449.db2.gz AOZPSLPOLVLCSL-UHFFFAOYSA-N 1 1 450.608 4.008 20 0 JIADMO Cc1ccc(NC(=S)N2CC[NH+](C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c(Cl)c1 ZINC001200332919 1068099153 /nfs/dbraw/zinc/09/91/53/1068099153.db2.gz ANPJWNAZSPJNHY-UHFFFAOYSA-N 1 1 453.052 4.362 20 0 JIADMO Cc1cc(N2C[C@H](C(=O)NC[C@@H]3CCCC[N@@H+]3Cc3cccc(Cl)c3)CC2=O)ccc1F ZINC001358478648 1068102580 /nfs/dbraw/zinc/10/25/80/1068102580.db2.gz KHRAVJFPIBQTMN-KNQAVFIVSA-N 1 1 457.977 4.311 20 0 JIADMO Cc1cc(N2C[C@H](C(=O)NC[C@@H]3CCCC[N@H+]3Cc3cccc(Cl)c3)CC2=O)ccc1F ZINC001358478648 1068102640 /nfs/dbraw/zinc/10/26/40/1068102640.db2.gz KHRAVJFPIBQTMN-KNQAVFIVSA-N 1 1 457.977 4.311 20 0 JIADMO Cc1ccc(NC(=S)N[C@H]2CC[N@H+](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c(Cl)c1 ZINC001200346417 1068165809 /nfs/dbraw/zinc/16/58/09/1068165809.db2.gz MSULKXKJCLNTNG-INIZCTEOSA-N 1 1 453.052 4.409 20 0 JIADMO CCS(=O)(=O)c1cccc(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001200355662 1068212598 /nfs/dbraw/zinc/21/25/98/1068212598.db2.gz GFZUQJQREOVTNX-MGPUTAFESA-N 1 1 453.967 4.087 20 0 JIADMO COc1ccc(OCCn2c(Cc3ccsc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001300323627 1068247032 /nfs/dbraw/zinc/24/70/32/1068247032.db2.gz QHGCKXBABIKWQC-UHFFFAOYSA-N 1 1 469.655 4.329 20 0 JIADMO COc1cccc(C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC001300331119 1068273290 /nfs/dbraw/zinc/27/32/90/1068273290.db2.gz RQVJWQCEETXCAC-OAQYLSRUSA-N 1 1 469.674 4.469 20 0 JIADMO CN1CC[NH+](Cc2ccc(CNC(=O)Nc3nnc(SCc4ccc(F)cc4)s3)cc2)CC1 ZINC000612990164 1068280549 /nfs/dbraw/zinc/28/05/49/1068280549.db2.gz AZNTXCNZMYLFHK-UHFFFAOYSA-N 1 1 486.642 4.039 20 0 JIADMO CN1CC[NH+](C(C)(C)CNC(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)CC1 ZINC000613086141 1068281587 /nfs/dbraw/zinc/28/15/87/1068281587.db2.gz PBMVGFHXZSODKX-UHFFFAOYSA-N 1 1 489.498 4.285 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3C[C@](C)(O)c3ccsc3)CC2)c1 ZINC001300333962 1068296298 /nfs/dbraw/zinc/29/62/98/1068296298.db2.gz DITYIGJVDFCNDW-IBVKSMDESA-N 1 1 483.682 4.338 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3nnc(NCc4ccc(F)cc4)s3)CC2)cc1 ZINC000614007135 1068306240 /nfs/dbraw/zinc/30/62/40/1068306240.db2.gz RSUKBNZKUKOZLJ-UHFFFAOYSA-N 1 1 485.654 4.424 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3nnc(NCCc4cccs4)s3)CC2)cc1 ZINC000614012834 1068307002 /nfs/dbraw/zinc/30/70/02/1068307002.db2.gz XALIUCCYCWRKLH-UHFFFAOYSA-N 1 1 487.720 4.389 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc([C@H]4CCCO4)n3CCSCC(F)(F)F)CC2)c1 ZINC001300335392 1068307183 /nfs/dbraw/zinc/30/71/83/1068307183.db2.gz RJBIENUFSVQMNA-FXAWDEMLSA-N 1 1 499.603 4.317 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(Cc4ccsc4)n3C[C@](C)(O)C(C)C)CC2)c1 ZINC001300335645 1068308589 /nfs/dbraw/zinc/30/85/89/1068308589.db2.gz VDPDNGABSCFFMS-FNZWTVRRSA-N 1 1 483.682 4.229 20 0 JIADMO O=C(Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)c1ccc(OC(F)F)nc1 ZINC001353560809 1068323684 /nfs/dbraw/zinc/32/36/84/1068323684.db2.gz UKWDDSVEMIXQHJ-UHFFFAOYSA-N 1 1 452.505 4.253 20 0 JIADMO Cn1ncc(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1I ZINC001353563872 1068327230 /nfs/dbraw/zinc/32/72/30/1068327230.db2.gz KHOTVFOUUZBKRB-UHFFFAOYSA-N 1 1 452.340 4.042 20 0 JIADMO Cc1cc(NC(=O)[C@H](C)SCC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)no1 ZINC000520918738 1068328991 /nfs/dbraw/zinc/32/89/91/1068328991.db2.gz PPNMEZRVFMLHGB-AWEZNQCLSA-N 1 1 485.437 4.131 20 0 JIADMO CC(=O)Nc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)s2)c1 ZINC000521237721 1068330373 /nfs/dbraw/zinc/33/03/73/1068330373.db2.gz KFLOJECUUXMODQ-HRAATJIYSA-N 1 1 496.662 4.111 20 0 JIADMO CC[C@H](c1nnc(NC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)s1)c1ccccc1 ZINC000521748560 1068335434 /nfs/dbraw/zinc/33/54/34/1068335434.db2.gz WSHXVAONAWYMTA-YADHBBJMSA-N 1 1 492.649 4.099 20 0 JIADMO CCCCc1ccc(NC(=S)N2CCC3(C[N@@H+](Cc4cccnc4)C[C@@]34CCNC4=O)CC2)cc1 ZINC001200386660 1068350574 /nfs/dbraw/zinc/35/05/74/1068350574.db2.gz UVADDWKACNPPKI-MUUNZHRXSA-N 1 1 491.705 4.225 20 0 JIADMO COc1cccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001300351483 1068363208 /nfs/dbraw/zinc/36/32/08/1068363208.db2.gz KVVTWHONNJRKQS-OYRHEFFESA-N 1 1 485.673 4.157 20 0 JIADMO COc1cccc(-c2nnc(N(C)C[C@H]3CCCOC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001300351704 1068364091 /nfs/dbraw/zinc/36/40/91/1068364091.db2.gz PNQKRFPPAOZAFK-FGZHOGPDSA-N 1 1 455.647 4.329 20 0 JIADMO 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 1068369305 /nfs/dbraw/zinc/36/93/05/1068369305.db2.gz QUUWGKYTPMYGBV-ZLNRFVROSA-N 1 1 498.716 4.010 20 0 JIADMO COc1cccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001300361213 1068389202 /nfs/dbraw/zinc/38/92/02/1068389202.db2.gz JIXFXPIGSHACCS-GMAHTHKFSA-N 1 1 455.647 4.183 20 0 JIADMO COc1cccc(-c2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001300369709 1068417850 /nfs/dbraw/zinc/41/78/50/1068417850.db2.gz JNHKYAKQHVQRBJ-UHFFFAOYSA-N 1 1 486.661 4.035 20 0 JIADMO COc1cccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001300374617 1068440609 /nfs/dbraw/zinc/44/06/09/1068440609.db2.gz IGXHKKHDSGEYOL-JOCHJYFZSA-N 1 1 496.700 4.207 20 0 JIADMO COc1cccc(-c2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2C[C@@H](OC)C(C)(C)C)c1 ZINC001300388386 1068496563 /nfs/dbraw/zinc/49/65/63/1068496563.db2.gz GFPBGQOCRWWMOK-WMZHIEFXSA-N 1 1 455.647 4.325 20 0 JIADMO COc1cccc(-c2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2CCCOC(C)C)c1 ZINC001300388540 1068496890 /nfs/dbraw/zinc/49/68/90/1068496890.db2.gz HMGSGGZMKDLGHT-UHFFFAOYSA-N 1 1 455.628 4.153 20 0 JIADMO COc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+](C)C(C)C)c1 ZINC001300420325 1068629766 /nfs/dbraw/zinc/62/97/66/1068629766.db2.gz TZVSUYBTZKMUIS-UHFFFAOYSA-N 1 1 489.462 4.421 20 0 JIADMO 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 1068701844 /nfs/dbraw/zinc/70/18/44/1068701844.db2.gz OGTTUCKSCBXQGS-IMSXRSKXSA-N 1 1 499.700 4.268 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC2COC(C)(C)OC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001300469906 1068810617 /nfs/dbraw/zinc/81/06/17/1068810617.db2.gz IGSQVOSNLWLVCU-NRFANRHFSA-N 1 1 485.673 4.301 20 0 JIADMO 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 1068830893 /nfs/dbraw/zinc/83/08/93/1068830893.db2.gz NTYXOJNVSGUVCD-NNMXDRDESA-N 1 1 495.590 4.478 20 0 JIADMO COc1cccc(CNC(=S)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1OC ZINC001200530438 1068831529 /nfs/dbraw/zinc/83/15/29/1068831529.db2.gz ZHVTXGRLHBWVFH-UHFFFAOYSA-N 1 1 467.557 4.351 20 0 JIADMO CC(C)(C)OC(=O)Nc1cnc(CN[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC001200533818 1068841097 /nfs/dbraw/zinc/84/10/97/1068841097.db2.gz JKQQFUVPKIZINV-KRWDZBQOSA-N 1 1 451.493 4.207 20 0 JIADMO CC(C)(C)OC(=O)Nc1cnc(CN[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC001200533818 1068841101 /nfs/dbraw/zinc/84/11/01/1068841101.db2.gz JKQQFUVPKIZINV-KRWDZBQOSA-N 1 1 451.493 4.207 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@](C)(O)c1cccs1 ZINC001300486064 1068845931 /nfs/dbraw/zinc/84/59/31/1068845931.db2.gz PBSFVQCZHWFHEQ-SANMLTNESA-N 1 1 483.682 4.480 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CCC=C(C)C ZINC001300490438 1068854179 /nfs/dbraw/zinc/85/41/79/1068854179.db2.gz DNWVJYMRJCFKGL-UHFFFAOYSA-N 1 1 466.674 4.305 20 0 JIADMO COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=S)Nc1cc(OC)c(Cl)cc1OC ZINC001200541675 1068857820 /nfs/dbraw/zinc/85/78/20/1068857820.db2.gz BNVPOLQTSDADRC-UHFFFAOYSA-N 1 1 476.986 4.331 20 0 JIADMO COCC[S@](=O)Cc1cccc(NC(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001200541774 1068857918 /nfs/dbraw/zinc/85/79/18/1068857918.db2.gz GSHDYOCSAZYWKH-MOISWYBYSA-N 1 1 469.651 4.004 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001300496237 1068864842 /nfs/dbraw/zinc/86/48/42/1068864842.db2.gz GFVXNWMACBVLRG-GJZUVCINSA-N 1 1 455.647 4.470 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CCCCn1cc[nH+]c1C ZINC001300501093 1068870224 /nfs/dbraw/zinc/87/02/24/1068870224.db2.gz JTVJWRVWABZEHH-IBGZPJMESA-N 1 1 492.546 4.487 20 0 JIADMO COc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001300507763 1068882329 /nfs/dbraw/zinc/88/23/29/1068882329.db2.gz SOFOCERBJLZHRF-UHFFFAOYSA-N 1 1 498.672 4.133 20 0 JIADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)[C@@H](C)C1 ZINC001354075689 1068882371 /nfs/dbraw/zinc/88/23/71/1068882371.db2.gz GIMXECAZFYVXPB-JXFKEZNVSA-N 1 1 459.432 4.316 20 0 JIADMO COc1ccccc1-c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001300518446 1068905108 /nfs/dbraw/zinc/90/51/08/1068905108.db2.gz SKRYMYPADIOVAG-REWPJTCUSA-N 1 1 455.647 4.325 20 0 JIADMO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCn1cc[nH+]c1C ZINC001300525779 1068927005 /nfs/dbraw/zinc/92/70/05/1068927005.db2.gz VAKXTKUKQWKNBH-MRXNPFEDSA-N 1 1 498.429 4.317 20 0 JIADMO Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC001354141773 1068929505 /nfs/dbraw/zinc/92/95/05/1068929505.db2.gz SORQQEQRCFYRPS-HXUWFJFHSA-N 1 1 452.599 4.283 20 0 JIADMO COc1ccccc1C[C@H](C)N(C)c1nnc(CC(C)(C)C)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300528867 1068935583 /nfs/dbraw/zinc/93/55/83/1068935583.db2.gz HNZDFQQDSSHFSW-JTHBVZDNSA-N 1 1 471.690 4.300 20 0 JIADMO Cc1nc(C[N@@H+]2CC[C@]3(C2)COCCN(C(=S)Nc2ccc(F)c(Cl)c2)C3)cs1 ZINC001200584330 1068952730 /nfs/dbraw/zinc/95/27/30/1068952730.db2.gz GYDQLXZAJJCXFN-HXUWFJFHSA-N 1 1 455.024 4.165 20 0 JIADMO Cc1nc(C[N@H+]2CC[C@]3(C2)COCCN(C(=S)Nc2ccc(F)c(Cl)c2)C3)cs1 ZINC001200584330 1068952743 /nfs/dbraw/zinc/95/27/43/1068952743.db2.gz GYDQLXZAJJCXFN-HXUWFJFHSA-N 1 1 455.024 4.165 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCOC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001300539437 1068966053 /nfs/dbraw/zinc/96/60/53/1068966053.db2.gz GDLQQKCULPEATB-FCHUYYIVSA-N 1 1 469.674 4.251 20 0 JIADMO COc1cc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)ccc1OC(F)F ZINC001200591095 1068974782 /nfs/dbraw/zinc/97/47/82/1068974782.db2.gz TWYMYKHEMPXMTR-UHFFFAOYSA-N 1 1 459.459 4.357 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCc1sccc1C ZINC001300542114 1068975780 /nfs/dbraw/zinc/97/57/80/1068975780.db2.gz NLSSFDVAAPZBGR-UHFFFAOYSA-N 1 1 483.682 4.037 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCc1sccc1C ZINC001300542114 1068975793 /nfs/dbraw/zinc/97/57/93/1068975793.db2.gz NLSSFDVAAPZBGR-UHFFFAOYSA-N 1 1 483.682 4.037 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CCC(C)(C)O ZINC001492586271 1069000791 /nfs/dbraw/zinc/00/07/91/1069000791.db2.gz BPZMRFIKGNSXBP-FQEVSTJZSA-N 1 1 453.656 4.283 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001492586354 1069002698 /nfs/dbraw/zinc/00/26/98/1069002698.db2.gz DWMSAXRUOWHDDS-YADHBBJMSA-N 1 1 482.673 4.107 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCCCOC(C)C ZINC001492587326 1069021715 /nfs/dbraw/zinc/02/17/15/1069021715.db2.gz MONRGJVPODDELE-HSZRJFAPSA-N 1 1 469.674 4.072 20 0 JIADMO Cc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001492572268 1069027233 /nfs/dbraw/zinc/02/72/33/1069027233.db2.gz YGRIPZWVBDTFDW-OAQYLSRUSA-N 1 1 482.673 4.479 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CC[N@H+](C)C(C)C ZINC001492589458 1069037779 /nfs/dbraw/zinc/03/77/79/1069037779.db2.gz UENJKWRYNQGAGD-UPVQGACJSA-N 1 1 496.700 4.353 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@@](C)(OC)CC2)n1CCCCn1cc[nH+]c1C ZINC001300563081 1069040177 /nfs/dbraw/zinc/04/01/77/1069040177.db2.gz MSIWRMLGDLSDNM-AREMUKBSSA-N 1 1 466.630 4.258 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001300563533 1069041197 /nfs/dbraw/zinc/04/11/97/1069041197.db2.gz RDZJXHLFKIFHJY-TZIWHRDSSA-N 1 1 495.590 4.157 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cn1 ZINC000849482082 1069050201 /nfs/dbraw/zinc/05/02/01/1069050201.db2.gz PUJYMLDHTVOWNH-FGZHOGPDSA-N 1 1 485.510 4.365 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849486192 1069051952 /nfs/dbraw/zinc/05/19/52/1069051952.db2.gz JSSAYCFGKSNMIN-RRPNLBNLSA-N 1 1 482.632 4.403 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849482607 1069051993 /nfs/dbraw/zinc/05/19/93/1069051993.db2.gz RWYAJEVUZJTIKJ-WUFINQPMSA-N 1 1 485.676 4.168 20 0 JIADMO 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 1069056664 /nfs/dbraw/zinc/05/66/64/1069056664.db2.gz CYFZZLQLPUQTKR-MIZPHKNDSA-N 1 1 496.537 4.256 20 0 JIADMO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cn1 ZINC000849488639 1069056670 /nfs/dbraw/zinc/05/66/70/1069056670.db2.gz CYFZZLQLPUQTKR-MIZPHKNDSA-N 1 1 496.537 4.256 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cn1 ZINC000849488639 1069056683 /nfs/dbraw/zinc/05/66/83/1069056683.db2.gz CYFZZLQLPUQTKR-MIZPHKNDSA-N 1 1 496.537 4.256 20 0 JIADMO COc1ccc(-c2nc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)sc2C)cc1 ZINC000849490682 1069058523 /nfs/dbraw/zinc/05/85/23/1069058523.db2.gz WCCDLXGQODWDPV-NHCUHLMSSA-N 1 1 453.612 4.313 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cn1 ZINC000849491766 1069060437 /nfs/dbraw/zinc/06/04/37/1069060437.db2.gz UDRRWBIDMSQAAO-FCHUYYIVSA-N 1 1 454.521 4.286 20 0 JIADMO COc1ccc(-c2cc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)ccc2OC(F)F)cc1 ZINC000849493049 1069061550 /nfs/dbraw/zinc/06/15/50/1069061550.db2.gz ZINDZMOEHUCFMS-IRLDBZIGSA-N 1 1 470.520 4.371 20 0 JIADMO CCOC(=O)c1sc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849493855 1069063835 /nfs/dbraw/zinc/06/38/35/1069063835.db2.gz MODFMJKODUNMOL-WOJBJXKFSA-N 1 1 481.622 4.173 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)[C@@H](c2cnn(C)c2)C1 ZINC000849493964 1069063895 /nfs/dbraw/zinc/06/38/95/1069063895.db2.gz NUYRGUQXARKAHH-RTBURBONSA-N 1 1 460.504 4.077 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2cccc(Br)c2)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849495568 1069067647 /nfs/dbraw/zinc/06/76/47/1069067647.db2.gz DAWWJIGPOXKCMH-YADHBBJMSA-N 1 1 459.432 4.188 20 0 JIADMO CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1Cl ZINC000849496356 1069067675 /nfs/dbraw/zinc/06/76/75/1069067675.db2.gz JWTFCLJFMIICHV-CTNGQTDRSA-N 1 1 460.022 4.008 20 0 JIADMO 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 1069067780 /nfs/dbraw/zinc/06/77/80/1069067780.db2.gz FLQKQIKAXSSOLI-OBVSXPTNSA-N 1 1 468.486 4.260 20 0 JIADMO 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 1069072070 /nfs/dbraw/zinc/07/20/70/1069072070.db2.gz PNOJXMLCZYNHSW-XZZVZQAVSA-N 1 1 473.621 4.364 20 0 JIADMO Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cn2)c1 ZINC000849502298 1069073946 /nfs/dbraw/zinc/07/39/46/1069073946.db2.gz ZPSDVIKKWHWUBF-RPWUZVMVSA-N 1 1 461.610 4.355 20 0 JIADMO Cc1c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cccc1-c1nnc2n1CCCCC2 ZINC000849502291 1069074030 /nfs/dbraw/zinc/07/40/30/1069074030.db2.gz ZPQABPQRQFELMZ-XZOQPEGZSA-N 1 1 475.641 4.166 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(I)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849502404 1069074654 /nfs/dbraw/zinc/07/46/54/1069074654.db2.gz ZZIQJBLDOMCOKC-HOTGVXAUSA-N 1 1 486.785 4.131 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)cn1 ZINC000849503371 1069077705 /nfs/dbraw/zinc/07/77/05/1069077705.db2.gz IGUYVCHXOAJTDF-IEIRFRATSA-N 1 1 485.401 4.263 20 0 JIADMO COc1cc([C@H](C)NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1OC1CCCC1 ZINC000849503484 1069079535 /nfs/dbraw/zinc/07/95/35/1069079535.db2.gz YFPXPUCXTXLGJG-WUMKDDEVSA-N 1 1 468.642 4.441 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccccc2CN2CCc3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849504354 1069080555 /nfs/dbraw/zinc/08/05/55/1069080555.db2.gz OQQBZYTVOTZNSY-RPBOFIJWSA-N 1 1 457.622 4.435 20 0 JIADMO Cc1ccc(Cc2cnc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)s2)cc1F ZINC000849503895 1069081391 /nfs/dbraw/zinc/08/13/91/1069081391.db2.gz MWSWWVCLRJMETM-LEWJYISDSA-N 1 1 455.603 4.368 20 0 JIADMO Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849505032 1069085218 /nfs/dbraw/zinc/08/52/18/1069085218.db2.gz RDDAHGCVQMFKEA-DNQXCXABSA-N 1 1 465.642 4.244 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849505735 1069086326 /nfs/dbraw/zinc/08/63/26/1069086326.db2.gz JBCAPDAQNUIDTN-FTJBHMTQSA-N 1 1 465.686 4.317 20 0 JIADMO Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849507237 1069087233 /nfs/dbraw/zinc/08/72/33/1069087233.db2.gz PPUBVQMDQYZYNS-ZCYQVOJMSA-N 1 1 462.642 4.004 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)[C@H](c2cnn(C)c2)C1 ZINC000849508183 1069089014 /nfs/dbraw/zinc/08/90/14/1069089014.db2.gz SQWWLOHDSHRDDC-GOTSBHOMSA-N 1 1 492.586 4.117 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC2(c3ccc(Br)cc3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849510216 1069090688 /nfs/dbraw/zinc/09/06/88/1069090688.db2.gz PHRWHBAZMDBFSG-RTWAWAEBSA-N 1 1 459.432 4.192 20 0 JIADMO 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 1069090693 /nfs/dbraw/zinc/09/06/93/1069090693.db2.gz HZSYTQBKUSDMPS-IGKWTDBASA-N 1 1 465.642 4.053 20 0 JIADMO COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849510874 1069095560 /nfs/dbraw/zinc/09/55/60/1069095560.db2.gz LXYIBBBHFGTZSB-PFBJBMPXSA-N 1 1 478.612 4.482 20 0 JIADMO Cc1nnc(Sc2ccc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c(C)c2)s1 ZINC000849513577 1069097912 /nfs/dbraw/zinc/09/79/12/1069097912.db2.gz CMRCMGWVQBWVAR-VQTJNVASSA-N 1 1 470.668 4.492 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849514867 1069100002 /nfs/dbraw/zinc/10/00/02/1069100002.db2.gz AZNYZBBQQHQLFT-UXHICEINSA-N 1 1 462.063 4.079 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cn1 ZINC000849516689 1069104468 /nfs/dbraw/zinc/10/44/68/1069104468.db2.gz ABPCVSXYEXCAQT-FCHUYYIVSA-N 1 1 485.510 4.365 20 0 JIADMO COc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc1OCc1ccc2ccccc2n1 ZINC000849518339 1069105189 /nfs/dbraw/zinc/10/51/89/1069105189.db2.gz GRBLSQVTMVUGPK-DNQXCXABSA-N 1 1 485.588 4.230 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849518312 1069105225 /nfs/dbraw/zinc/10/52/25/1069105225.db2.gz NNOLDPJDCAHJPR-RBBKRZOGSA-N 1 1 472.033 4.152 20 0 JIADMO COc1cccc(Cc2nnc(NC(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)s2)c1 ZINC000504185588 1069106855 /nfs/dbraw/zinc/10/68/55/1069106855.db2.gz BTOYYDGVAPUMMW-QGZVFWFLSA-N 1 1 457.625 4.233 20 0 JIADMO COc1ccccc1-c1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)n(-c2ccc(C)cc2)n1 ZINC000849517872 1069106897 /nfs/dbraw/zinc/10/68/97/1069106897.db2.gz PMOJTXORLKZMIF-VWNXMTODSA-N 1 1 484.604 4.264 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)[C@H](c2cnn(C)c2)C1 ZINC000849518817 1069109000 /nfs/dbraw/zinc/10/90/00/1069109000.db2.gz SJFAPCKDPGTHMI-RJGXRXQPSA-N 1 1 462.598 4.038 20 0 JIADMO Cc1ccsc1C(=O)Nc1ccc(OC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849518872 1069109212 /nfs/dbraw/zinc/10/92/12/1069109212.db2.gz HQVVSAHYEMJVSI-FGZHOGPDSA-N 1 1 466.607 4.462 20 0 JIADMO Cc1ccsc1C(=O)Nc1ccc(OC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849518882 1069109336 /nfs/dbraw/zinc/10/93/36/1069109336.db2.gz HQVVSAHYEMJVSI-YADHBBJMSA-N 1 1 466.607 4.462 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518720 1069110167 /nfs/dbraw/zinc/11/01/67/1069110167.db2.gz OVBDJBYOZHUJSR-SFTDATJTSA-N 1 1 451.596 4.187 20 0 JIADMO COc1cccc(Cc2nnc(NC(=O)N3CCC[N@@H+](CCCc4ccccc4)CC3)s2)c1 ZINC000504192627 1069116380 /nfs/dbraw/zinc/11/63/80/1069116380.db2.gz YVBAOCGMTQXJCS-UHFFFAOYSA-N 1 1 465.623 4.310 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849526337 1069121307 /nfs/dbraw/zinc/12/13/07/1069121307.db2.gz SDXAKISNQVBELQ-YADHBBJMSA-N 1 1 492.495 4.322 20 0 JIADMO C[NH+](C)[C@@H](CNC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccco1 ZINC001354338963 1069122695 /nfs/dbraw/zinc/12/26/95/1069122695.db2.gz IPURGALBJVXRAG-HNNXBMFYSA-N 1 1 454.367 4.195 20 0 JIADMO CCCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000849527953 1069127561 /nfs/dbraw/zinc/12/75/61/1069127561.db2.gz XXCGDVMRWMCEGE-VTZPFEBOSA-N 1 1 467.564 4.157 20 0 JIADMO 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 1069142917 /nfs/dbraw/zinc/14/29/17/1069142917.db2.gz BVAWJYMZSCXFJA-PHIRODEFSA-N 1 1 463.666 4.215 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)[C@H](c2cnn(C)c2)C1 ZINC000849535546 1069156075 /nfs/dbraw/zinc/15/60/75/1069156075.db2.gz UNHSIRJJSMVWIB-VXKWHMMOSA-N 1 1 475.622 4.182 20 0 JIADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000849537861 1069160031 /nfs/dbraw/zinc/16/00/31/1069160031.db2.gz WEOWBVVANDPQGT-SMIHKQSGSA-N 1 1 496.453 4.251 20 0 JIADMO CC(C)Cn1cc([C@H]2N(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)CC23CCOCC3)cn1 ZINC000849543803 1069177671 /nfs/dbraw/zinc/17/76/71/1069177671.db2.gz VWMVGYOCQCPOEB-BJKOFHAPSA-N 1 1 486.607 4.377 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849547721 1069185734 /nfs/dbraw/zinc/18/57/34/1069185734.db2.gz JQKDILNFRCMSOL-UXHICEINSA-N 1 1 454.962 4.108 20 0 JIADMO COc1ccc(C2(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CCCCC2)cc1OC ZINC000849547943 1069185867 /nfs/dbraw/zinc/18/58/67/1069185867.db2.gz LIXCXESAYYMQBS-DNQXCXABSA-N 1 1 482.669 4.270 20 0 JIADMO COc1ccccc1CN(C[C@H]1CCCO1)c1nnc(C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300600196 1069186023 /nfs/dbraw/zinc/18/60/23/1069186023.db2.gz VRAPZFOVWCVVHV-LADGPHEKSA-N 1 1 455.647 4.149 20 0 JIADMO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)Cc1cccc(Br)c1 ZINC000849549008 1069187020 /nfs/dbraw/zinc/18/70/20/1069187020.db2.gz QAHINWMLFKSXJB-OFAXGOBFSA-N 1 1 475.475 4.382 20 0 JIADMO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849550077 1069189401 /nfs/dbraw/zinc/18/94/01/1069189401.db2.gz BKERQMMFZPPEGE-SFTDATJTSA-N 1 1 460.557 4.095 20 0 JIADMO COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849552377 1069192308 /nfs/dbraw/zinc/19/23/08/1069192308.db2.gz FBNRWLWOUPOLPU-UNMCSNQZSA-N 1 1 482.968 4.326 20 0 JIADMO COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)C1 ZINC000849552310 1069193523 /nfs/dbraw/zinc/19/35/23/1069193523.db2.gz NSWMSORHUFOWLA-IEXUWNMDSA-N 1 1 473.061 4.377 20 0 JIADMO Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)n1C ZINC000849553317 1069195011 /nfs/dbraw/zinc/19/50/11/1069195011.db2.gz RELPGMXNOTWPEA-RTWAWAEBSA-N 1 1 499.457 4.344 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)c(OC)c1 ZINC000849553130 1069196112 /nfs/dbraw/zinc/19/61/12/1069196112.db2.gz LXHQEBXLTQYAGU-KIVTUJJHSA-N 1 1 483.012 4.032 20 0 JIADMO Cc1cc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)ccc1F ZINC000849554372 1069197189 /nfs/dbraw/zinc/19/71/89/1069197189.db2.gz MNGVJUHOUBFICE-PTLVVNQVSA-N 1 1 454.977 4.462 20 0 JIADMO 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 1069199736 /nfs/dbraw/zinc/19/97/36/1069199736.db2.gz YJHCDVAQQYOWSQ-VLCRHTCISA-N 1 1 451.640 4.415 20 0 JIADMO COc1ccc(-c2ccc(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)s2)cc1 ZINC000849556686 1069204484 /nfs/dbraw/zinc/20/44/84/1069204484.db2.gz CZKNQWAASGBSCN-DHIUTWEWSA-N 1 1 452.624 4.288 20 0 JIADMO Cc1nc(CNC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)oc1-c1ccc(Cl)cc1 ZINC000849558667 1069206251 /nfs/dbraw/zinc/20/62/51/1069206251.db2.gz OUGWIJSIZRGRFT-SFTDATJTSA-N 1 1 455.990 4.167 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCOc3cc(Br)c(Cl)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849559694 1069209180 /nfs/dbraw/zinc/20/91/80/1069209180.db2.gz VYEOZLLVFJGTEU-JKSUJKDBSA-N 1 1 481.822 4.076 20 0 JIADMO 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 1069209950 /nfs/dbraw/zinc/20/99/50/1069209950.db2.gz BEYSFKAEQFQCNL-SLFFLAALSA-N 1 1 465.425 4.221 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849565459 1069214309 /nfs/dbraw/zinc/21/43/09/1069214309.db2.gz TWNJILGXYHBJBQ-SXOMAYOGSA-N 1 1 457.622 4.487 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(Br)cc2C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849572366 1069222655 /nfs/dbraw/zinc/22/26/55/1069222655.db2.gz OGARFEFORJMIAK-MSOLQXFVSA-N 1 1 487.364 4.332 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849572468 1069222941 /nfs/dbraw/zinc/22/29/41/1069222941.db2.gz MWFLOHVBPFSIAP-OALUTQOASA-N 1 1 460.504 4.077 20 0 JIADMO CCc1noc(-c2ccc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c(Cl)c2)n1 ZINC000849571881 1069223830 /nfs/dbraw/zinc/22/38/30/1069223830.db2.gz JBENINGBMIWTDP-ZWKOTPCHSA-N 1 1 456.978 4.139 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCCc2cccc(OCc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849573920 1069225139 /nfs/dbraw/zinc/22/51/39/1069225139.db2.gz VBWBCNMWNZFDHA-RRPNLBNLSA-N 1 1 460.622 4.172 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)[C@@H](c2cnn(C)c2)C1 ZINC000849575428 1069226199 /nfs/dbraw/zinc/22/61/99/1069226199.db2.gz DARQMJMZNHKQJN-NHCUHLMSSA-N 1 1 467.614 4.170 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849575268 1069227309 /nfs/dbraw/zinc/22/73/09/1069227309.db2.gz ZSSXPULVUOIZDH-BJKOFHAPSA-N 1 1 492.495 4.322 20 0 JIADMO CCCCC(=O)N1CSC[C@H]1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001354446818 1069228116 /nfs/dbraw/zinc/22/81/16/1069228116.db2.gz ZXZRQAAFIOOWNZ-RTWAWAEBSA-N 1 1 457.665 4.055 20 0 JIADMO CCCCC(=O)N1CSC[C@H]1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001354446818 1069228129 /nfs/dbraw/zinc/22/81/29/1069228129.db2.gz ZXZRQAAFIOOWNZ-RTWAWAEBSA-N 1 1 457.665 4.055 20 0 JIADMO CCC(CC)(CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(OC)c(OC)c1 ZINC000849576360 1069228195 /nfs/dbraw/zinc/22/81/95/1069228195.db2.gz CUMBHVIUBCOOTD-XZOQPEGZSA-N 1 1 470.658 4.125 20 0 JIADMO CCCc1c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1ccc(F)cc1 ZINC000849580941 1069232513 /nfs/dbraw/zinc/23/25/13/1069232513.db2.gz CZMKKGYOYQBHNL-VXKWHMMOSA-N 1 1 452.578 4.150 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)[C@H](c2cnn(C)c2)C1 ZINC000849582545 1069233773 /nfs/dbraw/zinc/23/37/73/1069233773.db2.gz NUNIOPDAYRSJOA-VXKWHMMOSA-N 1 1 478.559 4.075 20 0 JIADMO Cc1nc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)sc1Cc1cccc(Cl)c1F ZINC000849586744 1069238685 /nfs/dbraw/zinc/23/86/85/1069238685.db2.gz FTBOXUGEVMFMHR-DLBZAZTESA-N 1 1 461.994 4.242 20 0 JIADMO 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 1069243030 /nfs/dbraw/zinc/24/30/30/1069243030.db2.gz FPPWRORWWVXOMP-FKBYEOEOSA-N 1 1 464.532 4.400 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849591505 1069243522 /nfs/dbraw/zinc/24/35/22/1069243522.db2.gz JQFYJLIIYZCNCU-RTWAWAEBSA-N 1 1 458.031 4.327 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849594359 1069246035 /nfs/dbraw/zinc/24/60/35/1069246035.db2.gz XARMQVXUCDBPIJ-PMACEKPBSA-N 1 1 497.993 4.255 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc3cc(Br)cnc32)[C@@H](c2cnn(C)c2)C1 ZINC000849594350 1069246235 /nfs/dbraw/zinc/24/62/35/1069246235.db2.gz WXXULTGLTZXFNH-RTBURBONSA-N 1 1 456.388 4.183 20 0 JIADMO COC1(CNC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CCC(c2ccccc2)CC1 ZINC000849595213 1069246960 /nfs/dbraw/zinc/24/69/60/1069246960.db2.gz WQTOCMRXSHKEQH-ADOAOUCYSA-N 1 1 452.643 4.093 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849595545 1069247159 /nfs/dbraw/zinc/24/71/59/1069247159.db2.gz YHONFLZPJBWGDG-DNQXCXABSA-N 1 1 495.668 4.238 20 0 JIADMO 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 1069248055 /nfs/dbraw/zinc/24/80/55/1069248055.db2.gz YVKQQQQSARFOEA-DXIQSLLYSA-N 1 1 467.441 4.435 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849596089 1069249455 /nfs/dbraw/zinc/24/94/55/1069249455.db2.gz MVCHGNAMFBGFGT-CLJLJLNGSA-N 1 1 483.620 4.180 20 0 JIADMO 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 1069251268 /nfs/dbraw/zinc/25/12/68/1069251268.db2.gz IRBJELHEIRENDY-IAOVAPTHSA-N 1 1 457.928 4.179 20 0 JIADMO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)C1CCC(N2CCOCC2)CC1 ZINC001300624469 1069254080 /nfs/dbraw/zinc/25/40/80/1069254080.db2.gz OZUCTBUWAARSNR-UHFFFAOYSA-N 1 1 450.067 4.292 20 0 JIADMO CC[C@H](C)n1c2ccc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)cc2nc1C(F)(F)F ZINC000849599096 1069254867 /nfs/dbraw/zinc/25/48/67/1069254867.db2.gz KQTDMVGOCBDXOG-BMGDILEWSA-N 1 1 462.520 4.434 20 0 JIADMO 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 1069257165 /nfs/dbraw/zinc/25/71/65/1069257165.db2.gz DDQOHZFUDQBQQN-ISJGIBHGSA-N 1 1 495.668 4.055 20 0 JIADMO 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 1069261689 /nfs/dbraw/zinc/26/16/89/1069261689.db2.gz CNYQJKQLQAMUAI-NHCUHLMSSA-N 1 1 474.531 4.386 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(COc3ccc(F)cc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849606433 1069262683 /nfs/dbraw/zinc/26/26/83/1069262683.db2.gz PPKPUTDRZCOLHA-IZZNHLLZSA-N 1 1 464.585 4.269 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)[C@H](c2cnn(C)c2)C1 ZINC000849607423 1069263611 /nfs/dbraw/zinc/26/36/11/1069263611.db2.gz VOOQZSSUBQASOV-DXIQSLLYSA-N 1 1 454.018 4.042 20 0 JIADMO CCCCOc1ccc(-c2csc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)n2)cc1 ZINC000849607868 1069265975 /nfs/dbraw/zinc/26/59/75/1069265975.db2.gz ZKIYQBQUNMSSHU-RTWAWAEBSA-N 1 1 453.612 4.397 20 0 JIADMO COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CCN(C(=S)Nc1ccc(F)c(F)c1)CC2 ZINC001200686125 1069286389 /nfs/dbraw/zinc/28/63/89/1069286389.db2.gz ICIWEKQJBUVMIM-INIZCTEOSA-N 1 1 452.596 4.121 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CCN(C(=S)Nc1ccc(F)c(F)c1)CC2 ZINC001200686125 1069286404 /nfs/dbraw/zinc/28/64/04/1069286404.db2.gz ICIWEKQJBUVMIM-INIZCTEOSA-N 1 1 452.596 4.121 20 0 JIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)cc1 ZINC001354529719 1069304818 /nfs/dbraw/zinc/30/48/18/1069304818.db2.gz OTQGVQJACCYVFF-YKSBVNFPSA-N 1 1 451.567 4.037 20 0 JIADMO O=C1Nc2ccccc2[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]12 ZINC001164401479 718858345 /nfs/dbraw/zinc/85/83/45/718858345.db2.gz FENHXXMCHKYJBS-RTBURBONSA-N 1 1 459.619 4.338 20 0 JIADMO O=C1Nc2ccccc2[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]12 ZINC001164402245 718858487 /nfs/dbraw/zinc/85/84/87/718858487.db2.gz JSVDBSFOJNRARG-OALUTQOASA-N 1 1 459.619 4.338 20 0 JIADMO CCOC(=O)c1cc2n(n1)CCCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164409435 718866878 /nfs/dbraw/zinc/86/68/78/718866878.db2.gz QCNMJRHQZDZTEZ-UHFFFAOYSA-N 1 1 494.665 4.340 20 0 JIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(-c3cnccn3)nc3sc4c(c31)CCCC4)CC2 ZINC001164650882 719316498 /nfs/dbraw/zinc/31/64/98/719316498.db2.gz FZKVHNNFCMYKMV-UHFFFAOYSA-N 1 1 488.665 4.429 20 0 JIADMO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC001164659958 719353334 /nfs/dbraw/zinc/35/33/34/719353334.db2.gz SWWSLGZTVDLPIL-UHFFFAOYSA-N 1 1 457.626 4.162 20 0 JIADMO CCN(CC)C(=O)c1nc2c(s1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164664635 719359424 /nfs/dbraw/zinc/35/94/24/719359424.db2.gz PZWUNPGWHICAKS-UHFFFAOYSA-N 1 1 475.662 4.184 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@@H]2CC(=O)N3Cc2cccnc2)n1 ZINC001164690948 719775074 /nfs/dbraw/zinc/77/50/74/719775074.db2.gz JCGDSWQNUOXVIW-YADHBBJMSA-N 1 1 484.629 4.195 20 0 JIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(C(=O)Nc4nncs4)cc2Cl)CC3)cs1 ZINC001164691234 719814570 /nfs/dbraw/zinc/81/45/70/719814570.db2.gz BJSXYEVXWJCVON-UHFFFAOYSA-N 1 1 490.058 4.239 20 0 JIADMO Cn1cc([C@@H]2COC3(C2)CCN(c2nc(C[NH+]4CCCCC4)nc4sc5c(c42)CCC5)CC3)cn1 ZINC001164698841 719826309 /nfs/dbraw/zinc/82/63/09/719826309.db2.gz VKRYHUNTXNRIAN-IBGZPJMESA-N 1 1 492.693 4.443 20 0 JIADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC001164696690 719847827 /nfs/dbraw/zinc/84/78/27/719847827.db2.gz AXQQTZUAICMIAE-RXFWQSSRSA-N 1 1 498.986 4.322 20 0 JIADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001164706734 719868646 /nfs/dbraw/zinc/86/86/46/719868646.db2.gz QJEPITUGTNKTRC-LMKMVOKYSA-N 1 1 498.674 4.141 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696253 719893863 /nfs/dbraw/zinc/89/38/63/719893863.db2.gz DTAVZWRKXFLMSP-UHFFFAOYSA-N 1 1 450.004 4.153 20 0 JIADMO CCO[C@@H]1CN(c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)[C@H]2CCCO[C@@H]12 ZINC001164713621 720063766 /nfs/dbraw/zinc/06/37/66/720063766.db2.gz NWDWKNHKKAGGRM-YCRNBWNJSA-N 1 1 456.656 4.185 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c(OC)cccc31)CC2 ZINC001164719656 720116456 /nfs/dbraw/zinc/11/64/56/720116456.db2.gz ZSSKWTQFDHALND-LJQANCHMSA-N 1 1 468.001 4.194 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3cccc(C)c31)CC2 ZINC001164714893 720117059 /nfs/dbraw/zinc/11/70/59/720117059.db2.gz DJQNPYMHAIXKSC-FQEVSTJZSA-N 1 1 452.002 4.494 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc([C@H](CC(=O)OC)C3CC3)ccn1)CC2 ZINC001164712724 720139052 /nfs/dbraw/zinc/13/90/52/720139052.db2.gz OQQMJQCXHMOJFE-JWQCQUIFSA-N 1 1 478.637 4.041 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc([C@@H](CC(=O)OC)C3CC3)ccn1)CC2 ZINC001164712729 720139238 /nfs/dbraw/zinc/13/92/38/720139238.db2.gz OQQMJQCXHMOJFE-RPBOFIJWSA-N 1 1 478.637 4.041 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164713594 720143359 /nfs/dbraw/zinc/14/33/59/720143359.db2.gz SKDSWLSJBUOHNS-LJQANCHMSA-N 1 1 477.987 4.455 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3c(F)cccc3F)nn1)CC2 ZINC001164710784 720148894 /nfs/dbraw/zinc/14/88/94/720148894.db2.gz CNYXNICFKCEWMS-FQEVSTJZSA-N 1 1 465.548 4.324 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164815647 720170400 /nfs/dbraw/zinc/17/04/00/720170400.db2.gz ISDFARGWWSPNBS-KMRXNPHXSA-N 1 1 495.737 4.351 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)C2 ZINC001164819511 720170888 /nfs/dbraw/zinc/17/08/88/720170888.db2.gz XPAPONGHJQPAFB-CPJSRVTESA-N 1 1 455.002 4.172 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)C2 ZINC001164816355 720172987 /nfs/dbraw/zinc/17/29/87/720172987.db2.gz LAROUKDEAJSMPG-HRAATJIYSA-N 1 1 452.933 4.120 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CCC2 ZINC001164814088 720220884 /nfs/dbraw/zinc/22/08/84/720220884.db2.gz SRMHMAFOJTUXNL-UHFFFAOYSA-N 1 1 461.944 4.240 20 0 JIADMO O=C1N(CC2CC2)CC[C@]12CCCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164820295 720281250 /nfs/dbraw/zinc/28/12/50/720281250.db2.gz VMBLPSMXEZGGPI-MHZLTWQESA-N 1 1 479.694 4.395 20 0 JIADMO Cc1nc(CO[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)[C@H]3CCCO[C@@H]23)cs1 ZINC001164820396 720388233 /nfs/dbraw/zinc/38/82/33/720388233.db2.gz AOAPINLKRIEZRL-ZWEKWIFMSA-N 1 1 476.646 4.358 20 0 JIADMO Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)O2)n1 ZINC001164829129 720407599 /nfs/dbraw/zinc/40/75/99/720407599.db2.gz LSIINKMGZSNTMP-FHWLQOOXSA-N 1 1 480.638 4.356 20 0 JIADMO CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164826224 720424531 /nfs/dbraw/zinc/42/45/31/720424531.db2.gz OUJIVOCWCHIWNZ-QHAWAJNXSA-N 1 1 493.677 4.033 20 0 JIADMO c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001164734822 720438365 /nfs/dbraw/zinc/43/83/65/720438365.db2.gz UZDSJTGWVYMDEU-FGZHOGPDSA-N 1 1 474.678 4.414 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)nc1 ZINC001164725715 720496359 /nfs/dbraw/zinc/49/63/59/720496359.db2.gz JWQVEDKHJVZWKQ-FZBZCGEPSA-N 1 1 468.617 4.492 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@@H](CO[C@H]4CC(=O)N4CCCCC4)C3)c2c1C ZINC001164832986 720502792 /nfs/dbraw/zinc/50/27/92/720502792.db2.gz CFNMIPXSHIVYLG-VSKRKVRLSA-N 1 1 497.709 4.148 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)CC[C@@H]21 ZINC001164833671 720512798 /nfs/dbraw/zinc/51/27/98/720512798.db2.gz DMAIRODKZPGGGR-UWVAXJGDSA-N 1 1 460.960 4.402 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)ncc3OCc3ccccc3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840677 720549057 /nfs/dbraw/zinc/54/90/57/720549057.db2.gz SONAVGFTIOMEST-FDFHNCONSA-N 1 1 467.017 4.283 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc(Cc4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836718 720579726 /nfs/dbraw/zinc/57/97/26/720579726.db2.gz GPIYRUCKXLSWTF-ACIOBRDBSA-N 1 1 451.018 4.295 20 0 JIADMO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)o2)cc1 ZINC001164835606 720609397 /nfs/dbraw/zinc/60/93/97/720609397.db2.gz BSPJMYBXSOEYPO-YPAWHYETSA-N 1 1 457.582 4.168 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4ccncc4)nc4sccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838308 720631616 /nfs/dbraw/zinc/63/16/16/720631616.db2.gz KSIXHYILCADDMI-JAXLGGSGSA-N 1 1 459.623 4.328 20 0 JIADMO COC(=O)c1cc2c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)[nH]c(Cl)cc-2n1 ZINC001164837681 720703550 /nfs/dbraw/zinc/70/35/50/720703550.db2.gz GMFJPBAKQZDEKN-GOSISDBHSA-N 1 1 468.985 4.263 20 0 JIADMO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737925 720717959 /nfs/dbraw/zinc/71/79/59/720717959.db2.gz HTQJQSBIQFSEMS-VQTJNVASSA-N 1 1 458.953 4.082 20 0 JIADMO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737922 720718462 /nfs/dbraw/zinc/71/84/62/720718462.db2.gz HTQJQSBIQFSEMS-UXHICEINSA-N 1 1 458.953 4.082 20 0 JIADMO Clc1ccc2nc(-c3ccccc3)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164744291 720719414 /nfs/dbraw/zinc/71/94/14/720719414.db2.gz ZBJSZYOQGAOLQF-WOJBJXKFSA-N 1 1 458.953 4.082 20 0 JIADMO COC(=O)c1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c2ccccc2c1OC ZINC001164837639 720720316 /nfs/dbraw/zinc/72/03/16/720720316.db2.gz FMLIPNFCQBPSOG-NRFANRHFSA-N 1 1 475.589 4.290 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)CC2 ZINC001164840909 720723096 /nfs/dbraw/zinc/72/30/96/720723096.db2.gz SHKHUWAASXHOEZ-MHZLTWQESA-N 1 1 499.659 4.240 20 0 JIADMO C[NH+]1CCC(Oc2ccnc(N3Cc4ccccc4C4(CCN(c5ncc(F)cn5)CC4)C3)c2)CC1 ZINC001164837445 720735825 /nfs/dbraw/zinc/73/58/25/720735825.db2.gz JTMMRTSPOVBFGN-UHFFFAOYSA-N 1 1 488.611 4.042 20 0 JIADMO Cc1sc2nc(-c3cccs3)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164745294 720763212 /nfs/dbraw/zinc/76/32/12/720763212.db2.gz VACMHRAMHGTWIO-DLBZAZTESA-N 1 1 464.620 4.169 20 0 JIADMO COC[C@@]12CCCO[C@@H]1CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164846353 720828817 /nfs/dbraw/zinc/82/88/17/720828817.db2.gz DQEMPBQFWSLBFK-NLFFAJNJSA-N 1 1 452.624 4.442 20 0 JIADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746598 720836928 /nfs/dbraw/zinc/83/69/28/720836928.db2.gz PCTXQJILHJLBKM-NJDAHSKKSA-N 1 1 499.997 4.313 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC[C@H]2C1 ZINC001164852326 720844571 /nfs/dbraw/zinc/84/45/71/720844571.db2.gz KBSCTUAPRPVITE-FPOVZHCZSA-N 1 1 451.945 4.120 20 0 JIADMO Fc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164745256 720847749 /nfs/dbraw/zinc/84/77/49/720847749.db2.gz NBZMFKSTKZZRPB-POGFHVCPSA-N 1 1 483.595 4.407 20 0 JIADMO 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Cc1nc2scc(-c3cccs3)c2c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164771421 721201021 /nfs/dbraw/zinc/20/10/21/721201021.db2.gz PMCUNNFXENWAPA-ZWKOTPCHSA-N 1 1 450.637 4.420 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)C[C@@H]3C2)cn1 ZINC001164762711 721227656 /nfs/dbraw/zinc/22/76/56/721227656.db2.gz DLMQCOGAENPIKM-MOPGFXCFSA-N 1 1 458.944 4.034 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CC[C@@H]5O[C@@H](COc6cccnc6)CC[C@H]54)ccc3C2)cc1 ZINC001164879718 721247016 /nfs/dbraw/zinc/24/70/16/721247016.db2.gz YDNJAJYCQSBQHX-IEUSDUHPSA-N 1 1 456.590 4.240 20 0 JIADMO CCN1CC[C@]2(CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CC[C@@H](C)C5)C[C@H]2C)C1=O ZINC001164778371 721320559 /nfs/dbraw/zinc/32/05/59/721320559.db2.gz PRYNSXFLOUNDBM-DRGJWEBESA-N 1 1 481.710 4.497 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)c4cccc(C)c43)C2)C1 ZINC001164776822 721348643 /nfs/dbraw/zinc/34/86/43/721348643.db2.gz DCGDNCZXSMUHRH-XMMPIXPASA-N 1 1 455.990 4.315 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)ncc3F)C2)C1 ZINC001164780051 721349527 /nfs/dbraw/zinc/34/95/27/721349527.db2.gz YXOPPTZMANMZTL-HXUWFJFHSA-N 1 1 458.912 4.143 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)ncc3F)C2)C1 ZINC001164780051 721349529 /nfs/dbraw/zinc/34/95/29/721349529.db2.gz YXOPPTZMANMZTL-HXUWFJFHSA-N 1 1 458.912 4.143 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(C)c(C)c(Cl)n3)C2)C1 ZINC001164780084 721357745 /nfs/dbraw/zinc/35/77/45/721357745.db2.gz DDFCYZTUIQFWCP-OAQYLSRUSA-N 1 1 469.964 4.016 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(C)c(C)c(Cl)n3)C2)C1 ZINC001164780084 721357750 /nfs/dbraw/zinc/35/77/50/721357750.db2.gz DDFCYZTUIQFWCP-OAQYLSRUSA-N 1 1 469.964 4.016 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@@H]3CC(=O)N4c3ccsc3)c2c1C ZINC001164882366 721358229 /nfs/dbraw/zinc/35/82/29/721358229.db2.gz IITRKQUQNUALDW-ROUUACIJSA-N 1 1 453.637 4.350 20 0 JIADMO 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CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@H]2c2cccnc2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165045932 721963277 /nfs/dbraw/zinc/96/32/77/721963277.db2.gz DQKYVUFLVJOGOB-CVDCTZTESA-N 1 1 451.615 4.007 20 0 JIADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc3scc(-c4ccc(F)cc4)c31)CC2 ZINC001164945031 721978328 /nfs/dbraw/zinc/97/83/28/721978328.db2.gz ATQQOKSBBHIOML-UHFFFAOYSA-N 1 1 487.604 4.468 20 0 JIADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3scc(-c4ccc(F)cc4)c31)CC2 ZINC001164945031 721978329 /nfs/dbraw/zinc/97/83/29/721978329.db2.gz ATQQOKSBBHIOML-UHFFFAOYSA-N 1 1 487.604 4.468 20 0 JIADMO COc1cc2nc(Cl)nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2cc1OC ZINC001164953852 722015695 /nfs/dbraw/zinc/01/56/95/722015695.db2.gz ZQVSYXSPRBQCFP-UHFFFAOYSA-N 1 1 453.974 4.188 20 0 JIADMO CC(C)C(=O)N[C@@H]1[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CC[C@@H](C)C5)C[C@H]21 ZINC001164964024 722039561 /nfs/dbraw/zinc/03/95/61/722039561.db2.gz SKMXQNSKDHPUBR-NZQNYPKQSA-N 1 1 467.683 4.009 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5CCN(C(=O)c6ccco6)[C@H]5C4)c32)C1 ZINC001164960320 722048228 /nfs/dbraw/zinc/04/82/28/722048228.db2.gz VADJBXHOBOVAGE-GGPKGHCWSA-N 1 1 491.661 4.356 20 0 JIADMO Clc1ccc2c(c1)nc(Cl)nc2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964235 722055640 /nfs/dbraw/zinc/05/56/40/722055640.db2.gz TXKQSQNGHSYZAJ-UHFFFAOYSA-N 1 1 458.393 4.451 20 0 JIADMO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962199 722060818 /nfs/dbraw/zinc/06/08/18/722060818.db2.gz POVZSVPKNCTCJQ-UHFFFAOYSA-N 1 1 467.976 4.450 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C[C@@H](C(=O)NC4CCC4)C[C@@H]3C2)n1 ZINC001164978480 722085574 /nfs/dbraw/zinc/08/55/74/722085574.db2.gz ZBZOVRRIFWGIIR-REPLKXPHSA-N 1 1 455.672 4.281 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4ccccc4N(S(C)(=O)=O)C[C@@H]3C2)nc1 ZINC001164971290 722090851 /nfs/dbraw/zinc/09/08/51/722090851.db2.gz BAIVPGPDOQPGIC-MDNUFGMLSA-N 1 1 454.640 4.018 20 0 JIADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981025 722108282 /nfs/dbraw/zinc/10/82/82/722108282.db2.gz SBUHTLXPNBMKPC-OFNKIYASSA-N 1 1 485.966 4.464 20 0 JIADMO c1ccc(-c2nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc3ccccc32)cc1 ZINC001164982562 722114422 /nfs/dbraw/zinc/11/44/22/722114422.db2.gz XEFILISJBJVRDC-ZEQKJWHPSA-N 1 1 451.574 4.419 20 0 JIADMO Fc1ccc2nc(C(F)(F)N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(Cl)c2c1 ZINC001164977373 722114516 /nfs/dbraw/zinc/11/45/16/722114516.db2.gz MTAZDFIJTQXXQM-OXQOHEQNSA-N 1 1 477.918 4.090 20 0 JIADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164975189 722142308 /nfs/dbraw/zinc/14/23/08/722142308.db2.gz FIKLQADGDMLVGN-ZJSXRUAMSA-N 1 1 477.996 4.110 20 0 JIADMO c1cc(-c2nc3ccccc3c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cs1 ZINC001164975082 722143044 /nfs/dbraw/zinc/14/30/44/722143044.db2.gz DUJKHPQLFLEAJV-RDPSFJRHSA-N 1 1 457.603 4.481 20 0 JIADMO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164981538 722143047 /nfs/dbraw/zinc/14/30/47/722143047.db2.gz PGFWIHUMBWGVAC-GCJKJVERSA-N 1 1 469.948 4.184 20 0 JIADMO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981505 722147124 /nfs/dbraw/zinc/14/71/24/722147124.db2.gz PDPPHYSARDVLEK-CVDCTZTESA-N 1 1 453.949 4.058 20 0 JIADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981132 722147828 /nfs/dbraw/zinc/14/78/28/722147828.db2.gz OOUZXAFDGLAHIB-XRODADMRSA-N 1 1 483.975 4.047 20 0 JIADMO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)[C@@H]2C1 ZINC001164995301 722215664 /nfs/dbraw/zinc/21/56/64/722215664.db2.gz IBWRIUUXUUJOFQ-CEWLAPEOSA-N 1 1 497.709 4.064 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@@](C)(O)C(C)C ZINC001300650502 1069331991 /nfs/dbraw/zinc/33/19/91/1069331991.db2.gz YOVJHQYBAGERBN-MVOZIGHISA-N 1 1 499.700 4.364 20 0 JIADMO FC(F)(F)Oc1cc(Br)ccc1NC(=S)N[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001200716006 1069374646 /nfs/dbraw/zinc/37/46/46/1069374646.db2.gz YPOJMNIJQQSVFF-CQSZACIVSA-N 1 1 482.366 4.135 20 0 JIADMO COc1ccccc1SCc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@H]1CC1(C)C ZINC001300666713 1069388751 /nfs/dbraw/zinc/38/87/51/1069388751.db2.gz BANODNZHIKXHSS-LJQANCHMSA-N 1 1 473.687 4.172 20 0 JIADMO COc1ccccc1SCc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@H]1CC1(C)C ZINC001300666713 1069388769 /nfs/dbraw/zinc/38/87/69/1069388769.db2.gz BANODNZHIKXHSS-LJQANCHMSA-N 1 1 473.687 4.172 20 0 JIADMO COc1ccccc1SCc1nnc(N(C)C2CCCCC2)n1CCC[NH+]1CCOCC1 ZINC001300668040 1069393275 /nfs/dbraw/zinc/39/32/75/1069393275.db2.gz JNVDOGUZTVMNIU-UHFFFAOYSA-N 1 1 459.660 4.070 20 0 JIADMO COc1ccccc1SCc1nnc(N2C[C@H](C)CC[C@@H]2C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001300668888 1069396185 /nfs/dbraw/zinc/39/61/85/1069396185.db2.gz HJVTWNBUULAXMS-RTWAWAEBSA-N 1 1 486.730 4.230 20 0 JIADMO COc1ccccc1SCc1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@H]1CCC[N@H+]1CCCO ZINC001300670772 1069404046 /nfs/dbraw/zinc/40/40/46/1069404046.db2.gz XFFZSXIAOKNFEF-QHAWAJNXSA-N 1 1 473.687 4.051 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CCC[NH+]1CCOCC1 ZINC001300675281 1069418410 /nfs/dbraw/zinc/41/84/10/1069418410.db2.gz GFGNFBIWNWSDGE-SFHVURJKSA-N 1 1 499.603 4.080 20 0 JIADMO C/C(=C/c1ccccc1)CN(C)c1nnc(C(C)(C)C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001359347264 1069419610 /nfs/dbraw/zinc/41/96/10/1069419610.db2.gz HSWXKBDGOXJWBV-YBQMXPOVSA-N 1 1 466.674 4.058 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(C(C)C)n2CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001359350952 1069431129 /nfs/dbraw/zinc/43/11/29/1069431129.db2.gz UBRSUCHZYILBIE-QPPBQGQZSA-N 1 1 466.674 4.149 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCCCO1 ZINC001300678124 1069435454 /nfs/dbraw/zinc/43/54/54/1069435454.db2.gz YXDZMHCJPHNREW-FQEVSTJZSA-N 1 1 473.687 4.459 20 0 JIADMO CC(=O)N1CCC[C@H](Cn2c(-c3ccccc3Cl)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001359369609 1069471718 /nfs/dbraw/zinc/47/17/18/1069471718.db2.gz DCJNQUZPMUOQDG-FQEVSTJZSA-N 1 1 473.065 4.168 20 0 JIADMO CC(=O)N1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC001359371827 1069473203 /nfs/dbraw/zinc/47/32/03/1069473203.db2.gz SNMPMMCKOJIDAU-PZJWPPBQSA-N 1 1 472.703 4.070 20 0 JIADMO CC(=O)N1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC001359371825 1069473320 /nfs/dbraw/zinc/47/33/20/1069473320.db2.gz SNMPMMCKOJIDAU-CTNGQTDRSA-N 1 1 472.703 4.070 20 0 JIADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CSc4ccc(C)cc4)n3CCC(C)C)C[C@@H]2C)CC1 ZINC001359380509 1069485560 /nfs/dbraw/zinc/48/55/60/1069485560.db2.gz NGBHRWQQWBDOIC-DHLKQENFSA-N 1 1 498.741 4.304 20 0 JIADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC001359385640 1069492422 /nfs/dbraw/zinc/49/24/22/1069492422.db2.gz HRGCIOOZRUGDIM-OALUTQOASA-N 1 1 491.055 4.307 20 0 JIADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CCCC(C)C)C[C@H]2C)CC1 ZINC001359398606 1069504925 /nfs/dbraw/zinc/50/49/25/1069504925.db2.gz BVXMDQTVRBQQST-AUSIDOKSSA-N 1 1 473.065 4.024 20 0 JIADMO CC(C)=CCCn1c(CSc2ccc(C)cc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001359398562 1069504979 /nfs/dbraw/zinc/50/49/79/1069504979.db2.gz BFYGDXGFIKQJNP-DHLKQENFSA-N 1 1 496.725 4.224 20 0 JIADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001359438175 1069567737 /nfs/dbraw/zinc/56/77/37/1069567737.db2.gz VOPYEZGDRIPMQH-URXFXBBRSA-N 1 1 480.701 4.040 20 0 JIADMO CC(C)(C)C1=CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001359499386 1069753156 /nfs/dbraw/zinc/75/31/56/1069753156.db2.gz JFZOMHJWJWVHFL-UHFFFAOYSA-N 1 1 455.622 4.301 20 0 JIADMO CC(C)(C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359503983 1069771995 /nfs/dbraw/zinc/77/19/95/1069771995.db2.gz IERNCFIOHXIYFV-DEOSSOPVSA-N 1 1 495.590 4.004 20 0 JIADMO 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CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001200267311 1067904640 /nfs/dbraw/zinc/90/46/40/1067904640.db2.gz NJPHMZDGSPFKQB-UHFFFAOYSA-N 1 1 476.687 4.359 20 0 JIADMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)CCCn3ccc4cc(Cl)ccc43)cc2)CC1 ZINC001357805492 1067906406 /nfs/dbraw/zinc/90/64/06/1067906406.db2.gz WDYUQFAVOHGWGA-UHFFFAOYSA-N 1 1 452.986 4.378 20 0 JIADMO CCCN(C(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357960744 1067960490 /nfs/dbraw/zinc/96/04/90/1067960490.db2.gz YLBTZJUMEQCNBF-RDGATRHJSA-N 1 1 457.565 4.435 20 0 JIADMO COc1ccc(F)cc1CN1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001300244874 1067963614 /nfs/dbraw/zinc/96/36/14/1067963614.db2.gz ATEFIUSJEUNBLR-UHFFFAOYSA-N 1 1 486.680 4.168 20 0 JIADMO Cc1ccc(NC(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001358011718 1067984394 /nfs/dbraw/zinc/98/43/94/1067984394.db2.gz QCFYNXZPXYMQNI-RUZDIDTESA-N 1 1 458.603 4.005 20 0 JIADMO 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O=C(NCCCNc1ccc(C(F)(F)F)cn1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000490975670 1068006860 /nfs/dbraw/zinc/00/68/60/1068006860.db2.gz NVZHSELRXYLRTG-UHFFFAOYSA-N 1 1 453.534 4.273 20 0 JIADMO C[C@H](CNC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001200304511 1068026163 /nfs/dbraw/zinc/02/61/63/1068026163.db2.gz HHQMGPOAGFWMTN-HXUWFJFHSA-N 1 1 451.592 4.303 20 0 JIADMO C[C@H](CNC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001200304511 1068026174 /nfs/dbraw/zinc/02/61/74/1068026174.db2.gz HHQMGPOAGFWMTN-HXUWFJFHSA-N 1 1 451.592 4.303 20 0 JIADMO COc1ccc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300267385 1068039897 /nfs/dbraw/zinc/03/98/97/1068039897.db2.gz AQNZJFIJIMUQCY-XUZZJYLKSA-N 1 1 485.673 4.095 20 0 JIADMO Cc1[nH+]ccn1CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001492563696 1068043930 /nfs/dbraw/zinc/04/39/30/1068043930.db2.gz KAEPZJRAFJPDSQ-NRFANRHFSA-N 1 1 479.629 4.152 20 0 JIADMO COc1ccc(OCc2nnc(N3C[C@H](C)CC(C)(C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001300269486 1068045798 /nfs/dbraw/zinc/04/57/98/1068045798.db2.gz NMRCDSMZCPLZLC-JOCHJYFZSA-N 1 1 498.716 4.012 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001492564326 1068052382 /nfs/dbraw/zinc/05/23/82/1068052382.db2.gz DVZOICYBFJWAFM-QHCPKHFHSA-N 1 1 466.674 4.115 20 0 JIADMO COc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300284260 1068080510 /nfs/dbraw/zinc/08/05/10/1068080510.db2.gz UPHRUIYOSAYEGC-BGYRXZFFSA-N 1 1 477.600 4.469 20 0 JIADMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)c(OC)c1OC ZINC001358399520 1068082464 /nfs/dbraw/zinc/08/24/64/1068082464.db2.gz VWIALEAIRAJSGR-FGZHOGPDSA-N 1 1 480.630 4.348 20 0 JIADMO COc1ccc(OCc2nnc(N3CCC[C@H]3CSC)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001300286465 1068085895 /nfs/dbraw/zinc/08/58/95/1068085895.db2.gz WOCJRPAAOJUTQC-FQEVSTJZSA-N 1 1 473.687 4.320 20 0 JIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(Br)cccc1Br ZINC001358438507 1068091136 /nfs/dbraw/zinc/09/11/36/1068091136.db2.gz KBLDKFNDVLQULM-GUYCJALGSA-N 1 1 452.190 4.462 20 0 JIADMO CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001358449333 1068094564 /nfs/dbraw/zinc/09/45/64/1068094564.db2.gz KTANHRHGYCKASU-DSNGMDLFSA-N 1 1 480.653 4.353 20 0 JIADMO COc1ccc(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300304100 1068153944 /nfs/dbraw/zinc/15/39/44/1068153944.db2.gz FCHDLTRFKLICNI-WAOWUJCRSA-N 1 1 481.563 4.232 20 0 JIADMO O=C(Nc1nnc(C(F)(F)F)s1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000511304301 1068195472 /nfs/dbraw/zinc/19/54/72/1068195472.db2.gz XAYGXIDLHSWFGC-UHFFFAOYSA-N 1 1 453.412 4.362 20 0 JIADMO CC(C)[C@H](CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)[NH+]1CCC(C)CC1 ZINC001353501575 1068222773 /nfs/dbraw/zinc/22/27/73/1068222773.db2.gz OGYMGFDESAICAD-NRFANRHFSA-N 1 1 455.064 4.299 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CCC(C)C)CC2)c1 ZINC001300332982 1068287671 /nfs/dbraw/zinc/28/76/71/1068287671.db2.gz OYSUKLPQXSFRMW-AJTFRIOCSA-N 1 1 485.673 4.257 20 0 JIADMO O=C(Nc1nnc(Cc2ccccc2F)s1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000518164954 1068302793 /nfs/dbraw/zinc/30/27/93/1068302793.db2.gz AOMQRAQWNXEOAX-UHFFFAOYSA-N 1 1 461.513 4.332 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCc3nccs3)CC2)c1 ZINC001300335499 1068307393 /nfs/dbraw/zinc/30/73/93/1068307393.db2.gz SSRVINPAMZGWMM-LJQANCHMSA-N 1 1 468.671 4.458 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc([C@@H]4CCCCO4)n3CCCSC)CC2)c1 ZINC001300335912 1068310061 /nfs/dbraw/zinc/31/00/61/1068310061.db2.gz XEBWEOUWGFJVPM-UGKGYDQZSA-N 1 1 459.660 4.165 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC4CC4)n3CC[C@@H](OC)C(F)(F)F)CC2)c1 ZINC001300336033 1068310705 /nfs/dbraw/zinc/31/07/05/1068310705.db2.gz YDRFAIXSXJMUBG-DYESRHJHSA-N 1 1 481.563 4.090 20 0 JIADMO COc1cccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2CCCO[C@H]2C(C)C)c1 ZINC001300344465 1068338429 /nfs/dbraw/zinc/33/84/29/1068338429.db2.gz GXXUDWDCXWLUTM-NOZRDPDXSA-N 1 1 499.700 4.200 20 0 JIADMO COc1cccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC2(OC)CCCCC2)c1 ZINC001300346414 1068346277 /nfs/dbraw/zinc/34/62/77/1068346277.db2.gz YYSBPJQUAXIQKL-UHFFFAOYSA-N 1 1 485.673 4.098 20 0 JIADMO COc1cccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001300361215 1068389466 /nfs/dbraw/zinc/38/94/66/1068389466.db2.gz JIXFXPIGSHACCS-JTHBVZDNSA-N 1 1 455.647 4.183 20 0 JIADMO Cc1cc(=O)[nH]c2cc(C(=O)Nc3cc(NC(=O)C[N@H+]4CCCC[C@H]4C)ccc3F)ccc12 ZINC001353643098 1068394948 /nfs/dbraw/zinc/39/49/48/1068394948.db2.gz IVRQTXNAWUUVKT-MRXNPFEDSA-N 1 1 450.514 4.453 20 0 JIADMO Cc1cc(=O)[nH]c2cc(C(=O)Nc3cc(NC(=O)C[N@@H+]4CCCC[C@H]4C)ccc3F)ccc12 ZINC001353643098 1068394974 /nfs/dbraw/zinc/39/49/74/1068394974.db2.gz IVRQTXNAWUUVKT-MRXNPFEDSA-N 1 1 450.514 4.453 20 0 JIADMO COc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC2(O)CCCCC2)c1 ZINC001300370332 1068420214 /nfs/dbraw/zinc/42/02/14/1068420214.db2.gz XSWWJEDXQKZEEL-UHFFFAOYSA-N 1 1 455.647 4.206 20 0 JIADMO COc1cccc(-c2nnc(N3CC[NH+](Cc4cccs4)CC3)n2C[C@@H](OC)C(C)(C)C)c1 ZINC001300387727 1068492954 /nfs/dbraw/zinc/49/29/54/1068492954.db2.gz AAEDLCGGSDHKMA-JOCHJYFZSA-N 1 1 469.655 4.399 20 0 JIADMO COc1cccc(-c2nnc(N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2CCC(=O)NC(C)(C)C)c1 ZINC001300389957 1068502704 /nfs/dbraw/zinc/50/27/04/1068502704.db2.gz VTONZGWFWGJNOR-LJQANCHMSA-N 1 1 496.681 4.203 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001353721837 1068513166 /nfs/dbraw/zinc/51/31/66/1068513166.db2.gz STDGCJYYRMYIGE-GOSISDBHSA-N 1 1 453.384 4.040 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC001353721837 1068513184 /nfs/dbraw/zinc/51/31/84/1068513184.db2.gz STDGCJYYRMYIGE-GOSISDBHSA-N 1 1 453.384 4.040 20 0 JIADMO CN(C(=O)c1ccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001353736088 1068528081 /nfs/dbraw/zinc/52/80/81/1068528081.db2.gz VJLULMJQXXKSNF-FQEVSTJZSA-N 1 1 452.555 4.368 20 0 JIADMO COc1cccc([C@@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+](C)C3CCCCC3)CCO2)c1 ZINC001300407135 1068577774 /nfs/dbraw/zinc/57/77/74/1068577774.db2.gz NKDLRNIEKKHGPE-DEOSSOPVSA-N 1 1 455.647 4.328 20 0 JIADMO CC[N@H+]1C[C@@H](NC(=O)c2sccc2NC(=O)c2ccc(Br)cc2)C(C)(C)C1 ZINC001472057162 1068701583 /nfs/dbraw/zinc/70/15/83/1068701583.db2.gz OEBVEGZRFPJQMV-MRXNPFEDSA-N 1 1 450.402 4.223 20 0 JIADMO COc1cccc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[N@H+](C(C)C)C3)CC2)c1 ZINC001300442909 1068725254 /nfs/dbraw/zinc/72/52/54/1068725254.db2.gz VHBVYHBSUPTGPH-JOCHJYFZSA-N 1 1 468.690 4.322 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCO[C@H]3C(C)C)CC2)c1 ZINC001300449995 1068752271 /nfs/dbraw/zinc/75/22/71/1068752271.db2.gz CQEQAXBDNVGLGI-GJZUVCINSA-N 1 1 499.700 4.137 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@]3(C)CCCS3)CC2)c1 ZINC001300451613 1068758036 /nfs/dbraw/zinc/75/80/36/1068758036.db2.gz MGZBCOQLTCIDMA-VWLOTQADSA-N 1 1 473.687 4.071 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@@]3(C)CCCS3)CC2)c1 ZINC001300451610 1068758127 /nfs/dbraw/zinc/75/81/27/1068758127.db2.gz MGZBCOQLTCIDMA-RUZDIDTESA-N 1 1 473.687 4.071 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CC3(C)C)CC2)c1 ZINC001300451849 1068760103 /nfs/dbraw/zinc/76/01/03/1068760103.db2.gz PMCBEHMWGLPQEP-HXUWFJFHSA-N 1 1 455.647 4.122 20 0 JIADMO C[C@H](Oc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1 ZINC001200508196 1068784558 /nfs/dbraw/zinc/78/45/58/1068784558.db2.gz QGWXONKOTNAGRQ-BHGTWAMESA-N 1 1 450.583 4.032 20 0 JIADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC001200524889 1068820034 /nfs/dbraw/zinc/82/00/34/1068820034.db2.gz QOUUGZIHMAUIPI-HNNXBMFYSA-N 1 1 452.477 4.202 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCC1CCC(OC)CC1 ZINC001300474647 1068821688 /nfs/dbraw/zinc/82/16/88/1068821688.db2.gz KHGCMMCHEKMPDH-OIRDZHBESA-N 1 1 485.673 4.094 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCC1CCC(OC)CC1 ZINC001300474647 1068821691 /nfs/dbraw/zinc/82/16/91/1068821691.db2.gz KHGCMMCHEKMPDH-OIRDZHBESA-N 1 1 485.673 4.094 20 0 JIADMO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC001200526332 1068823400 /nfs/dbraw/zinc/82/34/00/1068823400.db2.gz PBIDGLWJBBEEMS-UHFFFAOYSA-N 1 1 457.478 4.388 20 0 JIADMO COCCOCc1ccc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001354000858 1068827043 /nfs/dbraw/zinc/82/70/43/1068827043.db2.gz YAISJHJTHWVXNA-XMMPIXPASA-N 1 1 450.604 4.441 20 0 JIADMO COCCOCc1ccc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC001354000858 1068827044 /nfs/dbraw/zinc/82/70/44/1068827044.db2.gz YAISJHJTHWVXNA-XMMPIXPASA-N 1 1 450.604 4.441 20 0 JIADMO 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COc1ccccc1-c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001300490478 1068854135 /nfs/dbraw/zinc/85/41/35/1068854135.db2.gz FEJPGSJJXKETFB-HXUWFJFHSA-N 1 1 498.672 4.179 20 0 JIADMO COCC[S@](=O)Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001200542324 1068858974 /nfs/dbraw/zinc/85/89/74/1068858974.db2.gz KKOKDZYWYJIMKZ-DLIWEFRCSA-N 1 1 457.640 4.099 20 0 JIADMO COC(=O)c1ccc(C[N@@H+]2CCN(C(=S)Nc3cc(OC)c(Cl)cc3OC)[C@@H](C)C2)cc1 ZINC001200543114 1068860349 /nfs/dbraw/zinc/86/03/49/1068860349.db2.gz VWIXRYACLMLJRA-HNNXBMFYSA-N 1 1 478.014 4.047 20 0 JIADMO COC(=O)c1ccc(C[N@H+]2CCN(C(=S)Nc3cc(OC)c(Cl)cc3OC)[C@@H](C)C2)cc1 ZINC001200543114 1068860351 /nfs/dbraw/zinc/86/03/51/1068860351.db2.gz VWIXRYACLMLJRA-HNNXBMFYSA-N 1 1 478.014 4.047 20 0 JIADMO COC(=O)N(C)Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001200548540 1068868493 /nfs/dbraw/zinc/86/84/93/1068868493.db2.gz GFSGNTZFHRMICC-ISKFKSNPSA-N 1 1 450.583 4.403 20 0 JIADMO C=Cc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001359169283 1068880210 /nfs/dbraw/zinc/88/02/10/1068880210.db2.gz BCXZECVESCIUHA-WIOPSUGQSA-N 1 1 478.685 4.393 20 0 JIADMO C=Cc1ccc(CCn2c(Cc3ccsc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001359171786 1068883541 /nfs/dbraw/zinc/88/35/41/1068883541.db2.gz ABBNWMKCUADOSY-OYRHEFFESA-N 1 1 465.667 4.362 20 0 JIADMO C=Cc1ccc(CCn2c(Cc3ccsc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001359171786 1068883542 /nfs/dbraw/zinc/88/35/42/1068883542.db2.gz ABBNWMKCUADOSY-OYRHEFFESA-N 1 1 465.667 4.362 20 0 JIADMO COc1ccccc1-c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001300518443 1068904298 /nfs/dbraw/zinc/90/42/98/1068904298.db2.gz SKRYMYPADIOVAG-NFBKMPQASA-N 1 1 455.647 4.325 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300519226 1068905609 /nfs/dbraw/zinc/90/56/09/1068905609.db2.gz AJIGXQNYGNGFOJ-HBMCJLEFSA-N 1 1 498.672 4.178 20 0 JIADMO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001300530636 1068940503 /nfs/dbraw/zinc/94/05/03/1068940503.db2.gz PTSZNLCSNPHJTR-SFTDATJTSA-N 1 1 479.673 4.265 20 0 JIADMO COc1ccccc1C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001300530926 1068941912 /nfs/dbraw/zinc/94/19/12/1068941912.db2.gz SLDCXXUDKZLDHI-WOJBJXKFSA-N 1 1 450.631 4.402 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)Cc2scnc2C)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001300536069 1068955747 /nfs/dbraw/zinc/95/57/47/1068955747.db2.gz OBQLYNIQBLMZOI-JOCHJYFZSA-N 1 1 468.671 4.399 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)C[C@H]2CCCOC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300539438 1068966523 /nfs/dbraw/zinc/96/65/23/1068966523.db2.gz GDLQQKCULPEATB-FGZHOGPDSA-N 1 1 469.674 4.251 20 0 JIADMO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc(Br)c1OC ZINC001354209743 1068980107 /nfs/dbraw/zinc/98/01/07/1068980107.db2.gz KLAYEPVSAVQCKA-SCLBCKFNSA-N 1 1 453.402 4.341 20 0 JIADMO COc1ccccc1Cc1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001300548218 1068990638 /nfs/dbraw/zinc/99/06/38/1068990638.db2.gz XVTOJEAKBVDPNE-NHCUHLMSSA-N 1 1 469.674 4.392 20 0 JIADMO Cc1ccccc1-c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001492571685 1069018635 /nfs/dbraw/zinc/01/86/35/1069018635.db2.gz GWPPFMGXCAFJLV-QHAWAJNXSA-N 1 1 461.601 4.218 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001300563529 1069041003 /nfs/dbraw/zinc/04/10/03/1069041003.db2.gz RDZJXHLFKIFHJY-FPOVZHCZSA-N 1 1 495.590 4.157 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cn1 ZINC000849482084 1069050101 /nfs/dbraw/zinc/05/01/01/1069050101.db2.gz PUJYMLDHTVOWNH-YADHBBJMSA-N 1 1 485.510 4.365 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cn1 ZINC000849482083 1069050140 /nfs/dbraw/zinc/05/01/40/1069050140.db2.gz PUJYMLDHTVOWNH-VXKWHMMOSA-N 1 1 485.510 4.365 20 0 JIADMO 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 1069052897 /nfs/dbraw/zinc/05/28/97/1069052897.db2.gz YBLXYGTYDYWXAD-QZTJIDSGSA-N 1 1 499.965 4.003 20 0 JIADMO CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849488331 1069053777 /nfs/dbraw/zinc/05/37/77/1069053777.db2.gz RNPDYTZFNCMKBJ-DHIUTWEWSA-N 1 1 474.634 4.028 20 0 JIADMO COc1cc(CCC2CCN(C(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)CC2)cc(OC)c1 ZINC000849490835 1069058519 /nfs/dbraw/zinc/05/85/19/1069058519.db2.gz KTZFRKDWFOABKB-SXOMAYOGSA-N 1 1 482.669 4.123 20 0 JIADMO COc1cc(CCC2CCN(C(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CC2)cc(OC)c1 ZINC000849490832 1069058525 /nfs/dbraw/zinc/05/85/25/1069058525.db2.gz KTZFRKDWFOABKB-RRPNLBNLSA-N 1 1 482.669 4.123 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)cn1 ZINC000849492929 1069061479 /nfs/dbraw/zinc/06/14/79/1069061479.db2.gz HFWYDLPNIHYDCM-MOPGFXCFSA-N 1 1 463.529 4.160 20 0 JIADMO COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)c1 ZINC000849493064 1069061736 /nfs/dbraw/zinc/06/17/36/1069061736.db2.gz ZROWSDHUBVINIS-AZUAARDMSA-N 1 1 469.611 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(SCc3ccccc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849493841 1069063802 /nfs/dbraw/zinc/06/38/02/1069063802.db2.gz MLVVQBYNCAUYQP-OALUTQOASA-N 1 1 456.641 4.017 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(SCc3ccccc3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849493842 1069063885 /nfs/dbraw/zinc/06/38/85/1069063885.db2.gz MLVVQBYNCAUYQP-RBUKOAKNSA-N 1 1 456.641 4.017 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cn1 ZINC000849493579 1069064709 /nfs/dbraw/zinc/06/47/09/1069064709.db2.gz YAEAQBPPZSLWBM-ZWKOTPCHSA-N 1 1 464.422 4.448 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(NC(=O)c3cccs3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849493740 1069064752 /nfs/dbraw/zinc/06/47/52/1069064752.db2.gz YYORAQQDLFUABA-RTWAWAEBSA-N 1 1 451.596 4.187 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCCO[C@@H](C)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001300568209 1069065786 /nfs/dbraw/zinc/06/57/86/1069065786.db2.gz QKYLZJCCVNGCLQ-SFTDATJTSA-N 1 1 455.647 4.003 20 0 JIADMO 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 1069067628 /nfs/dbraw/zinc/06/76/28/1069067628.db2.gz KBDPSVHCXIYGMQ-PKTZIBPZSA-N 1 1 469.630 4.240 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCCCN2c3ccccc3Sc3ccccc32)cn1 ZINC000849497443 1069068493 /nfs/dbraw/zinc/06/84/93/1069068493.db2.gz OCZPYSZWUVYPDB-LEWJYISDSA-N 1 1 461.635 4.265 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)[C@@H](c2cnn(C)c2)C1 ZINC000849496502 1069069438 /nfs/dbraw/zinc/06/94/38/1069069438.db2.gz KPTQDKZVZIUVFG-RBUKOAKNSA-N 1 1 469.973 4.371 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)cn1 ZINC000849498873 1069070554 /nfs/dbraw/zinc/07/05/54/1069070554.db2.gz BJJMYYZKHCJINN-RBZQAINGSA-N 1 1 498.096 4.086 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849499634 1069071174 /nfs/dbraw/zinc/07/11/74/1069071174.db2.gz XGAKKWMAIOBLCR-UIOOFZCWSA-N 1 1 464.585 4.269 20 0 JIADMO COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cn1 ZINC000849499632 1069071282 /nfs/dbraw/zinc/07/12/82/1069071282.db2.gz NEFQQCPJRKMSRM-YADHBBJMSA-N 1 1 463.582 4.377 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849500390 1069071312 /nfs/dbraw/zinc/07/13/12/1069071312.db2.gz HSYBYZRNIBKPQQ-NXCFDTQHSA-N 1 1 491.705 4.211 20 0 JIADMO Cc1c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cccc1-c1nnc2n1CCCCC2 ZINC000849502287 1069073826 /nfs/dbraw/zinc/07/38/26/1069073826.db2.gz ZPQABPQRQFELMZ-GOTSBHOMSA-N 1 1 475.641 4.166 20 0 JIADMO Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cn2)c1 ZINC000849502296 1069074115 /nfs/dbraw/zinc/07/41/15/1069074115.db2.gz ZPSDVIKKWHWUBF-DNQXCXABSA-N 1 1 461.610 4.355 20 0 JIADMO 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 1069075673 /nfs/dbraw/zinc/07/56/73/1069075673.db2.gz AHTQDVCXVJSIJP-QPNVDGBVSA-N 1 1 479.669 4.299 20 0 JIADMO Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849503541 1069079432 /nfs/dbraw/zinc/07/94/32/1069079432.db2.gz JGBZJCMNUOYNOS-RPWUZVMVSA-N 1 1 465.642 4.053 20 0 JIADMO COc1cc([C@H](C)NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1OC1CCCC1 ZINC000849503483 1069079448 /nfs/dbraw/zinc/07/94/48/1069079448.db2.gz YFPXPUCXTXLGJG-WDJPJFJCSA-N 1 1 468.642 4.441 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849504032 1069082339 /nfs/dbraw/zinc/08/23/39/1069082339.db2.gz BBYDIYSFKKDHGE-VWNXMTODSA-N 1 1 465.642 4.277 20 0 JIADMO CCOc1ccc(Oc2cc(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)ccn2)cc1 ZINC000849504822 1069083625 /nfs/dbraw/zinc/08/36/25/1069083625.db2.gz QVFSUQDAMMBQKP-RPBOFIJWSA-N 1 1 477.609 4.136 20 0 JIADMO COc1ccc(CN(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849506272 1069085397 /nfs/dbraw/zinc/08/53/97/1069085397.db2.gz MDCHPSQAHXLNRK-KAYWLYCHSA-N 1 1 460.622 4.472 20 0 JIADMO Cc1nc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)sc1Cc1ccccc1F ZINC000849505154 1069085463 /nfs/dbraw/zinc/08/54/63/1069085463.db2.gz RSKOEPZZVDEURK-UXHICEINSA-N 1 1 455.603 4.368 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccccc2SC[C@@H]2CC2(Cl)Cl)cn1 ZINC000849507359 1069088015 /nfs/dbraw/zinc/08/80/15/1069088015.db2.gz ZBSBMJVSZGQNEF-ULQDDVLXSA-N 1 1 453.439 4.380 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cn1 ZINC000849507357 1069088071 /nfs/dbraw/zinc/08/80/71/1069088071.db2.gz ZBSBMJVSZGQNEF-IXDOHACOSA-N 1 1 453.439 4.380 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N[C@H](C)CCc2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849507586 1069089777 /nfs/dbraw/zinc/08/97/77/1069089777.db2.gz QETHVLXZJYVIHC-YHYVQYDKSA-N 1 1 461.448 4.134 20 0 JIADMO 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 1069089965 /nfs/dbraw/zinc/08/99/65/1069089965.db2.gz UUFJNFKVBHCVES-FGZHOGPDSA-N 1 1 466.605 4.495 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849510073 1069091848 /nfs/dbraw/zinc/09/18/48/1069091848.db2.gz OHKOTANYXDSNFP-VQTJNVASSA-N 1 1 459.566 4.198 20 0 JIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc(Br)cc(N4CCCC4)c3)cc2)CC1 ZINC001354307714 1069094726 /nfs/dbraw/zinc/09/47/26/1069094726.db2.gz IFZZXWLRALPNDH-UHFFFAOYSA-N 1 1 457.416 4.444 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849511711 1069096199 /nfs/dbraw/zinc/09/61/99/1069096199.db2.gz SUKCPAIBVIPMFC-LOSJGSFVSA-N 1 1 465.642 4.069 20 0 JIADMO CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2s1 ZINC000849512474 1069096292 /nfs/dbraw/zinc/09/62/92/1069096292.db2.gz FVYDPECMFFQANQ-ZWKOTPCHSA-N 1 1 470.599 4.051 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849515110 1069099858 /nfs/dbraw/zinc/09/98/58/1069099858.db2.gz FFRHSCMDKIALBC-MOPGFXCFSA-N 1 1 475.424 4.424 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849516360 1069100875 /nfs/dbraw/zinc/10/08/75/1069100875.db2.gz KATNRGISYSDGMY-ZWKOTPCHSA-N 1 1 475.424 4.424 20 0 JIADMO 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 1069104103 /nfs/dbraw/zinc/10/41/03/1069104103.db2.gz KUSYIKRKPNSURO-VQTJNVASSA-N 1 1 471.602 4.228 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849517634 1069107212 /nfs/dbraw/zinc/10/72/12/1069107212.db2.gz MEHWJMFJBMBNPP-JWQCQUIFSA-N 1 1 471.605 4.076 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)[C@@H](c2cnn(C)c2)C1 ZINC000849518823 1069109275 /nfs/dbraw/zinc/10/92/75/1069109275.db2.gz SJFAPCKDPGTHMI-YTFSRNRJSA-N 1 1 462.598 4.038 20 0 JIADMO COc1cccc(-c2cc(NC(=O)[C@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)n(-c3ccc(C)cc3)n2)c1 ZINC000849519812 1069111929 /nfs/dbraw/zinc/11/19/29/1069111929.db2.gz WZQJHEKBSWJFEJ-DQEYMECFSA-N 1 1 484.604 4.264 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)cn1 ZINC000849520073 1069112061 /nfs/dbraw/zinc/11/20/61/1069112061.db2.gz XPMGDMQGAJHJAZ-RMDSEJHCSA-N 1 1 492.067 4.043 20 0 JIADMO COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849521236 1069112449 /nfs/dbraw/zinc/11/24/49/1069112449.db2.gz RNISFAGSBYQQTH-VSGBNLITSA-N 1 1 490.648 4.480 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c2ccccc2)cc1Br ZINC000849521440 1069114436 /nfs/dbraw/zinc/11/44/36/1069114436.db2.gz SOMROHCMPBGTAE-YZUZCNPQSA-N 1 1 497.437 4.132 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849521964 1069115197 /nfs/dbraw/zinc/11/51/97/1069115197.db2.gz IFPMAWSCANBABH-LOSJGSFVSA-N 1 1 472.593 4.099 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cn1 ZINC000849522712 1069116548 /nfs/dbraw/zinc/11/65/48/1069116548.db2.gz NOURWTFEMNHDFU-VQTJNVASSA-N 1 1 459.472 4.300 20 0 JIADMO O=C(Nc1nnc(Cc2cccc(F)c2)s1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000504192592 1069116558 /nfs/dbraw/zinc/11/65/58/1069116558.db2.gz YJCADGHDIXBRNV-UHFFFAOYSA-N 1 1 453.587 4.440 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849522704 1069116715 /nfs/dbraw/zinc/11/67/15/1069116715.db2.gz NKRSJHYAQPQGCY-RBBKRZOGSA-N 1 1 472.033 4.152 20 0 JIADMO CCOc1ccc(-c2csc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)cc1 ZINC000849523697 1069117391 /nfs/dbraw/zinc/11/73/91/1069117391.db2.gz DVYUIXWLTIUAIB-LEWJYISDSA-N 1 1 453.612 4.395 20 0 JIADMO COc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849525035 1069120072 /nfs/dbraw/zinc/12/00/72/1069120072.db2.gz MFFJPLNEWVOPKP-DNQXCXABSA-N 1 1 462.594 4.351 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCCc3cc(CNC(=O)OC(C)(C)C)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849526289 1069121094 /nfs/dbraw/zinc/12/10/94/1069121094.db2.gz RJSDIFTWQGSEGC-ZEQRLZLVSA-N 1 1 495.668 4.238 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)cn1 ZINC000849526074 1069123139 /nfs/dbraw/zinc/12/31/39/1069123139.db2.gz UEUHWZXAOZYVHM-TZIWHRDSSA-N 1 1 490.583 4.218 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849527070 1069124165 /nfs/dbraw/zinc/12/41/65/1069124165.db2.gz UGSPAELEKOEOFM-FCHUYYIVSA-N 1 1 481.000 4.173 20 0 JIADMO 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 1069125981 /nfs/dbraw/zinc/12/59/81/1069125981.db2.gz GNPDUWUZGLZCDZ-DNQXCXABSA-N 1 1 481.641 4.166 20 0 JIADMO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)Cc1ccc(Cl)cc1Cl ZINC000849534387 1069142657 /nfs/dbraw/zinc/14/26/57/1069142657.db2.gz IFWUHPVOQUCBLT-IOMROCGXSA-N 1 1 451.442 4.393 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CC23CCOCC3)cn1 ZINC000849534892 1069149168 /nfs/dbraw/zinc/14/91/68/1069149168.db2.gz LTCAJFUGCITNMJ-RDGATRHJSA-N 1 1 468.617 4.271 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)[C@H](c2cnn(C)c2)C1 ZINC000849535547 1069155648 /nfs/dbraw/zinc/15/56/48/1069155648.db2.gz UNHSIRJJSMVWIB-YADHBBJMSA-N 1 1 475.622 4.182 20 0 JIADMO COc1ccccc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300592417 1069159903 /nfs/dbraw/zinc/15/99/03/1069159903.db2.gz UNLWLKHMGREADD-KDURUIRLSA-N 1 1 485.032 4.138 20 0 JIADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000849539352 1069162705 /nfs/dbraw/zinc/16/27/05/1069162705.db2.gz SOVGUGJBHYNMQR-AOHZBQACSA-N 1 1 452.002 4.142 20 0 JIADMO CN(Cc1ccccc1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)C(=O)c1cc2ccccc2o1 ZINC000849550473 1069189674 /nfs/dbraw/zinc/18/96/74/1069189674.db2.gz XQNPLDOWHAMGAV-XZOQPEGZSA-N 1 1 485.588 4.113 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)cn1 ZINC000849551921 1069193894 /nfs/dbraw/zinc/19/38/94/1069193894.db2.gz GXFMCKTXPDIQCF-SFTDATJTSA-N 1 1 481.000 4.069 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@](C)(Cc2cccc(Br)c2)c2ccccc2)cn1 ZINC000849553330 1069194624 /nfs/dbraw/zinc/19/46/24/1069194624.db2.gz IXTOKRSRBVYBTM-KYPHJKQUSA-N 1 1 495.465 4.492 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC2(c3ccc(Br)cc3)CCCCC2)cn1 ZINC000849554233 1069197284 /nfs/dbraw/zinc/19/72/84/1069197284.db2.gz VJMCPECYVWJFPH-FCHUYYIVSA-N 1 1 473.459 4.236 20 0 JIADMO CSc1cccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c2cc(F)ccc2F)c1 ZINC000849555187 1069199642 /nfs/dbraw/zinc/19/96/42/1069199642.db2.gz QAJPDZFKJJLVFM-BKULYWANSA-N 1 1 470.589 4.361 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849554898 1069200983 /nfs/dbraw/zinc/20/09/83/1069200983.db2.gz WQNNQEYWPAGENC-XZOQPEGZSA-N 1 1 499.457 4.074 20 0 JIADMO 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 1069204532 /nfs/dbraw/zinc/20/45/32/1069204532.db2.gz DWPIEIMQJSUDSD-UHOSZYNNSA-N 1 1 475.431 4.119 20 0 JIADMO 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 1069204577 /nfs/dbraw/zinc/20/45/77/1069204577.db2.gz MXLSAHNLJSTTHZ-DNRSQYFGSA-N 1 1 499.659 4.450 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc3c2CCN3C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849558711 1069206674 /nfs/dbraw/zinc/20/66/74/1069206674.db2.gz PPOPEFISKJXCKK-CTNGQTDRSA-N 1 1 467.614 4.170 20 0 JIADMO Cc1nc(CNC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)oc1-c1ccc(Cl)cc1 ZINC000849558665 1069206969 /nfs/dbraw/zinc/20/69/69/1069206969.db2.gz OUGWIJSIZRGRFT-NHCUHLMSSA-N 1 1 455.990 4.167 20 0 JIADMO COc1ccc(-c2csc(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c2)cc1 ZINC000849560217 1069208055 /nfs/dbraw/zinc/20/80/55/1069208055.db2.gz ZFBITYLFJFQTPZ-DNQXCXABSA-N 1 1 452.624 4.288 20 0 JIADMO COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CCN(C(=S)Nc1cc(F)cc(F)c1)CC2 ZINC001200662448 1069210048 /nfs/dbraw/zinc/21/00/48/1069210048.db2.gz JSHYITUIQCAWFR-SFHVURJKSA-N 1 1 452.596 4.121 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CCN(C(=S)Nc1cc(F)cc(F)c1)CC2 ZINC001200662448 1069210075 /nfs/dbraw/zinc/21/00/75/1069210075.db2.gz JSHYITUIQCAWFR-SFHVURJKSA-N 1 1 452.596 4.121 20 0 JIADMO COc1ccc(F)cc1-c1csc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n1 ZINC000849562179 1069210416 /nfs/dbraw/zinc/21/04/16/1069210416.db2.gz JTJSRUDDOJDYNS-IEBWSBKVSA-N 1 1 457.575 4.144 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N(Cc2ccccc2Br)C2CCCC2)cn1 ZINC000849562555 1069213520 /nfs/dbraw/zinc/21/35/20/1069213520.db2.gz FHRRWJAIAKHJEW-SFTDATJTSA-N 1 1 459.432 4.189 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCc2cc(Cl)ccc2Br)[C@H](c2cnn(C)c2)C1 ZINC000849566238 1069215143 /nfs/dbraw/zinc/21/51/43/1069215143.db2.gz ZRMIPQCFRLHFLU-MOPGFXCFSA-N 1 1 467.839 4.009 20 0 JIADMO 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 1069216488 /nfs/dbraw/zinc/21/64/88/1069216488.db2.gz XPPGHDFRHYOYRA-WDJPJFJCSA-N 1 1 483.657 4.136 20 0 JIADMO 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 1069226126 /nfs/dbraw/zinc/22/61/26/1069226126.db2.gz JVWGCOASWIYCEX-RBZQAINGSA-N 1 1 486.538 4.389 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCC2CCOCC2)CC1 ZINC001300614784 1069227457 /nfs/dbraw/zinc/22/74/57/1069227457.db2.gz KXSPPHHHFHTPLE-UHFFFAOYSA-N 1 1 455.647 4.014 20 0 JIADMO COc1ccccc1CN1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001300615312 1069228532 /nfs/dbraw/zinc/22/85/32/1069228532.db2.gz QXANMPXUDHPGAF-XMMPIXPASA-N 1 1 482.717 4.175 20 0 JIADMO 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 1069230846 /nfs/dbraw/zinc/23/08/46/1069230846.db2.gz XNFZGRRLILUWTF-IEZWGBDMSA-N 1 1 474.474 4.255 20 0 JIADMO CCc1c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cnn1-c1cccc(Cl)c1 ZINC000849582498 1069233258 /nfs/dbraw/zinc/23/32/58/1069233258.db2.gz NLRKRVZHZGFBQN-NHCUHLMSSA-N 1 1 455.006 4.274 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849582297 1069233393 /nfs/dbraw/zinc/23/33/93/1069233393.db2.gz MGHYXOQLOKMLPT-MSOLQXFVSA-N 1 1 450.568 4.137 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849582303 1069233419 /nfs/dbraw/zinc/23/34/19/1069233419.db2.gz MGHYXOQLOKMLPT-ZWKOTPCHSA-N 1 1 450.568 4.137 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849583118 1069233901 /nfs/dbraw/zinc/23/39/01/1069233901.db2.gz RJCWTSLDKJLLOU-BHDDXSALSA-N 1 1 464.639 4.192 20 0 JIADMO CCc1c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cnn1-c1ccc(Cl)cc1 ZINC000849582701 1069234121 /nfs/dbraw/zinc/23/41/21/1069234121.db2.gz ONGVHUZBZUVVPK-LEWJYISDSA-N 1 1 455.006 4.274 20 0 JIADMO 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 1069234957 /nfs/dbraw/zinc/23/49/57/1069234957.db2.gz WWHXXQCFNOHSPZ-NEWSRXKRSA-N 1 1 453.414 4.078 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849585207 1069235319 /nfs/dbraw/zinc/23/53/19/1069235319.db2.gz AEFBIYXZMWSXER-IAGOWNOFSA-N 1 1 458.912 4.467 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Br)c3cccnc23)[C@@H](c2cnn(C)c2)C1 ZINC000849589245 1069240596 /nfs/dbraw/zinc/24/05/96/1069240596.db2.gz WFFSKTFTTWDWDG-FUHWJXTLSA-N 1 1 456.388 4.183 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)[C@H](c2cnn(C)c2)C1 ZINC000849590387 1069241162 /nfs/dbraw/zinc/24/11/62/1069241162.db2.gz YHYKDWHGTSVXOH-PMACEKPBSA-N 1 1 488.474 4.258 20 0 JIADMO CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849589719 1069241981 /nfs/dbraw/zinc/24/19/81/1069241981.db2.gz SYOWPGPODQWEAA-SJBKTWHCSA-N 1 1 473.459 4.360 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(Nc3cccc(Br)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849590247 1069242293 /nfs/dbraw/zinc/24/22/93/1069242293.db2.gz XYGDPHJDFDPCSC-DHIUTWEWSA-N 1 1 488.474 4.100 20 0 JIADMO COc1ccccc1O[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300620735 1069243470 /nfs/dbraw/zinc/24/34/70/1069243470.db2.gz NYFVOZVBVRTNHN-OAQYLSRUSA-N 1 1 478.641 4.051 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849592226 1069243546 /nfs/dbraw/zinc/24/35/46/1069243546.db2.gz NSRJLKYCNLGCCP-ZWKOTPCHSA-N 1 1 494.543 4.290 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)cn1 ZINC000849591653 1069244504 /nfs/dbraw/zinc/24/45/04/1069244504.db2.gz KDCFIQSCCOEXHN-YHELAOLJSA-N 1 1 457.416 4.291 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849594362 1069246292 /nfs/dbraw/zinc/24/62/92/1069246292.db2.gz XARMQVXUCDBPIJ-WOJBJXKFSA-N 1 1 497.993 4.255 20 0 JIADMO COC1(CNC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)CCC(c2ccccc2)CC1 ZINC000849595214 1069246833 /nfs/dbraw/zinc/24/68/33/1069246833.db2.gz WQTOCMRXSHKEQH-JAHKOMQMSA-N 1 1 452.643 4.093 20 0 JIADMO 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 1069250874 /nfs/dbraw/zinc/25/08/74/1069250874.db2.gz JTQUSZFEDIPBJZ-LMDOGRNLSA-N 1 1 478.559 4.241 20 0 JIADMO COc1ccccc1O[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001300623335 1069251245 /nfs/dbraw/zinc/25/12/45/1069251245.db2.gz XSJLNDQZKIMAJB-NHCUHLMSSA-N 1 1 485.673 4.032 20 0 JIADMO Cc1cc(CC(C)(C)NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1Br ZINC000849596883 1069253139 /nfs/dbraw/zinc/25/31/39/1069253139.db2.gz QBVQYYIYXYXVHU-SFTDATJTSA-N 1 1 475.475 4.442 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849597998 1069254457 /nfs/dbraw/zinc/25/44/57/1069254457.db2.gz WOAYAYWXJFNWAT-VJBMBRPKSA-N 1 1 473.459 4.088 20 0 JIADMO COc1ccccc1OCc1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300624745 1069254935 /nfs/dbraw/zinc/25/49/35/1069254935.db2.gz BBRFGGQNTGSMJD-BXXSPATCSA-N 1 1 485.673 4.380 20 0 JIADMO 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 1069256939 /nfs/dbraw/zinc/25/69/39/1069256939.db2.gz BLGUGKFMCKKVBD-OYDLWJJNSA-N 1 1 467.658 4.117 20 0 JIADMO 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 1069262318 /nfs/dbraw/zinc/26/23/18/1069262318.db2.gz NFKCOJNNCHNXPI-PKTZIBPZSA-N 1 1 469.630 4.206 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Cl)c(I)c2)[C@H](c2cnn(C)c2)C1 ZINC000849605919 1069262764 /nfs/dbraw/zinc/26/27/64/1069262764.db2.gz KMBLWAIIQTZIES-CVEARBPZSA-N 1 1 486.785 4.131 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cccc(Oc3ccccc3F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849610249 1069267659 /nfs/dbraw/zinc/26/76/59/1069267659.db2.gz YTGBYMMFSXVRLF-PKTZIBPZSA-N 1 1 450.558 4.482 20 0 JIADMO 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 1069267769 /nfs/dbraw/zinc/26/77/69/1069267769.db2.gz FVGAKMSOSVKBJT-AYVPJYCDSA-N 1 1 489.705 4.166 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC2(Cc3ccc(Br)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849611333 1069269241 /nfs/dbraw/zinc/26/92/41/1069269241.db2.gz WOSWVCDAHNLVPX-FCHUYYIVSA-N 1 1 473.459 4.136 20 0 JIADMO 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 1069270409 /nfs/dbraw/zinc/27/04/09/1069270409.db2.gz QSBZVPCTHUWJAH-VABKMULXSA-N 1 1 459.034 4.266 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)cn1 ZINC000849611572 1069273315 /nfs/dbraw/zinc/27/33/15/1069273315.db2.gz CPACHQZSULSDSP-IAGOWNOFSA-N 1 1 480.922 4.167 20 0 JIADMO Cc1ccccc1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001492591369 1069302669 /nfs/dbraw/zinc/30/26/69/1069302669.db2.gz BCALFVANRTWCMG-QFIPXVFZSA-N 1 1 469.033 4.175 20 0 JIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@H]3C)nc1 ZINC001164428016 718951923 /nfs/dbraw/zinc/95/19/23/718951923.db2.gz HTAANTJSZSGRBQ-DHLKQENFSA-N 1 1 477.653 4.118 20 0 JIADMO O=C(c1cccnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CCN(Cc2ccccc2)CC1 ZINC001164628974 719086894 /nfs/dbraw/zinc/08/68/94/719086894.db2.gz PHHHQGBGBFBLEC-PXJZQJOASA-N 1 1 495.671 4.140 20 0 JIADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cn1 ZINC001164643588 719236006 /nfs/dbraw/zinc/23/60/06/719236006.db2.gz ZKSWTFVBNIJRHM-FGZHOGPDSA-N 1 1 464.635 4.002 20 0 JIADMO Cc1noc([C@@H]2C[C@H]3CCN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@H]3O2)n1 ZINC001164652642 719301197 /nfs/dbraw/zinc/30/11/97/719301197.db2.gz NSBGCDSZDHMNGI-YZGWKJHDSA-N 1 1 476.606 4.468 20 0 JIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164653651 719314968 /nfs/dbraw/zinc/31/49/68/719314968.db2.gz ZCMFYFNARZMCRW-UHFFFAOYSA-N 1 1 455.990 4.467 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)n1 ZINC001164695844 719826691 /nfs/dbraw/zinc/82/66/91/719826691.db2.gz GEJGCPAVWIGKCT-IBGZPJMESA-N 1 1 468.671 4.427 20 0 JIADMO COC[C@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CC[C@H](C)C4)Cc2cn(C)nc21 ZINC001164695781 719832732 /nfs/dbraw/zinc/83/27/32/719832732.db2.gz OQBRGIOICQQUTD-PKOBYXMFSA-N 1 1 480.682 4.286 20 0 JIADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2F)nc2ccc(Cl)cc21 ZINC001164701370 719847626 /nfs/dbraw/zinc/84/76/26/719847626.db2.gz MAMMWFGDVDCRQE-DWXRJYCRSA-N 1 1 498.986 4.322 20 0 JIADMO Fc1cc2nc(Cl)c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc2cc1F ZINC001164694927 719890627 /nfs/dbraw/zinc/89/06/27/719890627.db2.gz HLZWQRFYEAEZDX-UHFFFAOYSA-N 1 1 450.942 4.494 20 0 JIADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694625 719890715 /nfs/dbraw/zinc/89/07/15/719890715.db2.gz BDRIYGLRMXSILJ-UHFFFAOYSA-N 1 1 484.647 4.315 20 0 JIADMO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694625 719890717 /nfs/dbraw/zinc/89/07/17/719890717.db2.gz BDRIYGLRMXSILJ-UHFFFAOYSA-N 1 1 484.647 4.315 20 0 JIADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164705878 719904217 /nfs/dbraw/zinc/90/42/17/719904217.db2.gz DZGMKMQYWYTUKF-UHFFFAOYSA-N 1 1 481.956 4.263 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccnc(Cl)c1F)CC2 ZINC001164712486 720096531 /nfs/dbraw/zinc/09/65/31/720096531.db2.gz WBJCYEKWRMWZGH-QGZVFWFLSA-N 1 1 454.924 4.322 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)NC1CCCCC1)CC2 ZINC001164711084 720099928 /nfs/dbraw/zinc/09/99/28/720099928.db2.gz NWWWXUUVMFLKAM-DEOSSOPVSA-N 1 1 477.653 4.047 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccc(OC)cc3nc1Cl)CC2 ZINC001164716951 720112687 /nfs/dbraw/zinc/11/26/87/720112687.db2.gz MDLOLYQRYGQQHG-LJQANCHMSA-N 1 1 468.001 4.194 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cncc(Oc3cccc(OC)c3)n1)CC2 ZINC001164712570 720131260 /nfs/dbraw/zinc/13/12/60/720131260.db2.gz NNVLCIHFXRJCFU-QFIPXVFZSA-N 1 1 475.593 4.180 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(-c3ccccn3)nc(C)c1C)CC2 ZINC001164713055 720148347 /nfs/dbraw/zinc/14/83/47/720148347.db2.gz PPHPTQBADYGURX-HSZRJFAPSA-N 1 1 458.610 4.058 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)C2 ZINC001164815541 720150446 /nfs/dbraw/zinc/15/04/46/720150446.db2.gz ICSDHZYNOVXGNA-LBNVMWSVSA-N 1 1 463.622 4.369 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164714384 720154703 /nfs/dbraw/zinc/15/47/03/720154703.db2.gz WQWPADMLNGKYFD-HXUWFJFHSA-N 1 1 453.587 4.247 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3scc(-c4ccccc4)c31)CCC2 ZINC001164812093 720215506 /nfs/dbraw/zinc/21/55/06/720215506.db2.gz DBGDTGBCKXVPFD-UHFFFAOYSA-N 1 1 460.607 4.166 20 0 JIADMO Cc1ccc(-c2nc3ccccc3c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)n2)cc1 ZINC001164812344 720229038 /nfs/dbraw/zinc/22/90/38/720229038.db2.gz FXHWRLALOLYCGI-UHFFFAOYSA-N 1 1 468.605 4.412 20 0 JIADMO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721132 720334739 /nfs/dbraw/zinc/33/47/39/720334739.db2.gz ANCVBZOFHRJZRO-LEWJYISDSA-N 1 1 499.949 4.280 20 0 JIADMO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721132 720334746 /nfs/dbraw/zinc/33/47/46/720334746.db2.gz ANCVBZOFHRJZRO-LEWJYISDSA-N 1 1 499.949 4.280 20 0 JIADMO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)O2)n1 ZINC001164831064 720408677 /nfs/dbraw/zinc/40/86/77/720408677.db2.gz ULTKBCCZSGBZNL-KURKYZTESA-N 1 1 454.600 4.094 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@H](CO[C@H]4CC(=O)N4CCCCC4)C3)c2c1C ZINC001164832981 720502797 /nfs/dbraw/zinc/50/27/97/720502797.db2.gz CFNMIPXSHIVYLG-BDTNDASRSA-N 1 1 497.709 4.148 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839063 720519924 /nfs/dbraw/zinc/51/99/24/720519924.db2.gz SJSHTLIYMKBOMH-PLMTUMEDSA-N 1 1 460.960 4.402 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1Cl ZINC001164841315 720522493 /nfs/dbraw/zinc/52/24/93/720522493.db2.gz YHHRERDSIAWJJX-JFIYKMOQSA-N 1 1 466.413 4.139 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)ncc3OCc3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840675 720550051 /nfs/dbraw/zinc/55/00/51/720550051.db2.gz SONAVGFTIOMEST-BHIFYINESA-N 1 1 467.017 4.283 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4c3ccn4Cc3ccccc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837328 720556165 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720656070 /nfs/dbraw/zinc/65/60/70/720656070.db2.gz KMUQQKXLBGSEKB-PMACEKPBSA-N 1 1 457.912 4.079 20 0 JIADMO Fc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164737585 720661208 /nfs/dbraw/zinc/66/12/08/720661208.db2.gz GKOKGYKFBPASPI-WOJBJXKFSA-N 1 1 476.943 4.221 20 0 JIADMO COc1cc2nc(C)nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2cc1OC ZINC001164844815 720691947 /nfs/dbraw/zinc/69/19/47/720691947.db2.gz UZCMTRVXHHZQKF-OAQYLSRUSA-N 1 1 462.594 4.215 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)CC2 ZINC001164842704 720692131 /nfs/dbraw/zinc/69/21/31/720692131.db2.gz MUTWIBNZFNJYQY-QFIPXVFZSA-N 1 1 491.636 4.238 20 0 JIADMO CC[C@@H]1N(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)CCC[C@@]12CCC(=O)N2 ZINC001164846449 720755831 /nfs/dbraw/zinc/75/58/31/720755831.db2.gz IZXPJFIPNKRQCO-UQBPGWFLSA-N 1 1 453.656 4.194 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CC[C@@H]5O[C@@H](COCc6ccccn6)CC[C@@H]54)ccc3C2)cc1 ZINC001164849433 720772147 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JAHKGWNNOLBSNV-OAHLLOKOSA-N 1 1 452.434 4.392 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CCC[C@@]5(C[C@@H](OCc6ccccn6)CO5)C4)ccc3C2)cc1 ZINC001164763727 721027676 /nfs/dbraw/zinc/02/76/76/721027676.db2.gz KTTWXALMSCJXGI-GGXMVOPNSA-N 1 1 470.617 4.380 20 0 JIADMO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164864539 721088939 /nfs/dbraw/zinc/08/89/39/721088939.db2.gz GETQJVWXKRAPOP-NHCUHLMSSA-N 1 1 481.959 4.001 20 0 JIADMO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)cc1 ZINC001164770455 721099698 /nfs/dbraw/zinc/09/96/98/721099698.db2.gz QHRQIXWLHBVHMR-RTWAWAEBSA-N 1 1 472.568 4.136 20 0 JIADMO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164863497 721110039 /nfs/dbraw/zinc/11/00/39/721110039.db2.gz CKPYGFDDPSJNSJ-VQTJNVASSA-N 1 1 471.939 4.217 20 0 JIADMO CSCc1nc2sc3c(c2c(N2CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C2)n1)CCCC3 ZINC001164874513 721145793 /nfs/dbraw/zinc/14/57/93/721145793.db2.gz KIXTYDWDUCXAFK-OALUTQOASA-N 1 1 481.691 4.308 20 0 JIADMO CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164762748 721167577 /nfs/dbraw/zinc/16/75/77/721167577.db2.gz DPERARMCLWTUCJ-RBUKOAKNSA-N 1 1 498.002 4.410 20 0 JIADMO Clc1ccc(-c2nc3c(c(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)n2)CCC3)s1 ZINC001164880411 721170119 /nfs/dbraw/zinc/17/01/19/721170119.db2.gz WJHLWUJINXJJIS-QZTJIDSGSA-N 1 1 468.026 4.222 20 0 JIADMO Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164881189 721184917 /nfs/dbraw/zinc/18/49/17/721184917.db2.gz ZOAVBJJRCJAPIN-PZJWPPBQSA-N 1 1 451.958 4.105 20 0 JIADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164867142 721187700 /nfs/dbraw/zinc/18/77/00/721187700.db2.gz DZDZWMIKGKEJFO-IRLDBZIGSA-N 1 1 465.985 4.359 20 0 JIADMO Fc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164870196 721194628 /nfs/dbraw/zinc/19/46/28/721194628.db2.gz UJGJNJDOINOFPQ-VQTJNVASSA-N 1 1 489.929 4.356 20 0 JIADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867032 721196098 /nfs/dbraw/zinc/19/60/98/721196098.db2.gz DQPFFOLRBOXKBO-MOPGFXCFSA-N 1 1 462.972 4.424 20 0 JIADMO CSCc1nc2sc3c(c2c(N2C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C2)n1)CCCC3 ZINC001164770095 721201797 /nfs/dbraw/zinc/20/17/97/721201797.db2.gz MZMDVYIMDNBOKG-ZWKOTPCHSA-N 1 1 468.696 4.125 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cccc(-c5ccc(Cl)nn5)c4)C[C@@H]3C2)cn1 ZINC001164761227 721217487 /nfs/dbraw/zinc/21/74/87/721217487.db2.gz AHWUFQBCZQTQSB-OALUTQOASA-N 1 1 458.944 4.034 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5cccc(Cl)c5)nc5c4CCCC5)C[C@H]3C2)cn1 ZINC001164772843 721222022 /nfs/dbraw/zinc/22/20/22/721222022.db2.gz VMCCMKOYZJDQJE-NHCUHLMSSA-N 1 1 463.029 4.368 20 0 JIADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164761964 721225751 /nfs/dbraw/zinc/22/57/51/721225751.db2.gz BFLPUECPZNWFBC-VXKWHMMOSA-N 1 1 487.677 4.112 20 0 JIADMO CCc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001164767883 721241520 /nfs/dbraw/zinc/24/15/20/721241520.db2.gz WWMDTBYFNOJDIT-PMACEKPBSA-N 1 1 452.990 4.177 20 0 JIADMO COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c(Cl)nn2)c1 ZINC001164761392 721245558 /nfs/dbraw/zinc/24/55/58/721245558.db2.gz HYDRFOVKHDQYTK-MOPGFXCFSA-N 1 1 488.970 4.042 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@H]3C2)nc1 ZINC001164881708 721299209 /nfs/dbraw/zinc/29/92/09/721299209.db2.gz XUNYOASOXFVJIB-JRFVFWCSSA-N 1 1 468.667 4.448 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@H]43)c2c1C ZINC001164875187 721314269 /nfs/dbraw/zinc/31/42/69/721314269.db2.gz CMSHDKVZVFFSCP-NJDAHSKKSA-N 1 1 479.650 4.362 20 0 JIADMO COc1ccc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(Cl)n1 ZINC001164779093 721349920 /nfs/dbraw/zinc/34/99/20/721349920.db2.gz QSDVSKHZIVWWPQ-OAQYLSRUSA-N 1 1 470.948 4.012 20 0 JIADMO COc1ccc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c(Cl)n1 ZINC001164779093 721349924 /nfs/dbraw/zinc/34/99/24/721349924.db2.gz QSDVSKHZIVWWPQ-OAQYLSRUSA-N 1 1 470.948 4.012 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)nc4cc(Cl)ccc43)C2)C1 ZINC001164777321 721351182 /nfs/dbraw/zinc/35/11/82/721351182.db2.gz GAMZXGXYPAXIBS-XMMPIXPASA-N 1 1 455.990 4.315 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)Nc4ccccc4)ccn3)C2)C1 ZINC001164776853 721351833 /nfs/dbraw/zinc/35/18/33/721351833.db2.gz DKRJCLXZATYWRV-MHZLTWQESA-N 1 1 475.593 4.058 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C(=O)Nc4ccccc4)ccn3)C2)C1 ZINC001164776853 721351835 /nfs/dbraw/zinc/35/18/35/721351835.db2.gz DKRJCLXZATYWRV-MHZLTWQESA-N 1 1 475.593 4.058 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C(F)F)nc4ccccc43)C2)C1 ZINC001164782280 721368605 /nfs/dbraw/zinc/36/86/05/721368605.db2.gz MEKXRTMNAYGYBH-XMMPIXPASA-N 1 1 457.525 4.291 20 0 JIADMO COCCN1CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)Cc2cccnc21 ZINC001164889376 721369442 /nfs/dbraw/zinc/36/94/42/721369442.db2.gz YUJFWQLVMPYGAR-UHFFFAOYSA-N 1 1 492.693 4.424 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(-c4ccc(F)cc4)n3)C2)C1 ZINC001164788544 721374546 /nfs/dbraw/zinc/37/45/46/721374546.db2.gz ZQWGVDRUEZPTSW-VWLOTQADSA-N 1 1 451.546 4.007 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(-c4ccc(F)cc4)n3)C2)C1 ZINC001164788544 721374549 /nfs/dbraw/zinc/37/45/49/721374549.db2.gz ZQWGVDRUEZPTSW-VWLOTQADSA-N 1 1 451.546 4.007 20 0 JIADMO CCc1nc(Cl)nc(Cl)c1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164785345 721375176 /nfs/dbraw/zinc/37/51/76/721375176.db2.gz RHVSRBRGPXZNAA-NRFANRHFSA-N 1 1 454.402 4.070 20 0 JIADMO CCc1nc(Cl)nc(Cl)c1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164785345 721375179 /nfs/dbraw/zinc/37/51/79/721375179.db2.gz RHVSRBRGPXZNAA-NRFANRHFSA-N 1 1 454.402 4.070 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5scc(-c6ccccc6)c54)C3)O2)CC1 ZINC001164892935 721396616 /nfs/dbraw/zinc/39/66/16/721396616.db2.gz UUVSHYIWSMUOOS-HFZDXXHNSA-N 1 1 463.651 4.124 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5F)nc5ccc(F)cc54)C3)O2)CC1 ZINC001164890476 721397320 /nfs/dbraw/zinc/39/73/20/721397320.db2.gz NMUFQBNXVOHOOC-LYZGTLIUSA-N 1 1 493.602 4.340 20 0 JIADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164782824 721397832 /nfs/dbraw/zinc/39/78/32/721397832.db2.gz FVZAWQMVAYKEDK-BGYRXZFFSA-N 1 1 473.602 4.242 20 0 JIADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164782824 721397833 /nfs/dbraw/zinc/39/78/33/721397833.db2.gz FVZAWQMVAYKEDK-BGYRXZFFSA-N 1 1 473.602 4.242 20 0 JIADMO CC1CCN(Cc2nc3sc4c(c3c(N3C[C@H]5C[NH+](Cc6nccs6)C[C@@H]5C3)n2)CCC4)CC1 ZINC001164787402 721426514 /nfs/dbraw/zinc/42/65/14/721426514.db2.gz QTLGESODPWMILL-RTBURBONSA-N 1 1 494.734 4.437 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5scc(-c6ccc(F)cc6)c54)C3)O2)CC1 ZINC001164890282 721432439 /nfs/dbraw/zinc/43/24/39/721432439.db2.gz CYXNHSOSTLZKHC-QFQXNSOFSA-N 1 1 481.641 4.263 20 0 JIADMO COc1ccc(-c2csc3ncnc(N4CC[C@@]5(C4)CCC[C@H](CN4CC[NH+](C)CC4)O5)c23)cc1 ZINC001164893162 721433082 /nfs/dbraw/zinc/43/30/82/721433082.db2.gz JNFOKKIJIGVMKV-AJTFRIOCSA-N 1 1 493.677 4.132 20 0 JIADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164780870 721437566 /nfs/dbraw/zinc/43/75/66/721437566.db2.gz AVNNSLHSUZKZFA-IRXDYDNUSA-N 1 1 476.009 4.279 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5cccc(Cl)c5)nc5c4CCCC5)C3)O2)CC1 ZINC001164893796 721442987 /nfs/dbraw/zinc/44/29/87/721442987.db2.gz KMESDQMRYXDBMX-LXFBAYGMSA-N 1 1 496.099 4.441 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)nc4C(F)(F)F)C3)O2)CC1 ZINC001164888688 721445393 /nfs/dbraw/zinc/44/53/93/721445393.db2.gz AJROKAURMDLZBS-HNAYVOBHSA-N 1 1 482.925 4.064 20 0 JIADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164884916 721446967 /nfs/dbraw/zinc/44/69/67/721446967.db2.gz CKTPGVCWCLCXEJ-UUOWRZLLSA-N 1 1 464.988 4.240 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1csc3ncnc(Cl)c13)CC2 ZINC001164790307 721457223 /nfs/dbraw/zinc/45/72/23/721457223.db2.gz YAQTVSITQKKXBH-QGZVFWFLSA-N 1 1 451.036 4.079 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(F)cccc31)CC2 ZINC001164783626 721458472 /nfs/dbraw/zinc/45/84/72/721458472.db2.gz DWVAGGNIYDUYCM-SFHVURJKSA-N 1 1 462.997 4.156 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc3c4ccccc4oc31)CC2 ZINC001164787897 721463220 /nfs/dbraw/zinc/46/32/20/721463220.db2.gz STTKYBBWURETHA-NRFANRHFSA-N 1 1 464.610 4.418 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(F)F)nc3ccc(F)cc31)CC2 ZINC001164791713 721470867 /nfs/dbraw/zinc/47/08/67/721470867.db2.gz XWDZNRQSXVQSTL-IBGZPJMESA-N 1 1 478.559 4.440 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C)c(-c3ccccc3F)n1)CC2 ZINC001164788260 721471545 /nfs/dbraw/zinc/47/15/45/721471545.db2.gz IVQVHVGDZXEGIM-QFIPXVFZSA-N 1 1 468.617 4.325 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCC[C@]34CC(=O)N(Cc3cccnc3)C4)c2c1C ZINC001164891140 721475884 /nfs/dbraw/zinc/47/58/84/721475884.db2.gz BFMBIFJHAMEHBM-HHHXNRCGSA-N 1 1 490.677 4.461 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](CC(=O)N4CCC(F)CC4)[C@H]3C2)nc1 ZINC001164894367 721479215 /nfs/dbraw/zinc/47/92/15/721479215.db2.gz HMDVSZSGIMJYTA-WREZULKGSA-N 1 1 472.649 4.068 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@@H](CC(=O)N4CCC(F)CC4)[C@@H]3C2)nc1 ZINC001164894369 721479222 /nfs/dbraw/zinc/47/92/22/721479222.db2.gz HMDVSZSGIMJYTA-YQIMAOPZSA-N 1 1 472.649 4.068 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)n1 ZINC001164896741 721504631 /nfs/dbraw/zinc/50/46/31/721504631.db2.gz JQNVHCMLRVKVTC-FQEVSTJZSA-N 1 1 478.666 4.188 20 0 JIADMO Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)CC[N@H+]3C2)c1 ZINC001164900555 721523816 /nfs/dbraw/zinc/52/38/16/721523816.db2.gz SFZXVEPOKLDPHK-UNMCSNQZSA-N 1 1 479.987 4.127 20 0 JIADMO COc1ccc(Oc2cc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc(C)n2)cc1 ZINC001164904658 721563491 /nfs/dbraw/zinc/56/34/91/721563491.db2.gz FCOQSOIGHOUMKM-AUSIDOKSSA-N 1 1 450.514 4.067 20 0 JIADMO CSc1ccc(Oc2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)ncn2)cc1 ZINC001164799647 721571533 /nfs/dbraw/zinc/57/15/33/721571533.db2.gz DACXLZXXYASIBQ-OTNCWRBYSA-N 1 1 463.607 4.254 20 0 JIADMO CSc1ccc(Oc2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)ncn2)cc1 ZINC001164799647 721571536 /nfs/dbraw/zinc/57/15/36/721571536.db2.gz DACXLZXXYASIBQ-OTNCWRBYSA-N 1 1 463.607 4.254 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164800939 721575610 /nfs/dbraw/zinc/57/56/10/721575610.db2.gz FXOWEIBMOOJTMY-KNKQGSTJSA-N 1 1 486.954 4.000 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164800939 721575612 /nfs/dbraw/zinc/57/56/12/721575612.db2.gz FXOWEIBMOOJTMY-KNKQGSTJSA-N 1 1 486.954 4.000 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)ccc2-c2ccc(Cl)nn2)[C@H]2CCCO[C@H]12 ZINC001164804348 721583474 /nfs/dbraw/zinc/58/34/74/721583474.db2.gz JQJUXDHEJUJDBK-FJIJXJHWSA-N 1 1 453.949 4.199 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)[C@H]2CCCO[C@H]12 ZINC001164809483 721586344 /nfs/dbraw/zinc/58/63/44/721586344.db2.gz SKIWWRWKBZGLBL-GKRYNVPLSA-N 1 1 484.648 4.397 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)[C@H]2CCCO[C@H]12 ZINC001164809483 721586347 /nfs/dbraw/zinc/58/63/47/721586347.db2.gz SKIWWRWKBZGLBL-GKRYNVPLSA-N 1 1 484.648 4.397 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2F)[C@@H]2CCCO[C@@H]12 ZINC001164801028 721589393 /nfs/dbraw/zinc/58/93/93/721589393.db2.gz DKUKUZLTSFIHGP-SYYKKAFVSA-N 1 1 469.948 4.325 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2F)[C@@H]2CCCO[C@@H]12 ZINC001164801028 721589394 /nfs/dbraw/zinc/58/93/94/721589394.db2.gz DKUKUZLTSFIHGP-SYYKKAFVSA-N 1 1 469.948 4.325 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164811903 721589625 /nfs/dbraw/zinc/58/96/25/721589625.db2.gz ZADYUSOSUHVIEZ-NNWRFLSQSA-N 1 1 451.958 4.186 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164811903 721589626 /nfs/dbraw/zinc/58/96/26/721589626.db2.gz ZADYUSOSUHVIEZ-NNWRFLSQSA-N 1 1 451.958 4.186 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](CN(Cc4cccc(OC)c4)S3(=O)=O)CC2)nc1 ZINC001164808840 721592858 /nfs/dbraw/zinc/59/28/58/721592858.db2.gz QVIUNCFPUBWLOW-SKBVVQJISA-N 1 1 498.693 4.068 20 0 JIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCC3(CCOC[C@H]3COc3cccnc3)CC2)n1 ZINC001164803793 721603825 /nfs/dbraw/zinc/60/38/25/721603825.db2.gz WHKHLMYCFZHRGH-NRFANRHFSA-N 1 1 457.018 4.428 20 0 JIADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908320 721692302 /nfs/dbraw/zinc/69/23/02/721692302.db2.gz YHUXRHVDKQQGAG-OAQYLSRUSA-N 1 1 498.956 4.408 20 0 JIADMO COC(=O)c1ccc2c(ccnc2N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907443 721699119 /nfs/dbraw/zinc/69/91/19/721699119.db2.gz SSZPOXHPFHIYCR-DEOSSOPVSA-N 1 1 452.505 4.154 20 0 JIADMO COC(=O)c1ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ccc2c1 ZINC001164905385 721700714 /nfs/dbraw/zinc/70/07/14/721700714.db2.gz ITCSDWZNDFOXSO-XMMPIXPASA-N 1 1 452.505 4.154 20 0 JIADMO COc1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)n1 ZINC001164904811 721703254 /nfs/dbraw/zinc/70/32/54/721703254.db2.gz GQNOVVQFYFJTQV-IBGZPJMESA-N 1 1 458.887 4.421 20 0 JIADMO CCOC(Cc1c(Cl)ncnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1)OCC ZINC001164907280 721705342 /nfs/dbraw/zinc/70/53/42/721705342.db2.gz QKLPVANMWKZSDX-HSZRJFAPSA-N 1 1 496.002 4.204 20 0 JIADMO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904930 721712172 /nfs/dbraw/zinc/71/21/72/721712172.db2.gz FRLOZLMPWAAMKN-FQEVSTJZSA-N 1 1 480.897 4.356 20 0 JIADMO CC1CCN(C(=O)c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2)CC1 ZINC001164905477 721724061 /nfs/dbraw/zinc/72/40/61/721724061.db2.gz GPMFJCNRNLLJAD-VWLOTQADSA-N 1 1 469.580 4.086 20 0 JIADMO COc1cccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)c1 ZINC001164911214 721724537 /nfs/dbraw/zinc/72/45/37/721724537.db2.gz IQSPMNAVGHOWHS-DEOSSOPVSA-N 1 1 451.521 4.285 20 0 JIADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)CC1 ZINC001165010635 721734811 /nfs/dbraw/zinc/73/48/11/721734811.db2.gz HZZGJXRJXDOQTB-UHFFFAOYSA-N 1 1 472.367 4.005 20 0 JIADMO NC(=S)c1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c2sccc21 ZINC001164909761 721738769 /nfs/dbraw/zinc/73/87/69/721738769.db2.gz DJRPLRCMYCSISF-NRFANRHFSA-N 1 1 459.591 4.063 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@@H]3C2)nc1 ZINC001165012572 721754578 /nfs/dbraw/zinc/75/45/78/721754578.db2.gz FDFKBPYUBSVTCF-RAVGUYNFSA-N 1 1 491.680 4.004 20 0 JIADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164912203 721761020 /nfs/dbraw/zinc/76/10/20/721761020.db2.gz VFUFGZVPZXXNBC-UHFFFAOYSA-N 1 1 476.911 4.249 20 0 JIADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164912203 721761022 /nfs/dbraw/zinc/76/10/22/721761022.db2.gz VFUFGZVPZXXNBC-UHFFFAOYSA-N 1 1 476.911 4.249 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@H]32)n1 ZINC001165014149 721772176 /nfs/dbraw/zinc/77/21/76/721772176.db2.gz AMZDRGIXPNWHSW-RTBURBONSA-N 1 1 467.639 4.484 20 0 JIADMO Clc1ccc2c(c1)nc(Cl)cc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912748 721777265 /nfs/dbraw/zinc/77/72/65/721777265.db2.gz PJJNHXIMGIIROJ-HSZRJFAPSA-N 1 1 459.377 4.044 20 0 JIADMO Clc1ccc2c(c1)nc(Cl)cc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912748 721777267 /nfs/dbraw/zinc/77/72/67/721777267.db2.gz PJJNHXIMGIIROJ-HSZRJFAPSA-N 1 1 459.377 4.044 20 0 JIADMO Cc1nc2scc(-c3cccs3)c2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913770 721794446 /nfs/dbraw/zinc/79/44/46/721794446.db2.gz HDYIQIUGVWIJCA-VWLOTQADSA-N 1 1 493.658 4.231 20 0 JIADMO Cc1nc2scc(-c3cccs3)c2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913770 721794448 /nfs/dbraw/zinc/79/44/48/721794448.db2.gz HDYIQIUGVWIJCA-VWLOTQADSA-N 1 1 493.658 4.231 20 0 JIADMO Cc1ccc(-c2nc3ccccc3c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)s1 ZINC001164914968 721796229 /nfs/dbraw/zinc/79/62/29/721796229.db2.gz SGZOAZZBEWBNGR-HHHXNRCGSA-N 1 1 487.629 4.170 20 0 JIADMO Cc1ccc(-c2nc3ccccc3c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)s1 ZINC001164914968 721796235 /nfs/dbraw/zinc/79/62/35/721796235.db2.gz SGZOAZZBEWBNGR-HHHXNRCGSA-N 1 1 487.629 4.170 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC001164917756 721806943 /nfs/dbraw/zinc/80/69/43/721806943.db2.gz YBEGXFJEBWQXTA-CJFMBICVSA-N 1 1 467.639 4.362 20 0 JIADMO c1cncc(O[C@H]2CO[C@@]3(CCN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C3)C2)c1 ZINC001164916498 721806999 /nfs/dbraw/zinc/80/69/99/721806999.db2.gz PHBXXQPTTVFVSD-HRFSGMKKSA-N 1 1 491.661 4.378 20 0 JIADMO c1cncc(O[C@@H]2CO[C@]3(CCN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C3)C2)c1 ZINC001164916496 721807054 /nfs/dbraw/zinc/80/70/54/721807054.db2.gz PHBXXQPTTVFVSD-CCLHPLFOSA-N 1 1 491.661 4.378 20 0 JIADMO COc1cc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1OC ZINC001165026683 721808255 /nfs/dbraw/zinc/80/82/55/721808255.db2.gz RZCLBDYLXYBFTJ-SCWSEQNSSA-N 1 1 468.001 4.432 20 0 JIADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165019749 721815649 /nfs/dbraw/zinc/81/56/49/721815649.db2.gz BPLJCLNFQBMHRG-ZYSHUDEJSA-N 1 1 464.944 4.198 20 0 JIADMO COC(=O)c1cnc(Cl)c(C(F)(F)N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1 ZINC001165023181 721842970 /nfs/dbraw/zinc/84/29/70/721842970.db2.gz YJWSCWYXBPUXIU-UHFFFAOYSA-N 1 1 483.943 4.185 20 0 JIADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)n2)cc1 ZINC001164927416 721868194 /nfs/dbraw/zinc/86/81/94/721868194.db2.gz VEQUWFALXLWKLH-XZOQPEGZSA-N 1 1 452.002 4.173 20 0 JIADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)n2)cc1 ZINC001164927416 721868197 /nfs/dbraw/zinc/86/81/97/721868197.db2.gz VEQUWFALXLWKLH-XZOQPEGZSA-N 1 1 452.002 4.173 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(c3nc(-c4ccc(S(C)(=O)=O)cc4)no3)CC2)nc1 ZINC001165033027 721876930 /nfs/dbraw/zinc/87/69/30/721876930.db2.gz LHXYQESMDDIRNL-HSZRJFAPSA-N 1 1 495.649 4.466 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCCn3cnc(Cn4cccn4)c3C2)n1 ZINC001164939572 721915784 /nfs/dbraw/zinc/91/57/84/721915784.db2.gz UVOHAFSVQWDZSG-UHFFFAOYSA-N 1 1 484.633 4.272 20 0 JIADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938302 721920955 /nfs/dbraw/zinc/92/09/55/721920955.db2.gz KYMMEYLOUZFAFP-UHFFFAOYSA-N 1 1 494.970 4.031 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5c4ncn5[C@@H]4CCCCO4)CC3)C2)cc1 ZINC001164941049 721925794 /nfs/dbraw/zinc/92/57/94/721925794.db2.gz ZSRHYAYHCYKHOS-NRFANRHFSA-N 1 1 497.043 4.359 20 0 JIADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1C ZINC001164938906 721925996 /nfs/dbraw/zinc/92/59/96/721925996.db2.gz AOVCGCXHAZNIDD-UHFFFAOYSA-N 1 1 458.002 4.400 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cnc5c(Cl)ncnc5c4)CC3)C2)cc1 ZINC001164939485 721929653 /nfs/dbraw/zinc/92/96/53/721929653.db2.gz LRRBXAVRJJKYRA-UHFFFAOYSA-N 1 1 473.955 4.403 20 0 JIADMO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001165043753 721939827 /nfs/dbraw/zinc/93/98/27/721939827.db2.gz FOUROZUFHMXTQJ-UHFFFAOYSA-N 1 1 450.280 4.031 20 0 JIADMO CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@H]2c2cccnc2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165045934 721963120 /nfs/dbraw/zinc/96/31/20/721963120.db2.gz DQKYVUFLVJOGOB-XXBNENTESA-N 1 1 451.615 4.007 20 0 JIADMO CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@H]2c2cccnc2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165045934 721963123 /nfs/dbraw/zinc/96/31/23/721963123.db2.gz DQKYVUFLVJOGOB-XXBNENTESA-N 1 1 451.615 4.007 20 0 JIADMO Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952524 722017136 /nfs/dbraw/zinc/01/71/36/722017136.db2.gz MTUWPSQJLNIGME-LJQANCHMSA-N 1 1 468.005 4.066 20 0 JIADMO COc1ccc(-c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)c(OC)c1OC ZINC001164963432 722023597 /nfs/dbraw/zinc/02/35/97/722023597.db2.gz TWZYPQIDWBDMSL-UHFFFAOYSA-N 1 1 475.593 4.057 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)n1 ZINC001164957080 722029829 /nfs/dbraw/zinc/02/98/29/722029829.db2.gz LBVPPUFOKPAZEZ-IPJJNNNSSA-N 1 1 485.629 4.499 20 0 JIADMO O=C(c1ccco1)N1CC[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164960807 722048075 /nfs/dbraw/zinc/04/80/75/722048075.db2.gz WYCKJSQNRMQVFN-MJGOQNOKSA-N 1 1 477.634 4.110 20 0 JIADMO O=C(c1ccco1)N1CC[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164960805 722048258 /nfs/dbraw/zinc/04/82/58/722048258.db2.gz WYCKJSQNRMQVFN-HKUYNNGSSA-N 1 1 477.634 4.110 20 0 JIADMO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961912 722052822 /nfs/dbraw/zinc/05/28/22/722052822.db2.gz YHCFDUVPOPSJSE-UHFFFAOYSA-N 1 1 473.955 4.342 20 0 JIADMO c1ccc(-c2nsc3c2ncnc3N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1 ZINC001164962346 722059663 /nfs/dbraw/zinc/05/96/63/722059663.db2.gz RIBPXFJHSYETQP-UHFFFAOYSA-N 1 1 472.618 4.267 20 0 JIADMO c1ccc(SCc2nccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)cc1 ZINC001164965010 722062002 /nfs/dbraw/zinc/06/20/02/722062002.db2.gz HYLUWZBOSZQUCF-UHFFFAOYSA-N 1 1 461.635 4.283 20 0 JIADMO CC(=O)N1CCC[C@]2(C1)CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CC[C@@H](C)C4)CCO2 ZINC001164968652 722083795 /nfs/dbraw/zinc/08/37/95/722083795.db2.gz FWAIXVNURSZZSM-WINIVTDRSA-N 1 1 497.709 4.020 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@@H]3C2)n1 ZINC001164976802 722090594 /nfs/dbraw/zinc/09/05/94/722090594.db2.gz SKZKRCIJOMMRRK-UYAOXDASSA-N 1 1 499.706 4.150 20 0 JIADMO CSc1ccc(Oc2cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164981781 722134792 /nfs/dbraw/zinc/13/47/92/722134792.db2.gz QKNAOCYVMZTWHK-REWPJTCUSA-N 1 1 463.607 4.113 20 0 JIADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164978945 722140185 /nfs/dbraw/zinc/14/01/85/722140185.db2.gz LCPOJOXVVUHIDX-XMSQKQJNSA-N 1 1 469.948 4.184 20 0 JIADMO c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)CC[C@H]3C2)c1 ZINC001164982744 722141931 /nfs/dbraw/zinc/14/19/31/722141931.db2.gz SHCRMMKGVFSKLS-JTHBVZDNSA-N 1 1 498.656 4.364 20 0 JIADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982570 722143704 /nfs/dbraw/zinc/14/37/04/722143704.db2.gz RQWOZFUQLNAKHP-NZQKXSOJSA-N 1 1 485.966 4.464 20 0 JIADMO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971189 722155636 /nfs/dbraw/zinc/15/56/36/722155636.db2.gz BCIISJLWIWWSCG-XMSQKQJNSA-N 1 1 469.948 4.184 20 0 JIADMO CN1c2ccccc2[C@]2(CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C2)C1=O ZINC001164983190 722162472 /nfs/dbraw/zinc/16/24/72/722162472.db2.gz ZHORRUWKIHRFSZ-HHHXNRCGSA-N 1 1 473.646 4.290 20 0 JIADMO CC(=O)N1CC2(CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC2)c2cc(C)ccc21 ZINC001164992189 722189484 /nfs/dbraw/zinc/18/94/84/722189484.db2.gz XLISYYHKAAFFRY-UHFFFAOYSA-N 1 1 467.617 4.248 20 0 JIADMO CC(=O)N1CC2(CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC2)c2cc(C)ccc21 ZINC001164992189 722189486 /nfs/dbraw/zinc/18/94/86/722189486.db2.gz XLISYYHKAAFFRY-UHFFFAOYSA-N 1 1 467.617 4.248 20 0 JIADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994059 722204840 /nfs/dbraw/zinc/20/48/40/722204840.db2.gz FBCDTKIWFYXNFQ-AREMUKBSSA-N 1 1 468.573 4.237 20 0 JIADMO C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2ccc(-c4ccnc(Cl)c4)cc2)CC3)CC1 ZINC001164998145 722231143 /nfs/dbraw/zinc/23/11/43/722231143.db2.gz YOJXYJMHEQFKGA-UHFFFAOYSA-N 1 1 484.982 4.094 20 0 JIADMO Cc1nc(CO[C@@H]2COC3(C2)CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC3)cs1 ZINC001165005237 722272692 /nfs/dbraw/zinc/27/26/92/722272692.db2.gz GPFRWTOGZXJWOH-FQEVSTJZSA-N 1 1 463.047 4.440 20 0 JIADMO FC(F)(F)Oc1cc(Br)ccc1NC(=S)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001200709934 1069349897 /nfs/dbraw/zinc/34/98/97/1069349897.db2.gz TWZFQNXTVHRWFW-UHFFFAOYSA-N 1 1 464.351 4.462 20 0 JIADMO FC(F)(F)Oc1cc(Br)ccc1NC(=S)N[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001200715968 1069374681 /nfs/dbraw/zinc/37/46/81/1069374681.db2.gz XHHYCQVPTMYSBA-CQSZACIVSA-N 1 1 475.334 4.304 20 0 JIADMO 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COCC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCc2cccs2)C[C@H]1C ZINC001316129817 1065801848 /nfs/dbraw/zinc/80/18/48/1065801848.db2.gz RUQBKFATYIMKSR-QGZVFWFLSA-N 1 1 490.471 4.169 20 0 JIADMO COCC[N@H+]1CCN(c2nnc(CC3CCCC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@H]1C ZINC001316138749 1065804715 /nfs/dbraw/zinc/80/47/15/1065804715.db2.gz UPGXIGFWKYBMSD-YZGWKJHDSA-N 1 1 457.585 4.461 20 0 JIADMO 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 1065806101 /nfs/dbraw/zinc/80/61/01/1065806101.db2.gz BWLFHUMAXFZPLB-UWHLTILDSA-N 1 1 483.648 4.179 20 0 JIADMO COCC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2cscc2C)C[C@H]1C ZINC001316139946 1065806209 /nfs/dbraw/zinc/80/62/09/1065806209.db2.gz DOTXJKPPTITCAG-GOSISDBHSA-N 1 1 476.046 4.086 20 0 JIADMO COCC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](OC)C(C)(C)C)C[C@H]1C ZINC001316140179 1065806807 /nfs/dbraw/zinc/80/68/07/1065806807.db2.gz IXTQQRFTFFGLMC-IRLDBZIGSA-N 1 1 475.703 4.097 20 0 JIADMO COCC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)c2ccccn2)CC1 ZINC001316140366 1065807249 /nfs/dbraw/zinc/80/72/49/1065807249.db2.gz LGOGMMJYPIDCSG-UHFFFAOYSA-N 1 1 480.682 4.020 20 0 JIADMO COCCO[C@H](C)c1nnc(N(C)Cc2ccc(Br)o2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001316157040 1065821073 /nfs/dbraw/zinc/82/10/73/1065821073.db2.gz PUFMAPTYUNOJJO-SJLPKXTDSA-N 1 1 498.466 4.114 20 0 JIADMO COCCO[C@H](C)c1nnc(N2Cc3ccc(Br)cc3C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001316166737 1065836824 /nfs/dbraw/zinc/83/68/24/1065836824.db2.gz KAPLVSQHIDEDAH-ZWKOTPCHSA-N 1 1 492.462 4.017 20 0 JIADMO COCCO[C@H](C)c1nnc(N2CCc3cc(Cl)ccc3C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001316185539 1065871488 /nfs/dbraw/zinc/87/14/88/1065871488.db2.gz VMWDPDLGCWONJE-XMSQKQJNSA-N 1 1 476.065 4.339 20 0 JIADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCc1cc(C)cc(C)c1 ZINC001316195705 1065890020 /nfs/dbraw/zinc/89/00/20/1065890020.db2.gz AAHYJTIVFRVQDR-QHCPKHFHSA-N 1 1 469.674 4.316 20 0 JIADMO 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CSCCCN(C)c1nnc(-c2ccccc2Br)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001316467492 1066371902 /nfs/dbraw/zinc/37/19/02/1066371902.db2.gz ATPLQLHLNRCUSW-HNNXBMFYSA-N 1 1 452.466 4.380 20 0 JIADMO CSCCCn1c(-c2ccccc2Br)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001316472594 1066380517 /nfs/dbraw/zinc/38/05/17/1066380517.db2.gz CTXPZRUTUXLVAP-HOTGVXAUSA-N 1 1 450.450 4.134 20 0 JIADMO COc1ccc(Br)cc1[C@H]([NH3+])C(=O)Nc1c[nH]c2ccc(Br)cc12 ZINC001336645154 1066442207 /nfs/dbraw/zinc/44/22/07/1066442207.db2.gz HDXCOIREWBDQSL-INIZCTEOSA-N 1 1 453.134 4.340 20 0 JIADMO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001316497062 1066448620 /nfs/dbraw/zinc/44/86/20/1066448620.db2.gz PYHYQEXHMIHIJX-FUHIMQAGSA-N 1 1 476.463 4.442 20 0 JIADMO COc1cc(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC001337084117 1066457510 /nfs/dbraw/zinc/45/75/10/1066457510.db2.gz AHDAGNFRPNMCPS-QFIPXVFZSA-N 1 1 465.619 4.054 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CC(C)(C)O)C[C@H](C)O1 ZINC001316504124 1066473474 /nfs/dbraw/zinc/47/34/74/1066473474.db2.gz UKVDPVUQWNQSOT-HDICACEKSA-N 1 1 487.645 4.129 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(-c4ccc(F)cc4)s3)n2CC(C)(C)O)C[C@H](C)O1 ZINC001316504124 1066473482 /nfs/dbraw/zinc/47/34/82/1066473482.db2.gz UKVDPVUQWNQSOT-HDICACEKSA-N 1 1 487.645 4.129 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2CC[C@@H]2CCCCO2)C[C@H](C)O1 ZINC001316504413 1066474438 /nfs/dbraw/zinc/47/44/38/1066474438.db2.gz XRVVYXCSYBNQSF-NSHGMRRFSA-N 1 1 480.028 4.242 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3F)n2CC[C@@H]2CCCCO2)C[C@H](C)O1 ZINC001316504413 1066474445 /nfs/dbraw/zinc/47/44/45/1066474445.db2.gz XRVVYXCSYBNQSF-NSHGMRRFSA-N 1 1 480.028 4.242 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCC2(O)CCC2)C[C@H](C)O1 ZINC001316504491 1066475485 /nfs/dbraw/zinc/47/54/85/1066475485.db2.gz ZPOQLDKRNOPNMY-CALCHBBNSA-N 1 1 482.456 4.102 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CCC2(O)CCC2)C[C@H](C)O1 ZINC001316504491 1066475492 /nfs/dbraw/zinc/47/54/92/1066475492.db2.gz ZPOQLDKRNOPNMY-CALCHBBNSA-N 1 1 482.456 4.102 20 0 JIADMO FC(F)(F)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001316513325 1066502288 /nfs/dbraw/zinc/50/22/88/1066502288.db2.gz OQOQQGZHNHHHCR-AWEZNQCLSA-N 1 1 464.319 4.401 20 0 JIADMO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1OC ZINC001337754255 1066507862 /nfs/dbraw/zinc/50/78/62/1066507862.db2.gz LMYRHLLSVKITRG-UHFFFAOYSA-N 1 1 470.573 4.418 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)ccc3F)c2)C1 ZINC001338004657 1066524192 /nfs/dbraw/zinc/52/41/92/1066524192.db2.gz VJTPIOMWGHWNCD-INIZCTEOSA-N 1 1 467.994 4.050 20 0 JIADMO FC(F)OCCCn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001316520693 1066525827 /nfs/dbraw/zinc/52/58/27/1066525827.db2.gz LVYHHHVCGLLRDD-ZDUSSCGKSA-N 1 1 476.391 4.073 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCc2ccccc2NS(C)(=O)=O)n1 ZINC001338088195 1066529787 /nfs/dbraw/zinc/52/97/87/1066529787.db2.gz IAKFGVZXQGTCCI-UHFFFAOYSA-N 1 1 467.620 4.404 20 0 JIADMO O=C(c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001338090545 1066529823 /nfs/dbraw/zinc/52/98/23/1066529823.db2.gz XPEYGBOBLBRDLK-OAHLLOKOSA-N 1 1 452.908 4.344 20 0 JIADMO Cc1cc(CN2CCCN(C(=O)NC[C@@H](c3ccccc3)[N@@H+]3CCc4sccc4C3)CC2)no1 ZINC001338131821 1066533138 /nfs/dbraw/zinc/53/31/38/1066533138.db2.gz VNWFDFAEUIJTJS-DEOSSOPVSA-N 1 1 479.650 4.061 20 0 JIADMO Cc1cc(CN2CCCN(C(=O)NC[C@@H](c3ccccc3)[N@H+]3CCc4sccc4C3)CC2)no1 ZINC001338131821 1066533161 /nfs/dbraw/zinc/53/31/61/1066533161.db2.gz VNWFDFAEUIJTJS-DEOSSOPVSA-N 1 1 479.650 4.061 20 0 JIADMO CCn1c2ccccc2c2cc(C[N@H+](C)Cn3c4ccc(S(=O)(=O)N(C)C)cc4oc3=O)ccc21 ZINC001338218732 1066538852 /nfs/dbraw/zinc/53/88/52/1066538852.db2.gz BIEDUGQHHRHMKU-UHFFFAOYSA-N 1 1 492.601 4.062 20 0 JIADMO CCn1c2ccccc2c2cc(C[N@@H+](C)Cn3c4ccc(S(=O)(=O)N(C)C)cc4oc3=O)ccc21 ZINC001338218732 1066538872 /nfs/dbraw/zinc/53/88/72/1066538872.db2.gz BIEDUGQHHRHMKU-UHFFFAOYSA-N 1 1 492.601 4.062 20 0 JIADMO COc1ccc([C@@H](CNS(=O)(=O)Cc2ccc(Br)cc2F)[NH+]2CCCCC2)cc1 ZINC001338348151 1066549659 /nfs/dbraw/zinc/54/96/59/1066549659.db2.gz TXHNYAKXFYCKLA-OAQYLSRUSA-N 1 1 485.419 4.243 20 0 JIADMO CCC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C(=O)N1CCc2sccc2C1 ZINC001338377555 1066550987 /nfs/dbraw/zinc/55/09/87/1066550987.db2.gz FEOJCEXIBXSECK-QHCPKHFHSA-N 1 1 468.667 4.027 20 0 JIADMO C[C@H](Sc1ncccc1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)C(=O)N1CCCC1 ZINC001338428346 1066553576 /nfs/dbraw/zinc/55/35/76/1066553576.db2.gz CURZPQVPVSXLHF-SFHVURJKSA-N 1 1 492.649 4.299 20 0 JIADMO Cc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)cc1 ZINC001338431801 1066555608 /nfs/dbraw/zinc/55/56/08/1066555608.db2.gz XXLZUYSDVRQBSR-UHFFFAOYSA-N 1 1 475.622 4.433 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)NC3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)c2)CC1 ZINC001338461362 1066557449 /nfs/dbraw/zinc/55/74/49/1066557449.db2.gz SSDKBQORTCRMSG-QZTJIDSGSA-N 1 1 480.497 4.143 20 0 JIADMO Cc1cccc(CN2CCN(c3nnc(CC(C)C)n3C[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001492534646 1066581701 /nfs/dbraw/zinc/58/17/01/1066581701.db2.gz JGIKHEYSEYGMMR-DNQXCXABSA-N 1 1 452.691 4.228 20 0 JIADMO Cc1cccc(CN2CCN(c3nnc(CC(C)C)n3C[C@@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001492534646 1066581710 /nfs/dbraw/zinc/58/17/10/1066581710.db2.gz JGIKHEYSEYGMMR-DNQXCXABSA-N 1 1 452.691 4.228 20 0 JIADMO COc1cc(CNC(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc(Cl)c1OC ZINC001342549300 1066598063 /nfs/dbraw/zinc/59/80/63/1066598063.db2.gz SICKEGVIUPRIGR-UHFFFAOYSA-N 1 1 484.984 4.476 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H]2CC[C@H](C)C2)c1 ZINC001492538247 1066604522 /nfs/dbraw/zinc/60/45/22/1066604522.db2.gz XPAFDAANDDLQDC-GOTSBHOMSA-N 1 1 469.674 4.396 20 0 JIADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(F)F)C1 ZINC001316585909 1066608559 /nfs/dbraw/zinc/60/85/59/1066608559.db2.gz YIPBJYUFMQRKET-WMZOPIPTSA-N 1 1 485.982 4.456 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN([C@@H](C)C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2)cc1 ZINC001345036514 1066638260 /nfs/dbraw/zinc/63/82/60/1066638260.db2.gz HCSLIZNROCEDET-QFIPXVFZSA-N 1 1 474.605 4.053 20 0 JIADMO COc1ccc([C@H](CNC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)[NH+]2CCCCC2)cc1 ZINC001345942645 1066648299 /nfs/dbraw/zinc/64/82/99/1066648299.db2.gz FHKSWQZJYMMVAY-KNQAVFIVSA-N 1 1 450.579 4.416 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC001317798681 1066695589 /nfs/dbraw/zinc/69/55/89/1066695589.db2.gz OMDOLUCFBWVVEB-QGZVFWFLSA-N 1 1 450.004 4.135 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(CC(=O)N(CC(F)(F)F)c3ccc(Cl)cc3)C2)ccn1 ZINC001347896232 1066706227 /nfs/dbraw/zinc/70/62/27/1066706227.db2.gz UVFBGAFBTWCBFD-NRFANRHFSA-N 1 1 484.950 4.235 20 0 JIADMO COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c1 ZINC001317833825 1066718677 /nfs/dbraw/zinc/71/86/77/1066718677.db2.gz ODATYINDZIUZPH-UHFFFAOYSA-N 1 1 450.583 4.122 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)CSc3ccc(Br)cc3)cc2)C[C@H](C)O1 ZINC001317835379 1066720962 /nfs/dbraw/zinc/72/09/62/1066720962.db2.gz LZXSFXDIKCRXAM-CALCHBBNSA-N 1 1 463.441 4.467 20 0 JIADMO Cc1cc(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)c2cnn(Cc3cccs3)c2n1 ZINC001348368732 1066739480 /nfs/dbraw/zinc/73/94/80/1066739480.db2.gz ASZOSOUNHKWJNR-OAQYLSRUSA-N 1 1 472.618 4.386 20 0 JIADMO Cc1ccnc(-c2cccc(NC(=O)Nc3ccc4c(ccn4CC[NH+]4CCOCC4)c3)c2)n1 ZINC001348371100 1066739802 /nfs/dbraw/zinc/73/98/02/1066739802.db2.gz MEVMMMYRUALSOK-UHFFFAOYSA-N 1 1 456.550 4.383 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(C(=O)NCC(F)(F)F)ccc3C)CC2)cc1 ZINC001317867471 1066743038 /nfs/dbraw/zinc/74/30/38/1066743038.db2.gz QYABBWHMOSJJAU-UHFFFAOYSA-N 1 1 462.516 4.335 20 0 JIADMO C[C@@H](OC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001348475489 1066747602 /nfs/dbraw/zinc/74/76/02/1066747602.db2.gz FVORWMIOOQDKOS-UTKZUKDTSA-N 1 1 484.021 4.323 20 0 JIADMO COCC(=O)Nc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001348583805 1066759374 /nfs/dbraw/zinc/75/93/74/1066759374.db2.gz XJRDCPSLCRCEEK-IZZNHLLZSA-N 1 1 457.574 4.434 20 0 JIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CCc2nc(-c3ccccc3)no2)c1 ZINC001317893387 1066763189 /nfs/dbraw/zinc/76/31/89/1066763189.db2.gz KSFCJBOZIYNVJR-KRWDZBQOSA-N 1 1 465.529 4.260 20 0 JIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CCc2nc(-c3ccccc3)no2)c1 ZINC001317893387 1066763202 /nfs/dbraw/zinc/76/32/02/1066763202.db2.gz KSFCJBOZIYNVJR-KRWDZBQOSA-N 1 1 465.529 4.260 20 0 JIADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)CC2c3ccccc3Oc3ccccc32)c1 ZINC001317905272 1066775706 /nfs/dbraw/zinc/77/57/06/1066775706.db2.gz JYLADIZWDSMDAO-UHFFFAOYSA-N 1 1 485.584 4.292 20 0 JIADMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)N1CCC(c2nc3ccccc3o2)CC1 ZINC001317923924 1066789521 /nfs/dbraw/zinc/78/95/21/1066789521.db2.gz SOLFTHFIDWSHIR-UHFFFAOYSA-N 1 1 475.637 4.315 20 0 JIADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1 ZINC001349148879 1066814619 /nfs/dbraw/zinc/81/46/19/1066814619.db2.gz WTCAXDFJMKKWFU-LOSJGSFVSA-N 1 1 469.651 4.250 20 0 JIADMO COc1ccc(Cc2nc3ccccc3n2C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1OC ZINC001317967387 1066819607 /nfs/dbraw/zinc/81/96/07/1066819607.db2.gz QZGOGWVZOPMTMQ-HSZRJFAPSA-N 1 1 457.574 4.064 20 0 JIADMO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001317999298 1066841774 /nfs/dbraw/zinc/84/17/74/1066841774.db2.gz SVNCSWNFITVKLR-UHFFFAOYSA-N 1 1 453.612 4.155 20 0 JIADMO C[NH+](C)[C@@H](CNC(=O)CCCCCc1ccc(I)cc1)c1ccco1 ZINC001349793180 1066883616 /nfs/dbraw/zinc/88/36/16/1066883616.db2.gz JPIIUTKRVXSPBY-SFHVURJKSA-N 1 1 454.352 4.406 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1 ZINC001318083669 1066891522 /nfs/dbraw/zinc/89/15/22/1066891522.db2.gz GSRRYEYYLBPQMA-GOSISDBHSA-N 1 1 458.400 4.092 20 0 JIADMO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C2=O ZINC001349930489 1066897882 /nfs/dbraw/zinc/89/78/82/1066897882.db2.gz IMNYDMRUDGQABP-XTIHSXFESA-N 1 1 454.615 4.136 20 0 JIADMO O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC001318103084 1066901022 /nfs/dbraw/zinc/90/10/22/1066901022.db2.gz QKOVRMORAMUUFL-LSYYVWMOSA-N 1 1 480.612 4.359 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C1 ZINC001318133929 1066916417 /nfs/dbraw/zinc/91/64/17/1066916417.db2.gz YKZHOEVCGIINNO-QGZVFWFLSA-N 1 1 458.400 4.472 20 0 JIADMO CC[C@H](NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C)c1ccccc1OC(F)F ZINC001350131899 1066921614 /nfs/dbraw/zinc/92/16/14/1066921614.db2.gz JOVFUIDZAZDRFN-IBGZPJMESA-N 1 1 455.509 4.046 20 0 JIADMO O=C(Cc1coc(-c2ccccc2)n1)OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001318143770 1066923221 /nfs/dbraw/zinc/92/32/21/1066923221.db2.gz LRTZEVZVONUOOB-UHFFFAOYSA-N 1 1 495.579 4.361 20 0 JIADMO COc1cc(NC(=O)C[N@H+](C)Cc2ccccc2)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC ZINC001318182559 1066944104 /nfs/dbraw/zinc/94/41/04/1066944104.db2.gz OKXSUGXCMAVECM-RTBURBONSA-N 1 1 453.583 4.177 20 0 JIADMO COc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC ZINC001318182559 1066944107 /nfs/dbraw/zinc/94/41/07/1066944107.db2.gz OKXSUGXCMAVECM-RTBURBONSA-N 1 1 453.583 4.177 20 0 JIADMO C[C@H](C(=O)Nc1cccc(I)c1)[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001318188226 1066948131 /nfs/dbraw/zinc/94/81/31/1066948131.db2.gz RNLUQRFMVOKPBM-VLIAUNLRSA-N 1 1 489.357 4.066 20 0 JIADMO Cc1nnc(SCC(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)n1Cc1ccccc1 ZINC001318210722 1066961017 /nfs/dbraw/zinc/96/10/17/1066961017.db2.gz UMFNUBMLURFDJN-UHFFFAOYSA-N 1 1 475.622 4.228 20 0 JIADMO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2CCCCN2Cc2cccc(C)c2)c1 ZINC001350502945 1066965826 /nfs/dbraw/zinc/96/58/26/1066965826.db2.gz ZWJMNYZEWNLWJE-RUZDIDTESA-N 1 1 450.627 4.060 20 0 JIADMO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2CCCCN2Cc2cccc(C)c2)c1 ZINC001350502947 1066966049 /nfs/dbraw/zinc/96/60/49/1066966049.db2.gz ZWJMNYZEWNLWJE-VWLOTQADSA-N 1 1 450.627 4.060 20 0 JIADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)NCCc1coc(-c2ccccc2)n1 ZINC001318232941 1066975235 /nfs/dbraw/zinc/97/52/35/1066975235.db2.gz OROKDHGGADNOSF-UHFFFAOYSA-N 1 1 468.001 4.049 20 0 JIADMO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318238116 1066978298 /nfs/dbraw/zinc/97/82/98/1066978298.db2.gz PREYIWUQLKNEIE-ZDUSSCGKSA-N 1 1 490.427 4.130 20 0 JIADMO C[C@@H](c1ccc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC001350771157 1066999801 /nfs/dbraw/zinc/99/98/01/1066999801.db2.gz IJASSZGBHJQLMT-HTAPYJJXSA-N 1 1 459.512 4.088 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001318280140 1067000071 /nfs/dbraw/zinc/00/00/71/1067000071.db2.gz CZKWCSYTQLJWAG-OAQYLSRUSA-N 1 1 489.616 4.088 20 0 JIADMO Cc1nc(CSCC(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)cs1 ZINC001318285589 1067002281 /nfs/dbraw/zinc/00/22/81/1067002281.db2.gz RLSNVWLEXLBCKA-CQSZACIVSA-N 1 1 450.605 4.275 20 0 JIADMO Cc1nc(CSCC(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)cs1 ZINC001318285589 1067002292 /nfs/dbraw/zinc/00/22/92/1067002292.db2.gz RLSNVWLEXLBCKA-CQSZACIVSA-N 1 1 450.605 4.275 20 0 JIADMO COC(=O)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n(-c2ccccc2)n1 ZINC001318307976 1067010368 /nfs/dbraw/zinc/01/03/68/1067010368.db2.gz SRGCOIHHXKPLNG-UHFFFAOYSA-N 1 1 486.494 4.026 20 0 JIADMO COC(=O)c1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n(-c2ccccc2)n1 ZINC001318307976 1067010375 /nfs/dbraw/zinc/01/03/75/1067010375.db2.gz SRGCOIHHXKPLNG-UHFFFAOYSA-N 1 1 486.494 4.026 20 0 JIADMO C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)c1ccccc1Cl ZINC001318309635 1067011030 /nfs/dbraw/zinc/01/10/30/1067011030.db2.gz YRCIUKHUSCTVFE-NRFANRHFSA-N 1 1 461.006 4.467 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Nc3ccc(SC(F)(F)F)cc3)c2)C1 ZINC001318322082 1067016398 /nfs/dbraw/zinc/01/63/98/1067016398.db2.gz DJWCIOAWJJFSNP-QGZVFWFLSA-N 1 1 466.529 4.318 20 0 JIADMO C[C@H](NC(=O)C[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1)c1ccc(Br)cc1 ZINC001318339480 1067023584 /nfs/dbraw/zinc/02/35/84/1067023584.db2.gz XIIAQTFJAPGFQN-OYHNWAKOSA-N 1 1 456.384 4.074 20 0 JIADMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001318354342 1067029382 /nfs/dbraw/zinc/02/93/82/1067029382.db2.gz LIQWKNRXVNXWDG-OAQYLSRUSA-N 1 1 472.593 4.261 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(N(CC(N)=O)Cc4ccccc4)c3)CC2)cc1 ZINC001318509904 1067050182 /nfs/dbraw/zinc/05/01/82/1067050182.db2.gz SKOZDYDANDIDLC-UHFFFAOYSA-N 1 1 485.632 4.227 20 0 JIADMO O=C(NCc1csc(-c2ccco2)n1)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC001351174133 1067055505 /nfs/dbraw/zinc/05/55/05/1067055505.db2.gz CEMTXOVQKLQLRG-UHFFFAOYSA-N 1 1 451.552 4.012 20 0 JIADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CC3c4ccccc4Oc4ccccc43)cc2)CC1 ZINC001318788971 1067060950 /nfs/dbraw/zinc/06/09/50/1067060950.db2.gz OLRVHIBQOPBYCH-UHFFFAOYSA-N 1 1 455.558 4.018 20 0 JIADMO COc1ccc(-c2csc(NC(=O)[C@@H](c3ccccc3)N3CC[NH+](C)CC3)n2)cc1Cl ZINC001351257003 1067066256 /nfs/dbraw/zinc/06/62/56/1067066256.db2.gz QWKZOUJQULRYHO-OAQYLSRUSA-N 1 1 456.999 4.399 20 0 JIADMO CCn1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1Br ZINC001351270700 1067068996 /nfs/dbraw/zinc/06/89/96/1067068996.db2.gz CWKXVNCVAHWLRY-UHFFFAOYSA-N 1 1 459.310 4.032 20 0 JIADMO CCn1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1Br ZINC001351270700 1067069011 /nfs/dbraw/zinc/06/90/11/1067069011.db2.gz CWKXVNCVAHWLRY-UHFFFAOYSA-N 1 1 459.310 4.032 20 0 JIADMO CC(C)[C@@H](CNC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)N1CC[NH+](C)CC1 ZINC001200780513 1067092605 /nfs/dbraw/zinc/09/26/05/1067092605.db2.gz DVDVHSAWSJWEHF-MRXNPFEDSA-N 1 1 452.974 4.388 20 0 JIADMO CC(C)(C)n1cc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)nn1 ZINC001351449440 1067096568 /nfs/dbraw/zinc/09/65/68/1067096568.db2.gz PURUJFHSFOOXFO-UHFFFAOYSA-N 1 1 452.990 4.261 20 0 JIADMO O=C(NCCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC001321214411 1067102196 /nfs/dbraw/zinc/10/21/96/1067102196.db2.gz AHJNOGKLTYUJQB-OAQYLSRUSA-N 1 1 487.444 4.006 20 0 JIADMO COC1CCC(Cn2c(-c3cccc(Cl)c3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001300721532 1067114372 /nfs/dbraw/zinc/11/43/72/1067114372.db2.gz XNUQRIYMKYXLFL-UHFFFAOYSA-N 1 1 476.065 4.351 20 0 JIADMO COC1CCC(Cn2c(-c3cccc(Cl)c3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001300721532 1067114390 /nfs/dbraw/zinc/11/43/90/1067114390.db2.gz XNUQRIYMKYXLFL-UHFFFAOYSA-N 1 1 476.065 4.351 20 0 JIADMO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001351527767 1067118905 /nfs/dbraw/zinc/11/89/05/1067118905.db2.gz DUKQMWQPRRWVNB-MAUKXSAKSA-N 1 1 455.352 4.429 20 0 JIADMO COC(=O)c1cc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)ccc1OC ZINC001354806560 1067126729 /nfs/dbraw/zinc/12/67/29/1067126729.db2.gz HTRDOEONXLLUJC-IZZNHLLZSA-N 1 1 472.585 4.322 20 0 JIADMO 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 1067141404 /nfs/dbraw/zinc/14/14/04/1067141404.db2.gz DJBGIYOJUALVSO-CTNGQTDRSA-N 1 1 454.652 4.482 20 0 JIADMO COc1cccc(Br)c1[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=S)NC(C)C ZINC001200795914 1067151845 /nfs/dbraw/zinc/15/18/45/1067151845.db2.gz XJCGHDVDVJJVJH-MJGOQNOKSA-N 1 1 462.457 4.298 20 0 JIADMO COC1CCC(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001300730415 1067155766 /nfs/dbraw/zinc/15/57/66/1067155766.db2.gz GLGUTGLQNKAQEB-UHFFFAOYSA-N 1 1 499.700 4.226 20 0 JIADMO COC1CCC(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001300730415 1067155785 /nfs/dbraw/zinc/15/57/85/1067155785.db2.gz GLGUTGLQNKAQEB-UHFFFAOYSA-N 1 1 499.700 4.226 20 0 JIADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)C[C@H](C)O1 ZINC001351667719 1067161279 /nfs/dbraw/zinc/16/12/79/1067161279.db2.gz NSPQHCXNVNRKHQ-IRXDYDNUSA-N 1 1 452.530 4.160 20 0 JIADMO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]Cc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC001321655003 1067192309 /nfs/dbraw/zinc/19/23/09/1067192309.db2.gz YCZLXHWYORKWLZ-JOCHJYFZSA-N 1 1 491.901 4.197 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001492549291 1067212140 /nfs/dbraw/zinc/21/21/40/1067212140.db2.gz WQBMCPAWTBFEBP-FGZHOGPDSA-N 1 1 455.647 4.290 20 0 JIADMO COC(=O)c1ccc(C[NH2+][C@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)cc1C ZINC001200803409 1067213597 /nfs/dbraw/zinc/21/35/97/1067213597.db2.gz SCNWEMPTFIVUSP-XMMPIXPASA-N 1 1 453.560 4.073 20 0 JIADMO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001321878007 1067221138 /nfs/dbraw/zinc/22/11/38/1067221138.db2.gz AECLJIUHYBQZRQ-UHFFFAOYSA-N 1 1 453.590 4.097 20 0 JIADMO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001351895773 1067235240 /nfs/dbraw/zinc/23/52/40/1067235240.db2.gz VHGRMBLCORXROY-DEOSSOPVSA-N 1 1 450.558 4.073 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCSC[C@H]3C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001492549817 1067250212 /nfs/dbraw/zinc/25/02/12/1067250212.db2.gz OSVLGPRZQIDCCI-BHIFYINESA-N 1 1 457.688 4.475 20 0 JIADMO O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001351973605 1067259800 /nfs/dbraw/zinc/25/98/00/1067259800.db2.gz WYQJGAJFGCOXSY-WCQSIDKYSA-N 1 1 451.998 4.079 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001300749895 1067267658 /nfs/dbraw/zinc/26/76/58/1067267658.db2.gz SPGUPGQOFFBFGQ-YADHBBJMSA-N 1 1 482.654 4.127 20 0 JIADMO COc1cc(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc(OC)c1OC ZINC001354901088 1067268061 /nfs/dbraw/zinc/26/80/61/1067268061.db2.gz LERUJOAHMASIMK-MHZLTWQESA-N 1 1 452.595 4.160 20 0 JIADMO CO[C@@H]1CCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001300752974 1067277490 /nfs/dbraw/zinc/27/74/90/1067277490.db2.gz VLXPQUAAGZOUEZ-JTHBVZDNSA-N 1 1 490.092 4.132 20 0 JIADMO Cc1cccc2[nH]cc(CCn3c(CC(C)C)nnc3N3CC[NH+](CCOC(C)C)CC3)c21 ZINC001492551140 1067291070 /nfs/dbraw/zinc/29/10/70/1067291070.db2.gz DAKRNRCGSOLUHW-UHFFFAOYSA-N 1 1 452.647 4.056 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001300758448 1067291996 /nfs/dbraw/zinc/29/19/96/1067291996.db2.gz SOQFURKXWKTNNA-PKOBYXMFSA-N 1 1 479.467 4.306 20 0 JIADMO COc1cccc(N2CCC(NC(=O)c3ccccc3OCC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC001322590507 1067304491 /nfs/dbraw/zinc/30/44/91/1067304491.db2.gz JNYZAMSVWXYAHA-NRFANRHFSA-N 1 1 451.611 4.347 20 0 JIADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C2CCCCCC2)C[C@@H](C)O1 ZINC001352172958 1067305529 /nfs/dbraw/zinc/30/55/29/1067305529.db2.gz DPVPRGYUBGQLSA-SBHAEUEKSA-N 1 1 453.668 4.102 20 0 JIADMO CN(C)c1ncc(Br)cc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001352224978 1067312770 /nfs/dbraw/zinc/31/27/70/1067312770.db2.gz NWXTYPABKOXDAN-UHFFFAOYSA-N 1 1 453.384 4.021 20 0 JIADMO Cc1ccccc1Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001492579514 1067315315 /nfs/dbraw/zinc/31/53/15/1067315315.db2.gz LNHHSCRSQKKXQE-FPOVZHCZSA-N 1 1 479.591 4.455 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001492552620 1067318603 /nfs/dbraw/zinc/31/86/03/1067318603.db2.gz BSKYOHWTGKXVNE-IBGGVINMSA-N 1 1 499.700 4.181 20 0 JIADMO CO[C@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001300772007 1067321399 /nfs/dbraw/zinc/32/13/99/1067321399.db2.gz HNZUVECXDDOODZ-DQEYMECFSA-N 1 1 499.700 4.127 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CC2CCN(CC[NH+](C)C)CC2)n1 ZINC001492495028 1067322406 /nfs/dbraw/zinc/32/24/06/1067322406.db2.gz NROCNNGYTITCOX-FQEVSTJZSA-N 1 1 497.638 4.398 20 0 JIADMO COc1ccc([C@H](CNC(=O)C(=O)c2ccc(Br)s2)[NH+]2CCCCC2)cc1 ZINC001352316694 1067330669 /nfs/dbraw/zinc/33/06/69/1067330669.db2.gz HNQDOCCMFAZNNG-INIZCTEOSA-N 1 1 451.386 4.045 20 0 JIADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)COc3ccc(Cl)cc3Br)c2)CCO1 ZINC001324231273 1067335675 /nfs/dbraw/zinc/33/56/75/1067335675.db2.gz RPXLOLAQIFRHKR-HNNXBMFYSA-N 1 1 467.791 4.018 20 0 JIADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)COc3ccc(Cl)cc3Br)c2)CCO1 ZINC001324231273 1067335689 /nfs/dbraw/zinc/33/56/89/1067335689.db2.gz RPXLOLAQIFRHKR-HNNXBMFYSA-N 1 1 467.791 4.018 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3ccc(Br)o3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001300003252 1067346947 /nfs/dbraw/zinc/34/69/47/1067346947.db2.gz RPEOZEROFVEYCR-INIZCTEOSA-N 1 1 474.403 4.430 20 0 JIADMO C[C@@H]1C[C@H](NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC[N@H+]1Cc1ccccc1 ZINC001355036000 1067352412 /nfs/dbraw/zinc/35/24/12/1067352412.db2.gz AIXQZUAZNYFLIN-YLJYHZDGSA-N 1 1 453.384 4.418 20 0 JIADMO COc1ccc(-c2nnc(N(C)C[C@@H]3CC=CCC3)n2CC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC001300008398 1067359294 /nfs/dbraw/zinc/35/92/94/1067359294.db2.gz FYAHHRQPCRFYRG-LEWJYISDSA-N 1 1 453.631 4.487 20 0 JIADMO COc1ccc(-c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001300016762 1067376584 /nfs/dbraw/zinc/37/65/84/1067376584.db2.gz FARRMMYOBAULFR-OFVILXPXSA-N 1 1 496.700 4.301 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001492582030 1067389115 /nfs/dbraw/zinc/38/91/15/1067389115.db2.gz VWYUEERDKPYGMA-QHCPKHFHSA-N 1 1 480.701 4.137 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300024871 1067394878 /nfs/dbraw/zinc/39/48/78/1067394878.db2.gz PGMVTPMIKAWUMZ-DENIHFKCSA-N 1 1 455.647 4.325 20 0 JIADMO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC001300032480 1067428109 /nfs/dbraw/zinc/42/81/09/1067428109.db2.gz GKRUDGDUAHUKGE-HFMPRLQTSA-N 1 1 455.647 4.470 20 0 JIADMO COc1ccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300034816 1067439100 /nfs/dbraw/zinc/43/91/00/1067439100.db2.gz VFQBXKQSLRWORP-GMAHTHKFSA-N 1 1 455.647 4.183 20 0 JIADMO COCCOC(=O)Nc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001355418526 1067458495 /nfs/dbraw/zinc/45/84/95/1067458495.db2.gz NYBIYRPDKSQKHJ-LOSJGSFVSA-N 1 1 474.561 4.131 20 0 JIADMO Cc1ccccc1C1(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC001492555845 1067467571 /nfs/dbraw/zinc/46/75/71/1067467571.db2.gz VZAAYVIGBHUIKD-UHFFFAOYSA-N 1 1 466.674 4.013 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@H](C(C)C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC001300048551 1067503271 /nfs/dbraw/zinc/50/32/71/1067503271.db2.gz BJZGBGSLDIGZEN-GGAORHGYSA-N 1 1 485.673 4.336 20 0 JIADMO CC[C@H](NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355545073 1067506599 /nfs/dbraw/zinc/50/65/99/1067506599.db2.gz KSLMPJIWOXUCBE-PMACEKPBSA-N 1 1 456.493 4.084 20 0 JIADMO CC[C@H](NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355545073 1067506604 /nfs/dbraw/zinc/50/66/04/1067506604.db2.gz KSLMPJIWOXUCBE-PMACEKPBSA-N 1 1 456.493 4.084 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CC[N@@H+](C)C(C)C)cc1Br ZINC001300050984 1067512443 /nfs/dbraw/zinc/51/24/43/1067512443.db2.gz BKTLXKADEWAVAM-QHCPKHFHSA-N 1 1 494.478 4.452 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2CC[N@@H+](C)C(C)C)cc1Br ZINC001300050983 1067512647 /nfs/dbraw/zinc/51/26/47/1067512647.db2.gz BKTLXKADEWAVAM-HSZRJFAPSA-N 1 1 494.478 4.452 20 0 JIADMO O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001355606339 1067525155 /nfs/dbraw/zinc/52/51/55/1067525155.db2.gz XIZJTSVGYKHJHX-RTBURBONSA-N 1 1 454.423 4.419 20 0 JIADMO Cc1[nH+]ccn1CCCCn1c(Cc2ccccc2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001492582502 1067527288 /nfs/dbraw/zinc/52/72/88/1067527288.db2.gz KCNIVRSVJSYGMJ-QHCPKHFHSA-N 1 1 493.656 4.266 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001300057096 1067544429 /nfs/dbraw/zinc/54/44/29/1067544429.db2.gz SJTXVXIYODZZSY-JOCHJYFZSA-N 1 1 496.700 4.207 20 0 JIADMO COc1ccc(-c2nnc(N3CCCC[C@H](SC)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1OC ZINC001300060338 1067557870 /nfs/dbraw/zinc/55/78/70/1067557870.db2.gz WLCTYJIVYXULLZ-PXNSSMCTSA-N 1 1 459.660 4.167 20 0 JIADMO CN(C)C(=O)CCN1CCC([NH2+]Cc2cccc(Br)c2SC(C)(C)C)CC1 ZINC001200089089 1067585829 /nfs/dbraw/zinc/58/58/29/1067585829.db2.gz RCUYNIXVFZVGRU-UHFFFAOYSA-N 1 1 456.494 4.372 20 0 JIADMO C[C@H](CCc1ccc(I)cc1)CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001355868405 1067594945 /nfs/dbraw/zinc/59/49/45/1067594945.db2.gz PVVQWBNYRAXZIB-YVWKXTFCSA-N 1 1 454.396 4.193 20 0 JIADMO COc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1OCc1ccc(Cl)cc1Cl ZINC001355872894 1067595851 /nfs/dbraw/zinc/59/58/51/1067595851.db2.gz WHLIUVIVEGBITA-QKKBWIMNSA-N 1 1 453.366 4.030 20 0 JIADMO COc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1OCc1ccc(Cl)cc1Cl ZINC001355872894 1067595861 /nfs/dbraw/zinc/59/58/61/1067595861.db2.gz WHLIUVIVEGBITA-QKKBWIMNSA-N 1 1 453.366 4.030 20 0 JIADMO CN(C)c1nc(N2CCOC[C@@]3(CCCN(C(=S)Nc4cccc5ccccc54)C3)C2)cc[nH+]1 ZINC001200098640 1067611104 /nfs/dbraw/zinc/61/11/04/1067611104.db2.gz SEFMEMXKCUYNMK-SANMLTNESA-N 1 1 476.650 4.012 20 0 JIADMO COc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300078187 1067611884 /nfs/dbraw/zinc/61/18/84/1067611884.db2.gz GOZOWQCPASTRBI-GHTZIAJQSA-N 1 1 481.563 4.233 20 0 JIADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)c2cc3cccc(Cl)c3s2)cc1 ZINC001352699590 1067632703 /nfs/dbraw/zinc/63/27/03/1067632703.db2.gz JCUJEHQIYWPYRP-UHFFFAOYSA-N 1 1 456.999 4.017 20 0 JIADMO CC(C)(C)Oc1ccccc1CNC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC001200107826 1067637383 /nfs/dbraw/zinc/63/73/83/1067637383.db2.gz RVJWNABFKIHREB-UHFFFAOYSA-N 1 1 450.583 4.473 20 0 JIADMO COc1ccc([C@@H]2CCCN2c2nnc(C(C)(C)C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300094114 1067655356 /nfs/dbraw/zinc/65/53/56/1067655356.db2.gz FNGCYPFPQHIHLR-PKTZIBPZSA-N 1 1 455.647 4.283 20 0 JIADMO COc1ccc([C@H]2CCCN2c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001300098621 1067667057 /nfs/dbraw/zinc/66/70/57/1067667057.db2.gz MQKSWBCRMYBIQP-XMMPIXPASA-N 1 1 465.646 4.220 20 0 JIADMO COc1ccc(C[C@@H](C)CN(C)c2nnc(-c3cccn3C)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300099060 1067669016 /nfs/dbraw/zinc/66/90/16/1067669016.db2.gz AYGOTJCYMAWBOU-FCHUYYIVSA-N 1 1 464.658 4.339 20 0 JIADMO COc1ccc(C2CCN(c3nnc(CC(C)C)n3CC3CCN(CC[NH+](C)C)CC3)CC2)cc1 ZINC001300099417 1067670864 /nfs/dbraw/zinc/67/08/64/1067670864.db2.gz GLFHTFZUNXEDMX-UHFFFAOYSA-N 1 1 482.717 4.143 20 0 JIADMO Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2)cc1F ZINC001356145050 1067671526 /nfs/dbraw/zinc/67/15/26/1067671526.db2.gz DCKKBJRTCQLRHC-KSZLIROESA-N 1 1 452.530 4.284 20 0 JIADMO Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2)cc1F ZINC001356145050 1067671536 /nfs/dbraw/zinc/67/15/36/1067671536.db2.gz DCKKBJRTCQLRHC-KSZLIROESA-N 1 1 452.530 4.284 20 0 JIADMO Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)n2)cc1F ZINC001356145054 1067671553 /nfs/dbraw/zinc/67/15/53/1067671553.db2.gz DCKKBJRTCQLRHC-KURKYZTESA-N 1 1 452.530 4.284 20 0 JIADMO COc1ccc(C[C@H](C)CN(C)c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001300103794 1067684985 /nfs/dbraw/zinc/68/49/85/1067684985.db2.gz DQEKNFJMPKSDOD-NRFANRHFSA-N 1 1 460.626 4.234 20 0 JIADMO C[C@H](c1ccc(NC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc1)[NH+]1CCOCC1 ZINC001200123207 1067688083 /nfs/dbraw/zinc/68/80/83/1067688083.db2.gz YZACWGPXGWBJRI-MRXNPFEDSA-N 1 1 452.382 4.413 20 0 JIADMO COc1ccc(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001300107180 1067697911 /nfs/dbraw/zinc/69/79/11/1067697911.db2.gz GRPDPMIEPYSBRU-URXFXBBRSA-N 1 1 469.674 4.055 20 0 JIADMO COC(=O)c1ccc2c(c1)[C@H](CNC(=O)Nc1ccc([C@@H](C)[NH+]3CCOCC3)cc1)CCC2 ZINC001200128864 1067709331 /nfs/dbraw/zinc/70/93/31/1067709331.db2.gz JJYKWQZTFCNSCM-GCJKJVERSA-N 1 1 451.567 4.108 20 0 JIADMO C[C@H](c1ccc(NC(=O)NC2CC3(C2)CC(NC(=O)OC(C)(C)C)C3)cc1)[NH+]1CCOCC1 ZINC001200130768 1067712688 /nfs/dbraw/zinc/71/26/88/1067712688.db2.gz ZQWQPNOEWPBRGC-BTWQLHIQSA-N 1 1 458.603 4.037 20 0 JIADMO COc1ccc(CCc2nnc(N(C)C[C@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300115414 1067724713 /nfs/dbraw/zinc/72/47/13/1067724713.db2.gz YWCMLMJHYGMNSK-ISKFKSNPSA-N 1 1 483.701 4.445 20 0 JIADMO COc1ccc(CCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001300117986 1067729963 /nfs/dbraw/zinc/72/99/63/1067729963.db2.gz RXJPJLBXMGVJAQ-QFIPXVFZSA-N 1 1 469.674 4.055 20 0 JIADMO COc1ccc(CCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001300117986 1067729975 /nfs/dbraw/zinc/72/99/75/1067729975.db2.gz RXJPJLBXMGVJAQ-QFIPXVFZSA-N 1 1 469.674 4.055 20 0 JIADMO C[C@@H]1CN(C(=O)[C@@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001356353691 1067733586 /nfs/dbraw/zinc/73/35/86/1067733586.db2.gz BNTVYZDFAYAGGG-MSYCTHLASA-N 1 1 453.583 4.235 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H]2OCCC2(C)C)cc1 ZINC001300119910 1067734896 /nfs/dbraw/zinc/73/48/96/1067734896.db2.gz ZWOBDPGDPVRMMW-VWLOTQADSA-N 1 1 483.701 4.444 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)n2CCC(C)(C)O)cc1 ZINC001300119940 1067735007 /nfs/dbraw/zinc/73/50/07/1067735007.db2.gz BUXMLOZEYHZWKT-LADGPHEKSA-N 1 1 483.701 4.324 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC001356357243 1067735062 /nfs/dbraw/zinc/73/50/62/1067735062.db2.gz VGQIFFSUNJXXBG-QZTJIDSGSA-N 1 1 453.384 4.370 20 0 JIADMO CCCNC(=O)c1cccc(C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)c1 ZINC001356362602 1067735298 /nfs/dbraw/zinc/73/52/98/1067735298.db2.gz BLNHHDVPFRKWFG-QGZVFWFLSA-N 1 1 454.546 4.031 20 0 JIADMO CCCNC(=O)c1cccc(C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)c1 ZINC001356362602 1067735306 /nfs/dbraw/zinc/73/53/06/1067735306.db2.gz BLNHHDVPFRKWFG-QGZVFWFLSA-N 1 1 454.546 4.031 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c(F)cccc1I ZINC001356358872 1067735596 /nfs/dbraw/zinc/73/55/96/1067735596.db2.gz ZKAKQKDUNYSDMY-LSDHHAIUSA-N 1 1 452.311 4.165 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c(F)cccc1I ZINC001356358872 1067735601 /nfs/dbraw/zinc/73/56/01/1067735601.db2.gz ZKAKQKDUNYSDMY-LSDHHAIUSA-N 1 1 452.311 4.165 20 0 JIADMO COc1ccccc1COC1CCN(C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC001356379209 1067740102 /nfs/dbraw/zinc/74/01/02/1067740102.db2.gz XJYPSROBWNTGKM-NHCUHLMSSA-N 1 1 452.595 4.126 20 0 JIADMO COc1ccc(CCc2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CCC(C)(F)F)cc1 ZINC001300126380 1067753276 /nfs/dbraw/zinc/75/32/76/1067753276.db2.gz FGOHBDIWOYCACY-LJQANCHMSA-N 1 1 461.601 4.428 20 0 JIADMO COc1ccc(CCn2c(-c3ccc[nH]3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cc1F ZINC001300143362 1067796813 /nfs/dbraw/zinc/79/68/13/1067796813.db2.gz DNQDVSSLJNRGFU-UHFFFAOYSA-N 1 1 454.594 4.220 20 0 JIADMO 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C[C@H]1C[NH+](Cc2ccccc2CNC(=O)NCCCNc2ccc(C(F)(F)F)cn2)C[C@H](C)O1 ZINC000503410028 1068605076 /nfs/dbraw/zinc/60/50/76/1068605076.db2.gz YQRWFZULXLSJTK-ROUUACIJSA-N 1 1 479.547 4.011 20 0 JIADMO 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 1068631321 /nfs/dbraw/zinc/63/13/21/1068631321.db2.gz APLYIOPDNKLXFC-UBFVSLLYSA-N 1 1 499.700 4.199 20 0 JIADMO COc1cccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001300420897 1068635575 /nfs/dbraw/zinc/63/55/75/1068635575.db2.gz NDUKOIRPZBJLQK-GOSISDBHSA-N 1 1 454.644 4.011 20 0 JIADMO C[C@H]1C[C@@H](N(C)C(=O)c2oc3ccccc3c2CS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001353843049 1068653138 /nfs/dbraw/zinc/65/31/38/1068653138.db2.gz AUCPSQHQLRXJAW-ICSRJNTNSA-N 1 1 454.592 4.103 20 0 JIADMO C[C@H]1C[C@@H](N(C)C(=O)c2oc3ccccc3c2CS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001353843049 1068653159 /nfs/dbraw/zinc/65/31/59/1068653159.db2.gz AUCPSQHQLRXJAW-ICSRJNTNSA-N 1 1 454.592 4.103 20 0 JIADMO C[C@@H]1C[C@H](N(C)C(=O)c2oc3ccccc3c2CS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001353843058 1068653350 /nfs/dbraw/zinc/65/33/50/1068653350.db2.gz AUCPSQHQLRXJAW-UYAOXDASSA-N 1 1 454.592 4.103 20 0 JIADMO C[C@@H]1C[C@H](N(C)C(=O)c2oc3ccccc3c2CS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001353843058 1068653366 /nfs/dbraw/zinc/65/33/66/1068653366.db2.gz AUCPSQHQLRXJAW-UYAOXDASSA-N 1 1 454.592 4.103 20 0 JIADMO C[C@@H]1C[C@@H](N(C)C(=O)CSc2nnc(-c3ccc(F)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC001353844563 1068656087 /nfs/dbraw/zinc/65/60/87/1068656087.db2.gz IWVJXJBMDAUAJA-UTKZUKDTSA-N 1 1 454.571 4.479 20 0 JIADMO CCC[C@@H]1CN(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)CC[N@H+]1CCOC ZINC001200473379 1068684682 /nfs/dbraw/zinc/68/46/82/1068684682.db2.gz GKSYQOMIAPZVKC-GPNASLBKSA-N 1 1 457.640 4.100 20 0 JIADMO COc1cccc(F)c1N1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001300440144 1068713037 /nfs/dbraw/zinc/71/30/37/1068713037.db2.gz QENLIAAJELIILA-SFTDATJTSA-N 1 1 486.680 4.461 20 0 JIADMO CC[C@@H](C)NC(=S)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001200491269 1068733862 /nfs/dbraw/zinc/73/38/62/1068733862.db2.gz HEQZKSOYXMZHAO-IRLDBZIGSA-N 1 1 474.715 4.398 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCC3(F)CCC3)CC2)c1 ZINC001300450005 1068752551 /nfs/dbraw/zinc/75/25/51/1068752551.db2.gz CYFVGNWUETUKGN-UHFFFAOYSA-N 1 1 473.637 4.359 20 0 JIADMO C[C@@H](Oc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1 ZINC001200508197 1068784222 /nfs/dbraw/zinc/78/42/22/1068784222.db2.gz QGWXONKOTNAGRQ-VEEZFSHISA-N 1 1 450.583 4.032 20 0 JIADMO COc1cccc(CNC(=S)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)c1OC ZINC001200511784 1068800463 /nfs/dbraw/zinc/80/04/63/1068800463.db2.gz JFVPSKMHAXJWSE-TYPHKJRUSA-N 1 1 459.681 4.372 20 0 JIADMO COc1ccccc1-c1nnc(N(C)Cc2c(C)noc2C)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001300464757 1068802818 /nfs/dbraw/zinc/80/28/18/1068802818.db2.gz DAADEHVXXJEESZ-UHFFFAOYSA-N 1 1 452.603 4.317 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492566344 1068825388 /nfs/dbraw/zinc/82/53/88/1068825388.db2.gz QIVUZUZHYLJQLF-XJUOHMSHSA-N 1 1 466.674 4.103 20 0 JIADMO COc1ccccc1-c1nnc(N2C[C@H](OC)C(C)(C)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001300484725 1068842037 /nfs/dbraw/zinc/84/20/37/1068842037.db2.gz VTKXWHOHQGEMBH-REWPJTCUSA-N 1 1 455.647 4.327 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001492568272 1068842999 /nfs/dbraw/zinc/84/29/99/1068842999.db2.gz UYTPXSQUDSMIFL-QHCPKHFHSA-N 1 1 480.701 4.460 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCC(=O)N1CCCCCC1 ZINC001300485317 1068843756 /nfs/dbraw/zinc/84/37/56/1068843756.db2.gz HYZKULPUEZWKEE-UHFFFAOYSA-N 1 1 496.700 4.303 20 0 JIADMO COc1cc(NC(=S)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(OC)cc1Cl ZINC001200535054 1068845566 /nfs/dbraw/zinc/84/55/66/1068845566.db2.gz FMJPDVNCVZNKMF-WBVHZDCISA-N 1 1 465.978 4.031 20 0 JIADMO COc1cc(NC(=S)N2CC[C@@H]([NH+]3CCOCC3)[C@@H]2Cc2ccccc2)c(OC)cc1Cl ZINC001200535894 1068849080 /nfs/dbraw/zinc/84/90/80/1068849080.db2.gz XEMUEGSUPPGCQG-RTWAWAEBSA-N 1 1 476.042 4.072 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[C@@H](OCC(C)C)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001300491677 1068856907 /nfs/dbraw/zinc/85/69/07/1068856907.db2.gz NZXVBUFLXPFPRE-NFBKMPQASA-N 1 1 455.647 4.325 20 0 JIADMO COCC[S@](=O)Cc1cccc(NC(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC001200543214 1068860703 /nfs/dbraw/zinc/86/07/03/1068860703.db2.gz RYOQKVKYENUXAT-QNLPTKCRSA-N 1 1 457.640 4.100 20 0 JIADMO COC(=O)c1ccccc1C[NH+]1CCC(NC(=S)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC001200549344 1068870133 /nfs/dbraw/zinc/87/01/33/1068870133.db2.gz QCYZIXHTXBASTO-UHFFFAOYSA-N 1 1 478.014 4.095 20 0 JIADMO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001300513522 1068894473 /nfs/dbraw/zinc/89/44/73/1068894473.db2.gz OCXQZAHVRMOPAJ-LJQANCHMSA-N 1 1 494.606 4.149 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@H](OC)C(C)C ZINC001300514156 1068895781 /nfs/dbraw/zinc/89/57/81/1068895781.db2.gz YGUBUCRKAWRFEN-QFIPXVFZSA-N 1 1 455.628 4.008 20 0 JIADMO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCn1cc[nH+]c1C ZINC001300525778 1068927047 /nfs/dbraw/zinc/92/70/47/1068927047.db2.gz VAKXTKUKQWKNBH-INIZCTEOSA-N 1 1 498.429 4.317 20 0 JIADMO COc1ccccc1C[C@H](C)N(C)c1nnc(CC(C)(C)C)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001300530925 1068941820 /nfs/dbraw/zinc/94/18/20/1068941820.db2.gz SLDCXXUDKZLDHI-VQTJNVASSA-N 1 1 450.631 4.402 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)Cc2cscn2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001300539698 1068967625 /nfs/dbraw/zinc/96/76/25/1068967625.db2.gz KXONWWOFBIVUJF-LJQANCHMSA-N 1 1 454.644 4.091 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)C(C)C ZINC001300542543 1068976601 /nfs/dbraw/zinc/97/66/01/1068976601.db2.gz ZEAFTVIYBGFRTD-OYRHEFFESA-N 1 1 457.663 4.105 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)C(C)C ZINC001300542543 1068976614 /nfs/dbraw/zinc/97/66/14/1068976614.db2.gz ZEAFTVIYBGFRTD-OYRHEFFESA-N 1 1 457.663 4.105 20 0 JIADMO CC(C)(C)OC(=O)N1CCC([N@H+]2CC[C@@H](NC(=S)Nc3ccc(F)c(Cl)c3)C2)CC1 ZINC001200598363 1068989465 /nfs/dbraw/zinc/98/94/65/1068989465.db2.gz YCVXQCVZWQMNOH-OAHLLOKOSA-N 1 1 457.015 4.239 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001300556042 1069011095 /nfs/dbraw/zinc/01/10/95/1069011095.db2.gz MNRLMRSAPNSUKA-NDEPHWFRSA-N 1 1 483.701 4.375 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@H](C)OC ZINC001300560777 1069029052 /nfs/dbraw/zinc/02/90/52/1069029052.db2.gz BRSNADIFOIEZRS-FDFHNCONSA-N 1 1 455.647 4.003 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@H](C)OC ZINC001300560776 1069029197 /nfs/dbraw/zinc/02/91/97/1069029197.db2.gz BRSNADIFOIEZRS-BHIFYINESA-N 1 1 455.647 4.003 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001300563125 1069039709 /nfs/dbraw/zinc/03/97/09/1069039709.db2.gz NAUUNECCRDVUSW-KCWPFWIISA-N 1 1 469.674 4.393 20 0 JIADMO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CC2(CCOCC2)[C@H]1c1cnn(CC(C)C)c1 ZINC000849479424 1069048037 /nfs/dbraw/zinc/04/80/37/1069048037.db2.gz QNGYOKXWBZRUHX-XMMPIXPASA-N 1 1 467.566 4.434 20 0 JIADMO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC2(CCOCC2)[C@H]1c1cnn(CC(C)C)c1 ZINC000849479424 1069048054 /nfs/dbraw/zinc/04/80/54/1069048054.db2.gz QNGYOKXWBZRUHX-XMMPIXPASA-N 1 1 467.566 4.434 20 0 JIADMO Cc1ccccc1[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001492573054 1069050933 /nfs/dbraw/zinc/05/09/33/1069050933.db2.gz NRYKCDHONISRJZ-FUPPJEDESA-N 1 1 466.674 4.087 20 0 JIADMO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849482767 1069051942 /nfs/dbraw/zinc/05/19/42/1069051942.db2.gz SISZWNMICBCCGY-WOJBJXKFSA-N 1 1 494.467 4.418 20 0 JIADMO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849487687 1069054701 /nfs/dbraw/zinc/05/47/01/1069054701.db2.gz MFKGWURRQMVLSE-QZTJIDSGSA-N 1 1 480.440 4.028 20 0 JIADMO COc1ccc(C)cc1-c1csc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)n1 ZINC000849491103 1069057570 /nfs/dbraw/zinc/05/75/70/1069057570.db2.gz QZGFVIRJDGFSJC-QUCCMNQESA-N 1 1 453.612 4.313 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849491536 1069060339 /nfs/dbraw/zinc/06/03/39/1069060339.db2.gz YXFBKLFNQVMCKY-JWQCQUIFSA-N 1 1 450.558 4.482 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(NC(=O)c3cccs3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849493741 1069064595 /nfs/dbraw/zinc/06/45/95/1069064595.db2.gz YYORAQQDLFUABA-SFTDATJTSA-N 1 1 451.596 4.187 20 0 JIADMO CCCN(Cc1ccccc1Br)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849495350 1069064699 /nfs/dbraw/zinc/06/46/99/1069064699.db2.gz BUUGWMBCZCKMFS-NHCUHLMSSA-N 1 1 461.448 4.435 20 0 JIADMO CCCN(Cc1ccccc1Br)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849495351 1069065854 /nfs/dbraw/zinc/06/58/54/1069065854.db2.gz BUUGWMBCZCKMFS-RTWAWAEBSA-N 1 1 461.448 4.435 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC(C)(C)c2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849497042 1069068555 /nfs/dbraw/zinc/06/85/55/1069068555.db2.gz CONRWFPQGOBXPZ-NHCUHLMSSA-N 1 1 461.448 4.091 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2cccc(COCc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849501535 1069073959 /nfs/dbraw/zinc/07/39/59/1069073959.db2.gz WBZVAXAAIUNUHI-SVBPBHIXSA-N 1 1 460.622 4.267 20 0 JIADMO Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)s2)cc1F ZINC000849503897 1069082427 /nfs/dbraw/zinc/08/24/27/1069082427.db2.gz MWSWWVCLRJMETM-RTWAWAEBSA-N 1 1 455.603 4.368 20 0 JIADMO CCOc1ccc(Oc2cc(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)ccn2)cc1 ZINC000849504821 1069083430 /nfs/dbraw/zinc/08/34/30/1069083430.db2.gz QVFSUQDAMMBQKP-LOSJGSFVSA-N 1 1 477.609 4.136 20 0 JIADMO CCOc1ccc(Oc2cc(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)ccn2)cc1 ZINC000849504819 1069083483 /nfs/dbraw/zinc/08/34/83/1069083483.db2.gz QVFSUQDAMMBQKP-DQEYMECFSA-N 1 1 477.609 4.136 20 0 JIADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)Nc3nnc(Cc4cccc(F)c4)s3)CC2)c1C ZINC000504158926 1069083823 /nfs/dbraw/zinc/08/38/23/1069083823.db2.gz WZSKNFKFQMEEJW-UHFFFAOYSA-N 1 1 498.628 4.417 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC2(c3cccc(Br)c3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849504675 1069084479 /nfs/dbraw/zinc/08/44/79/1069084479.db2.gz DJHFJYRKPBPERV-FGZHOGPDSA-N 1 1 473.459 4.235 20 0 JIADMO COc1ccc(CN(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849506274 1069085252 /nfs/dbraw/zinc/08/52/52/1069085252.db2.gz MDCHPSQAHXLNRK-SVBPBHIXSA-N 1 1 460.622 4.472 20 0 JIADMO COc1ccc2[nH]cc(C3CCN(C(=O)[C@@H]4CC[N@H+](C(C)C)C[C@@H]4c4cnn(C)c4)CC3)c2c1 ZINC000849505899 1069086183 /nfs/dbraw/zinc/08/61/83/1069086183.db2.gz KEWJXFUNBDVHIE-RCZVLFRGSA-N 1 1 463.626 4.130 20 0 JIADMO 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 1069087937 /nfs/dbraw/zinc/08/79/37/1069087937.db2.gz WYWUDKRDYTYMQM-JLSDUUJJSA-N 1 1 452.546 4.392 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300573637 1069089585 /nfs/dbraw/zinc/08/95/85/1069089585.db2.gz JOUPYTAZBKIBCK-KNQAVFIVSA-N 1 1 495.590 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N[C@H](C)CCc2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849507588 1069089929 /nfs/dbraw/zinc/08/99/29/1069089929.db2.gz QETHVLXZJYVIHC-ZPMCFJSWSA-N 1 1 461.448 4.134 20 0 JIADMO CC(C)N(Cc1cccc(Br)c1)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849509606 1069092057 /nfs/dbraw/zinc/09/20/57/1069092057.db2.gz LYQNARJVXPGXLS-YADHBBJMSA-N 1 1 461.448 4.434 20 0 JIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cn(-c4ccc(Br)cc4)cn3)cc2)CC1 ZINC001354307287 1069094379 /nfs/dbraw/zinc/09/43/79/1069094379.db2.gz DXZBQGKFSVCIDO-UHFFFAOYSA-N 1 1 454.372 4.029 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849510833 1069094658 /nfs/dbraw/zinc/09/46/58/1069094658.db2.gz VEXNSRQRQUMUQB-RJGXRXQPSA-N 1 1 473.459 4.230 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)[C@@H](c2cnn(C)c2)C1 ZINC000849510681 1069095489 /nfs/dbraw/zinc/09/54/89/1069095489.db2.gz KXZTZLLYVFFOLY-TZIWHRDSSA-N 1 1 481.000 4.173 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCCCOc2ccc(Cl)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849511809 1069096174 /nfs/dbraw/zinc/09/61/74/1069096174.db2.gz USYCLJLLDWXDOG-RBUKOAKNSA-N 1 1 453.414 4.126 20 0 JIADMO CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849513377 1069097377 /nfs/dbraw/zinc/09/73/77/1069097377.db2.gz SAYPGGNZUZGSQQ-DNQXCXABSA-N 1 1 467.589 4.121 20 0 JIADMO Cc1ccc(C(=O)Nc2ccc(OC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)cc1 ZINC000849514506 1069098084 /nfs/dbraw/zinc/09/80/84/1069098084.db2.gz BXSOGNMSTRIGLV-DQEYMECFSA-N 1 1 460.578 4.400 20 0 JIADMO Cc1ccc(C(=O)Nc2ccc(OC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)cc1 ZINC000849514511 1069098894 /nfs/dbraw/zinc/09/88/94/1069098894.db2.gz BXSOGNMSTRIGLV-RPBOFIJWSA-N 1 1 460.578 4.400 20 0 JIADMO 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 1069099199 /nfs/dbraw/zinc/09/91/99/1069099199.db2.gz LRZKAZJWOKWGCP-SFTDATJTSA-N 1 1 474.531 4.386 20 0 JIADMO Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)[C@@H]4CC[N@H+](C)C[C@@H]4c4cnn(C)c4)cc3s2)s1 ZINC000849516431 1069100489 /nfs/dbraw/zinc/10/04/89/1069100489.db2.gz PNLQJILTUBTNBS-QZTJIDSGSA-N 1 1 494.646 4.326 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849517000 1069103375 /nfs/dbraw/zinc/10/33/75/1069103375.db2.gz RRWCNQOIHWWNMU-RPBOFIJWSA-N 1 1 474.609 4.194 20 0 JIADMO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518232 1069104847 /nfs/dbraw/zinc/10/48/47/1069104847.db2.gz QKYIWPBVRJVKAI-FTJBHMTQSA-N 1 1 494.684 4.077 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518232 1069104861 /nfs/dbraw/zinc/10/48/61/1069104861.db2.gz QKYIWPBVRJVKAI-FTJBHMTQSA-N 1 1 494.684 4.077 20 0 JIADMO COc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cc1OCc1ccc2ccccc2n1 ZINC000849518340 1069105278 /nfs/dbraw/zinc/10/52/78/1069105278.db2.gz GRBLSQVTMVUGPK-RPWUZVMVSA-N 1 1 485.588 4.230 20 0 JIADMO COc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc1OCc1ccc2ccccc2n1 ZINC000849518337 1069105304 /nfs/dbraw/zinc/10/53/04/1069105304.db2.gz GRBLSQVTMVUGPK-BJKOFHAPSA-N 1 1 485.588 4.230 20 0 JIADMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000849519343 1069107931 /nfs/dbraw/zinc/10/79/31/1069107931.db2.gz JBDOMEOIFJALLY-MUEKUWCCSA-N 1 1 450.558 4.051 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518633 1069110916 /nfs/dbraw/zinc/11/09/16/1069110916.db2.gz SGTHKYLCTRWBNK-RTWAWAEBSA-N 1 1 474.531 4.136 20 0 JIADMO Cc1cc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)n(-c2ccccc2C(F)(F)F)n1 ZINC000849520446 1069111106 /nfs/dbraw/zinc/11/11/06/1069111106.db2.gz ZLPOUAKZCIMPIE-OALUTQOASA-N 1 1 474.531 4.386 20 0 JIADMO COc1cccc(-c2cc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)n(-c3ccc(C)cc3)n2)c1 ZINC000849519815 1069111826 /nfs/dbraw/zinc/11/18/26/1069111826.db2.gz WZQJHEKBSWJFEJ-JWQCQUIFSA-N 1 1 484.604 4.264 20 0 JIADMO Cc1ccc(-c2cc(NC(=O)[C@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)n(-c3ccccc3)n2)cc1 ZINC000849519545 1069112860 /nfs/dbraw/zinc/11/28/60/1069112860.db2.gz VGDPXMKRYKTXOB-BJKOFHAPSA-N 1 1 454.578 4.255 20 0 JIADMO Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849519577 1069112878 /nfs/dbraw/zinc/11/28/78/1069112878.db2.gz KIAGFXSRVPNMIF-ISJGIBHGSA-N 1 1 460.626 4.303 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849522069 1069114488 /nfs/dbraw/zinc/11/44/88/1069114488.db2.gz WXVJYLBXTYHYJS-LOSJGSFVSA-N 1 1 450.627 4.140 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849522071 1069114824 /nfs/dbraw/zinc/11/48/24/1069114824.db2.gz WXVJYLBXTYHYJS-RPBOFIJWSA-N 1 1 450.627 4.140 20 0 JIADMO 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 1069123266 /nfs/dbraw/zinc/12/32/66/1069123266.db2.gz PVMDIEKPEPKSNG-VQTJNVASSA-N 1 1 460.022 4.007 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849527144 1069125186 /nfs/dbraw/zinc/12/51/86/1069125186.db2.gz VDMFHEMCDKCLBQ-RTWAWAEBSA-N 1 1 472.033 4.152 20 0 JIADMO COc1ccccc1CCN(C)c1nnc(-c2cccn2C)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300583016 1069125504 /nfs/dbraw/zinc/12/55/04/1069125504.db2.gz MXVCDFHHRXUTEO-SFTDATJTSA-N 1 1 450.631 4.092 20 0 JIADMO 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 1069143058 /nfs/dbraw/zinc/14/30/58/1069143058.db2.gz BVAWJYMZSCXFJA-JUIYCPNDSA-N 1 1 463.666 4.215 20 0 JIADMO COc1ccc(CCN(CC(C)(C)C)C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849546295 1069181103 /nfs/dbraw/zinc/18/11/03/1069181103.db2.gz AKLHEMQEBLKWDK-JWQCQUIFSA-N 1 1 454.659 4.360 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cn1 ZINC000849547150 1069182687 /nfs/dbraw/zinc/18/26/87/1069182687.db2.gz FRXSPDDXFFUAMV-ROUUACIJSA-N 1 1 487.391 4.048 20 0 JIADMO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c1C ZINC000849546959 1069185065 /nfs/dbraw/zinc/18/50/65/1069185065.db2.gz CHXWVVOGUMEBMC-QZTJIDSGSA-N 1 1 461.397 4.203 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849547720 1069186138 /nfs/dbraw/zinc/18/61/38/1069186138.db2.gz JQKDILNFRCMSOL-PMACEKPBSA-N 1 1 454.962 4.108 20 0 JIADMO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)Cc1cccc(Br)c1 ZINC000849549006 1069187057 /nfs/dbraw/zinc/18/70/57/1069187057.db2.gz QAHINWMLFKSXJB-CDNPAEQRSA-N 1 1 475.475 4.382 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849547722 1069187123 /nfs/dbraw/zinc/18/71/23/1069187123.db2.gz JQKDILNFRCMSOL-VQTJNVASSA-N 1 1 454.962 4.108 20 0 JIADMO CC(C)OC(=O)c1c2c(sc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)CCCC2 ZINC000849549245 1069187233 /nfs/dbraw/zinc/18/72/33/1069187233.db2.gz RLKVZSXEVFKANC-UYAOXDASSA-N 1 1 472.655 4.378 20 0 JIADMO CN(C(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c1)c1ccccc1 ZINC000849550134 1069189751 /nfs/dbraw/zinc/18/97/51/1069189751.db2.gz CJMMYHVBAFUQIR-LEWJYISDSA-N 1 1 465.985 4.024 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCc2ccccc2COc2ccccc2Cl)cn1 ZINC000849550391 1069189852 /nfs/dbraw/zinc/18/98/52/1069189852.db2.gz DFUVDMZULAHUSN-FGZHOGPDSA-N 1 1 452.986 4.004 20 0 JIADMO 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 1069190695 /nfs/dbraw/zinc/19/06/95/1069190695.db2.gz AKMLIPOPTSEZCV-CDNPAEQRSA-N 1 1 469.630 4.458 20 0 JIADMO Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849551357 1069191154 /nfs/dbraw/zinc/19/11/54/1069191154.db2.gz JBOPJKWPKHBSSP-SFTDATJTSA-N 1 1 460.557 4.095 20 0 JIADMO CN(C(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c1)c1ccccc1 ZINC000849550137 1069191195 /nfs/dbraw/zinc/19/11/95/1069191195.db2.gz CJMMYHVBAFUQIR-SFTDATJTSA-N 1 1 465.985 4.024 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849550533 1069192284 /nfs/dbraw/zinc/19/22/84/1069192284.db2.gz ZFTIGGCBOXQRJP-ZEQRLZLVSA-N 1 1 456.656 4.285 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)cn1 ZINC000849552279 1069193505 /nfs/dbraw/zinc/19/35/05/1069193505.db2.gz NGUQXMJWLDINNG-NHCUHLMSSA-N 1 1 483.410 4.436 20 0 JIADMO CSc1cccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccc(F)c(F)c2)c1 ZINC000849553362 1069194943 /nfs/dbraw/zinc/19/49/43/1069194943.db2.gz JDNAUUMYGYIQCO-DPLHUUCSSA-N 1 1 470.589 4.361 20 0 JIADMO COc1cccc([C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c2ccccc2Cl)c1 ZINC000849553823 1069198181 /nfs/dbraw/zinc/19/81/81/1069198181.db2.gz TUJHGNAHGLJINP-FJIJXJHWSA-N 1 1 452.986 4.023 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000849555127 1069201114 /nfs/dbraw/zinc/20/11/14/1069201114.db2.gz XHZJEMUPAUHGTF-VXKWHMMOSA-N 1 1 465.425 4.080 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)cc1 ZINC000849555506 1069203375 /nfs/dbraw/zinc/20/33/75/1069203375.db2.gz ZHCAUIOCJRGEIK-SSPYTLHUSA-N 1 1 452.986 4.023 20 0 JIADMO COc1cccc(C(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2cccc(OC)c2)c1 ZINC000849557835 1069204612 /nfs/dbraw/zinc/20/46/12/1069204612.db2.gz KAZOHRCKWMRVJY-UIOOFZCWSA-N 1 1 476.621 4.157 20 0 JIADMO 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 1069208111 /nfs/dbraw/zinc/20/81/11/1069208111.db2.gz YBEAEJQUNTXLDF-CEMLEFRQSA-N 1 1 466.548 4.227 20 0 JIADMO CC(C)Oc1cc(Br)cc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849559750 1069208627 /nfs/dbraw/zinc/20/86/27/1069208627.db2.gz WIDNGUAVNPWDRT-RTWAWAEBSA-N 1 1 463.420 4.422 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849563246 1069211026 /nfs/dbraw/zinc/21/10/26/1069211026.db2.gz JHSLMYJFOOLCNZ-LEWJYISDSA-N 1 1 460.504 4.077 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849563249 1069211841 /nfs/dbraw/zinc/21/18/41/1069211841.db2.gz JHSLMYJFOOLCNZ-SFTDATJTSA-N 1 1 460.504 4.077 20 0 JIADMO CCC1(CC)CN(C(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccc(Br)cc21 ZINC000849565123 1069214503 /nfs/dbraw/zinc/21/45/03/1069214503.db2.gz TZZNBZHIIWVFOR-OALUTQOASA-N 1 1 459.432 4.323 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849567373 1069217706 /nfs/dbraw/zinc/21/77/06/1069217706.db2.gz GTNIICMPHAVXCF-ILWGZMRPSA-N 1 1 459.034 4.205 20 0 JIADMO CCOc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2cccc(Cl)c2)cc1 ZINC000849567554 1069219669 /nfs/dbraw/zinc/21/96/69/1069219669.db2.gz HYDNGBSPMVSLRC-DSITVLBTSA-N 1 1 467.013 4.413 20 0 JIADMO COc1ccc(Oc2ccc(CCNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)cc1 ZINC000849569042 1069220534 /nfs/dbraw/zinc/22/05/34/1069220534.db2.gz RGPKGUQOLCOYJU-SXOMAYOGSA-N 1 1 476.621 4.394 20 0 JIADMO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849569792 1069221056 /nfs/dbraw/zinc/22/10/56/1069221056.db2.gz VTXJIIZDDFNISG-MSOLQXFVSA-N 1 1 492.418 4.204 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCCc2cccc(OCc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849573921 1069225287 /nfs/dbraw/zinc/22/52/87/1069225287.db2.gz VBWBCNMWNZFDHA-SVBPBHIXSA-N 1 1 460.622 4.172 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOC(C)(C)C)CC1 ZINC001300614514 1069225408 /nfs/dbraw/zinc/22/54/08/1069225408.db2.gz CXXMFJKYBTURNX-UHFFFAOYSA-N 1 1 485.032 4.139 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849575270 1069227054 /nfs/dbraw/zinc/22/70/54/1069227054.db2.gz ZSSXPULVUOIZDH-DNQXCXABSA-N 1 1 492.495 4.322 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](SC)C(C)(C)C)CC1 ZINC001300614798 1069227377 /nfs/dbraw/zinc/22/73/77/1069227377.db2.gz LFGAERNNCQJLNZ-JOCHJYFZSA-N 1 1 468.671 4.382 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)[C@H](c2cnn(C)c2)C1 ZINC000849575078 1069227416 /nfs/dbraw/zinc/22/74/16/1069227416.db2.gz BLFYGCCPCZRMPC-FSSWDIPSSA-N 1 1 475.033 4.474 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC=C(c3cccc(Br)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849577646 1069229710 /nfs/dbraw/zinc/22/97/10/1069229710.db2.gz IPYXSSLGYSXRHJ-GOTSBHOMSA-N 1 1 471.443 4.312 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(OCc3ccccc3F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849577996 1069229833 /nfs/dbraw/zinc/22/98/33/1069229833.db2.gz KEALODCZRVUFRM-DQEYMECFSA-N 1 1 464.585 4.269 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC=C(c3cccc(Br)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849577648 1069229860 /nfs/dbraw/zinc/22/98/60/1069229860.db2.gz IPYXSSLGYSXRHJ-XZOQPEGZSA-N 1 1 471.443 4.312 20 0 JIADMO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001492575370 1069230230 /nfs/dbraw/zinc/23/02/30/1069230230.db2.gz NKISDVGEXVFTPA-XMMPIXPASA-N 1 1 494.728 4.331 20 0 JIADMO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001492575369 1069230286 /nfs/dbraw/zinc/23/02/86/1069230286.db2.gz NKISDVGEXVFTPA-DEOSSOPVSA-N 1 1 494.728 4.331 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cc(Br)ccc2Br)[C@@H](c2cnn(C)c2)C1 ZINC000849579634 1069231859 /nfs/dbraw/zinc/23/18/59/1069231859.db2.gz XVZLERUDAACZMF-QZTJIDSGSA-N 1 1 498.263 4.075 20 0 JIADMO 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 1069235544 /nfs/dbraw/zinc/23/55/44/1069235544.db2.gz ZONNGZHZERZWOT-LSTHTHJFSA-N 1 1 467.441 4.467 20 0 JIADMO CC(C)C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849586220 1069236178 /nfs/dbraw/zinc/23/61/78/1069236178.db2.gz OJDWOHFVRQKSCR-XPNTWCBSSA-N 1 1 461.448 4.296 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@H]1CCCSC1 ZINC001492576071 1069237492 /nfs/dbraw/zinc/23/74/92/1069237492.db2.gz HSJHYXZZKKMARG-JOCHJYFZSA-N 1 1 471.715 4.115 20 0 JIADMO Cc1ccc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1Oc1ncccc1Br ZINC000849587392 1069237683 /nfs/dbraw/zinc/23/76/83/1069237683.db2.gz IDRYXRKDBKYBJK-OALUTQOASA-N 1 1 484.398 4.352 20 0 JIADMO 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 1069240620 /nfs/dbraw/zinc/24/06/20/1069240620.db2.gz UJUXIEGBCWTCLI-CVEARBPZSA-N 1 1 460.447 4.493 20 0 JIADMO Cc1nc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)sc1Cc1ccc(Cl)cc1F ZINC000849590441 1069241344 /nfs/dbraw/zinc/24/13/44/1069241344.db2.gz ZCFTXGRWISARAF-ROUUACIJSA-N 1 1 461.994 4.242 20 0 JIADMO Cc1nc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)sc1Cc1ccc(Cl)cc1F ZINC000849590442 1069241462 /nfs/dbraw/zinc/24/14/62/1069241462.db2.gz ZCFTXGRWISARAF-ZWKOTPCHSA-N 1 1 461.994 4.242 20 0 JIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001354467141 1069241779 /nfs/dbraw/zinc/24/17/79/1069241779.db2.gz SXPHQWLQJPPVKA-IBGZPJMESA-N 1 1 453.384 4.229 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(Br)cc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849590860 1069243010 /nfs/dbraw/zinc/24/30/10/1069243010.db2.gz ANBWYZHTCCPCNM-GDIGMMSISA-N 1 1 451.384 4.013 20 0 JIADMO COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)c1 ZINC000849593509 1069244375 /nfs/dbraw/zinc/24/43/75/1069244375.db2.gz UJPZTPJDRHZAER-SXOMAYOGSA-N 1 1 492.620 4.360 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849595499 1069246325 /nfs/dbraw/zinc/24/63/25/1069246325.db2.gz XXWXXSLPOJVUBJ-NHCUHLMSSA-N 1 1 467.614 4.022 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC2(c3ccc(Br)s3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849595166 1069247136 /nfs/dbraw/zinc/24/71/36/1069247136.db2.gz ZWGRKYVKFXGTLW-ZWKOTPCHSA-N 1 1 479.488 4.296 20 0 JIADMO Cc1cc(C(C)(C)NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1Br ZINC000849595105 1069247174 /nfs/dbraw/zinc/24/71/74/1069247174.db2.gz IOBPDBVGLJYKHL-VQTJNVASSA-N 1 1 461.448 4.356 20 0 JIADMO 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 1069247642 /nfs/dbraw/zinc/24/76/42/1069247642.db2.gz OAYUZXYZJCWDST-OCYFJXFZSA-N 1 1 478.559 4.241 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849594598 1069247665 /nfs/dbraw/zinc/24/76/65/1069247665.db2.gz FJEDAKRAWFNNMX-XZOQPEGZSA-N 1 1 458.050 4.015 20 0 JIADMO 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 1069247864 /nfs/dbraw/zinc/24/78/64/1069247864.db2.gz OAYUZXYZJCWDST-DZWOVHDNSA-N 1 1 478.559 4.241 20 0 JIADMO COc1ccc([C@H](Cc2ccccc2)NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849597514 1069251840 /nfs/dbraw/zinc/25/18/40/1069251840.db2.gz TXXFKBOKYYERER-PFBJBMPXSA-N 1 1 460.622 4.343 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc3c(Br)ccnc23)[C@H](c2cnn(C)c2)C1 ZINC000849604443 1069261783 /nfs/dbraw/zinc/26/17/83/1069261783.db2.gz XGINUJQZISGKAN-AEFFLSMTSA-N 1 1 456.388 4.183 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)[C@@H](c2cnn(C)c2)C1 ZINC000849606259 1069262266 /nfs/dbraw/zinc/26/22/66/1069262266.db2.gz NMRGWTAGVLZWQZ-DLBZAZTESA-N 1 1 489.443 4.154 20 0 JIADMO 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 1069263372 /nfs/dbraw/zinc/26/33/72/1069263372.db2.gz QMUDJXQSNWISAY-LUQKVYGDSA-N 1 1 465.495 4.274 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(CCc3ccc(F)cc3F)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849605749 1069263708 /nfs/dbraw/zinc/26/37/08/1069263708.db2.gz JMFHADRROXAEOI-DNQXCXABSA-N 1 1 458.597 4.384 20 0 JIADMO 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 1069266644 /nfs/dbraw/zinc/26/66/44/1069266644.db2.gz KOMMQCDGGDBALJ-IRXDYDNUSA-N 1 1 456.475 4.404 20 0 JIADMO COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849608984 1069266690 /nfs/dbraw/zinc/26/66/90/1069266690.db2.gz RIPBTJXYRGTZBS-UZKOGDIHSA-N 1 1 459.034 4.432 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC2(c3ccccc3Br)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849608947 1069267061 /nfs/dbraw/zinc/26/70/61/1069267061.db2.gz RCMQREMSYJKIPK-RBUKOAKNSA-N 1 1 459.432 4.192 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)[C@@H](c2cnn(C)c2)C1 ZINC000849612037 1069273244 /nfs/dbraw/zinc/27/32/44/1069273244.db2.gz FLVMSZSNPNCRMQ-DOTOQJQBSA-N 1 1 478.544 4.410 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)[C@@H](c2cnn(C)c2)C1 ZINC000849612652 1069275295 /nfs/dbraw/zinc/27/52/95/1069275295.db2.gz MPXGSUUVRGPWNW-RTBURBONSA-N 1 1 459.497 4.129 20 0 JIADMO CN(C)C(=O)c1cc2cnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2n1C1CCCC1 ZINC001164621092 719079031 /nfs/dbraw/zinc/07/90/31/719079031.db2.gz HAVJNTRHCLAAOZ-BWKNWUBXSA-N 1 1 472.637 4.349 20 0 JIADMO CN(C)C(=O)CO[C@@H]1CCC2(CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC2)c2ccccc21 ZINC001164630620 719140500 /nfs/dbraw/zinc/14/05/00/719140500.db2.gz KAHADXDQVNUGGS-RUZDIDTESA-N 1 1 462.638 4.154 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@H]32)n1 ZINC001164649135 719294714 /nfs/dbraw/zinc/29/47/14/719294714.db2.gz GVZDMCPDOXPXCW-LGVFNWMJSA-N 1 1 481.666 4.498 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H](N3CCCC3=O)[C@@H]3OCCC[C@H]3C2)n1 ZINC001164648052 719305383 /nfs/dbraw/zinc/30/53/83/719305383.db2.gz FRKALAMTUYDJAG-PIBDYAPNSA-N 1 1 491.661 4.026 20 0 JIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)CC2 ZINC001164652794 719314916 /nfs/dbraw/zinc/31/49/16/719314916.db2.gz QFKLSCWCCWNKRB-UHFFFAOYSA-N 1 1 452.990 4.389 20 0 JIADMO CCN(CC)C(=O)c1nc2c(s1)CCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)CC2 ZINC001164663516 719359983 /nfs/dbraw/zinc/35/99/83/719359983.db2.gz GVNHRESVWHWUFQ-UHFFFAOYSA-N 1 1 498.722 4.448 20 0 JIADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3cccs3)nc3sc4c(c31)CCC4)CC2 ZINC001164690230 719742909 /nfs/dbraw/zinc/74/29/09/719742909.db2.gz WBCRPFXVXWHZEJ-UHFFFAOYSA-N 1 1 467.664 4.089 20 0 JIADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164689885 719747700 /nfs/dbraw/zinc/74/77/00/719747700.db2.gz NQKHCXDRHXNCDO-UHFFFAOYSA-N 1 1 467.683 4.409 20 0 JIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncccc2C(=O)NCc2ccccc2)CC3)cs1 ZINC001164693377 719804957 /nfs/dbraw/zinc/80/49/57/719804957.db2.gz SKTBEQUMUNUULW-UHFFFAOYSA-N 1 1 461.635 4.412 20 0 JIADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC001164703517 719859043 /nfs/dbraw/zinc/85/90/43/719859043.db2.gz QCZURVKBNAGWSM-IBVKSMDESA-N 1 1 480.996 4.183 20 0 JIADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC001164707464 719867363 /nfs/dbraw/zinc/86/73/63/719867363.db2.gz SXHDGGABYKKFOF-KOSHJBKYSA-N 1 1 487.025 4.244 20 0 JIADMO Cn1cnc2c1cc(C1CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC1)nc2-c1cccnc1 ZINC001164699068 719881551 /nfs/dbraw/zinc/88/15/51/719881551.db2.gz GUTHLQMVOSNSBD-UHFFFAOYSA-N 1 1 453.594 4.404 20 0 JIADMO Clc1nc(Cl)c2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2n1 ZINC001164695300 719888817 /nfs/dbraw/zinc/88/88/17/719888817.db2.gz MGZZDOMCGRHLPF-UHFFFAOYSA-N 1 1 485.828 4.313 20 0 JIADMO Clc1nc(Cl)c2nc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2n1 ZINC001164695300 719888821 /nfs/dbraw/zinc/88/88/21/719888821.db2.gz MGZZDOMCGRHLPF-UHFFFAOYSA-N 1 1 485.828 4.313 20 0 JIADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164698359 719893472 /nfs/dbraw/zinc/89/34/72/719893472.db2.gz SABVMQHYXYVITQ-UHFFFAOYSA-N 1 1 463.047 4.150 20 0 JIADMO Cc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(-c2ccc(Cl)nc2)n1 ZINC001164707074 719903426 /nfs/dbraw/zinc/90/34/26/719903426.db2.gz MZUJIFFZTDEBCT-UHFFFAOYSA-N 1 1 456.015 4.433 20 0 JIADMO CCO[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)[C@H]2CCCO[C@H]12 ZINC001164713145 720063468 /nfs/dbraw/zinc/06/34/68/720063468.db2.gz MRXDNYKICVHBJR-YYDVJCTNSA-N 1 1 456.656 4.329 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)NC1CCCCC1)CC2 ZINC001164711086 720098955 /nfs/dbraw/zinc/09/89/55/720098955.db2.gz NWWWXUUVMFLKAM-XMMPIXPASA-N 1 1 477.653 4.047 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(SC)nc3sccc31)CC2 ZINC001164711079 720100034 /nfs/dbraw/zinc/10/00/34/720100034.db2.gz NWUXNESAMWBTLQ-GOSISDBHSA-N 1 1 455.653 4.316 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccc(OC)cc3nc1Cl)CC2 ZINC001164716950 720111739 /nfs/dbraw/zinc/11/17/39/720111739.db2.gz MDLOLYQRYGQQHG-IBGZPJMESA-N 1 1 468.001 4.194 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3cc(OC)c(OC)cc3nc1Cl)CC2 ZINC001164719463 720120154 /nfs/dbraw/zinc/12/01/54/720120154.db2.gz XIDASZSFKVMBIA-LJQANCHMSA-N 1 1 498.027 4.203 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ccc(OC)nc31)CC2 ZINC001164715510 720122209 /nfs/dbraw/zinc/12/22/09/720122209.db2.gz GRZVYCIQBXEXEY-IBGZPJMESA-N 1 1 468.001 4.194 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N1CCc3ccccc31)CC2 ZINC001164712196 720139994 /nfs/dbraw/zinc/13/99/94/720139994.db2.gz KWCXHGXCMZLPMK-RUZDIDTESA-N 1 1 497.643 4.187 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(Oc3ccc(F)cc3)n1)CC2 ZINC001164711240 720147270 /nfs/dbraw/zinc/14/72/70/720147270.db2.gz GJNXHNUKYBHJDD-JOCHJYFZSA-N 1 1 463.557 4.311 20 0 JIADMO 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CCOc1ccc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750745 720894579 /nfs/dbraw/zinc/89/45/79/720894579.db2.gz BSJXASRWAKUSID-SQJMNOBHSA-N 1 1 457.018 4.284 20 0 JIADMO CC(C)COc1cccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164756276 720902545 /nfs/dbraw/zinc/90/25/45/720902545.db2.gz PAFRFGRPMYOBPI-RPLLCQBOSA-N 1 1 450.627 4.267 20 0 JIADMO CSc1cnc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755244 720904963 /nfs/dbraw/zinc/90/49/63/720904963.db2.gz ZXMJJGDIVBXMEM-XXBNENTESA-N 1 1 460.047 4.002 20 0 JIADMO CSc1ncc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749155 720906940 /nfs/dbraw/zinc/90/69/40/720906940.db2.gz HZWKHEGETWGZDH-WMZHIEFXSA-N 1 1 460.047 4.002 20 0 JIADMO COc1ccc(-c2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164750715 720911097 /nfs/dbraw/zinc/91/10/97/720911097.db2.gz KDOFMIAVNIHLCX-IRPSRAIASA-N 1 1 485.632 4.302 20 0 JIADMO Cc1nc(-c2ccncc2)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164755048 720922867 /nfs/dbraw/zinc/92/28/67/720922867.db2.gz XZIFKGKOUDXVLH-LITSAYRRSA-N 1 1 484.648 4.306 20 0 JIADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cncc(OCC4CCCC4)n2)C3)c1 ZINC001164748461 720934073 /nfs/dbraw/zinc/93/40/73/720934073.db2.gz GEQOWLFOAFUQLA-NAKRPHOHSA-N 1 1 477.653 4.196 20 0 JIADMO CCc1nc(Cl)nc(Cl)c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164746487 720934496 /nfs/dbraw/zinc/93/44/96/720934496.db2.gz AYQPWWIOJCEZNO-NTKDMRAZSA-N 1 1 476.452 4.496 20 0 JIADMO Fc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1-c1ccsc1 ZINC001164754693 720934666 /nfs/dbraw/zinc/93/46/66/720934666.db2.gz XLSWNUHPSVTLCQ-ATIYNZHBSA-N 1 1 479.625 4.494 20 0 JIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)[C@H]2C ZINC001164859855 720935178 /nfs/dbraw/zinc/93/51/78/720935178.db2.gz NYNNHHSMFPHYOJ-IBGZPJMESA-N 1 1 480.060 4.306 20 0 JIADMO CCc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)nc1C ZINC001164748430 720936394 /nfs/dbraw/zinc/93/63/94/720936394.db2.gz GBKIGUNVAKHIIM-SQJMNOBHSA-N 1 1 456.034 4.151 20 0 JIADMO CCc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)nc1C ZINC001164748424 720936728 /nfs/dbraw/zinc/93/67/28/720936728.db2.gz GBKIGUNVAKHIIM-BWKNWUBXSA-N 1 1 456.034 4.151 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](OCc4cccnc4)[C@H]4COC[C@H]43)c2c1C ZINC001164762666 721008532 /nfs/dbraw/zinc/00/85/32/721008532.db2.gz WFTDKYMKKUDFBT-BDTNDASRSA-N 1 1 479.650 4.109 20 0 JIADMO Clc1cc2nc(Cl)c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2cc1Cl ZINC001164866053 721069109 /nfs/dbraw/zinc/06/91/09/721069109.db2.gz CCYRNMZRNMZBLU-CABCVRRESA-N 1 1 464.784 4.465 20 0 JIADMO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164864254 721082120 /nfs/dbraw/zinc/08/21/20/721082120.db2.gz FEVZZIAPXOUSFL-LOSJGSFVSA-N 1 1 464.573 4.080 20 0 JIADMO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)cc1 ZINC001164770456 721099399 /nfs/dbraw/zinc/09/93/99/721099399.db2.gz QHRQIXWLHBVHMR-SFTDATJTSA-N 1 1 472.568 4.136 20 0 JIADMO Fc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164878379 721144965 /nfs/dbraw/zinc/14/49/65/721144965.db2.gz PXKXQSKEZLFEPM-XZOQPEGZSA-N 1 1 455.537 4.311 20 0 JIADMO Fc1ccc(-c2nnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164880726 721145197 /nfs/dbraw/zinc/14/51/97/721145197.db2.gz XIMAEENIZGEQLE-DHIUTWEWSA-N 1 1 455.537 4.311 20 0 JIADMO Fc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164878363 721145500 /nfs/dbraw/zinc/14/55/00/721145500.db2.gz PXKXQSKEZLFEPM-DHIUTWEWSA-N 1 1 455.537 4.311 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C[C@H]3C2)cn1 ZINC001164761236 721189623 /nfs/dbraw/zinc/18/96/23/721189623.db2.gz AINKDCSJJFEGPN-CHWSQXEVSA-N 1 1 450.748 4.279 20 0 JIADMO Fc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164868203 721193519 /nfs/dbraw/zinc/19/35/19/721193519.db2.gz KXTMFQGWIZLCES-WOJBJXKFSA-N 1 1 489.929 4.356 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nnc(-c5ccc(F)c(F)c5)c5ccccc54)C[C@H]3C2)cn1 ZINC001164774368 721197331 /nfs/dbraw/zinc/19/73/31/721197331.db2.gz YPYSVSUEOXBAJD-VQTJNVASSA-N 1 1 460.532 4.267 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C[C@@H]3C2)cn1 ZINC001164770954 721226608 /nfs/dbraw/zinc/22/66/08/721226608.db2.gz PIZNXGHKXPZWMT-OALUTQOASA-N 1 1 458.944 4.034 20 0 JIADMO CCN1C(C)=N[C@@]2(CC[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]32)C1=O ZINC001164873094 721232335 /nfs/dbraw/zinc/23/23/35/721232335.db2.gz PNMGCJVIQUSNGT-CPLYKCMESA-N 1 1 492.693 4.031 20 0 JIADMO O=C(NC[C@@H]1CCC[C@@]2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)O1)c1ccccc1 ZINC001164874292 721257160 /nfs/dbraw/zinc/25/71/60/721257160.db2.gz KCEXTDPAZLEWJB-NVQXNPDNSA-N 1 1 469.029 4.279 20 0 JIADMO F[C@@]1(N2CC3(C2)CC[N@@H+](CC2CC2)C3)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164773098 721291372 /nfs/dbraw/zinc/29/13/72/721291372.db2.gz NAYLEELMPAAYOQ-XMMPIXPASA-N 1 1 476.427 4.339 20 0 JIADMO O=C(c1ccsc1)N1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164879187 721296544 /nfs/dbraw/zinc/29/65/44/721296544.db2.gz WKRCGCOTTLLMJQ-ZEQKJWHPSA-N 1 1 488.657 4.069 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4sc(C)c(C)c43)C2)C1 ZINC001164776315 721349609 /nfs/dbraw/zinc/34/96/09/721349609.db2.gz AQJLNHAVZXNDSK-DEOSSOPVSA-N 1 1 455.628 4.340 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C)cc(Cl)n3)C2)C1 ZINC001164782257 721354678 /nfs/dbraw/zinc/35/46/78/721354678.db2.gz LTNPKPARBRPKGU-NRFANRHFSA-N 1 1 454.949 4.312 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C)cc(Cl)n3)C2)C1 ZINC001164782257 721354682 /nfs/dbraw/zinc/35/46/82/721354682.db2.gz LTNPKPARBRPKGU-NRFANRHFSA-N 1 1 454.949 4.312 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(Cc4ccccc4)n3)C2)C1 ZINC001164786031 721360703 /nfs/dbraw/zinc/36/07/03/721360703.db2.gz UVXGMQBLDPZVPK-AREMUKBSSA-N 1 1 482.028 4.445 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(Cc4ccccc4)n3)C2)C1 ZINC001164786031 721360706 /nfs/dbraw/zinc/36/07/06/721360706.db2.gz UVXGMQBLDPZVPK-AREMUKBSSA-N 1 1 482.028 4.445 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C2)C1 ZINC001164785219 721362833 /nfs/dbraw/zinc/36/28/33/721362833.db2.gz SPAKZIFCGLZTKL-HXUWFJFHSA-N 1 1 490.382 4.138 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)C2)C1 ZINC001164785219 721362837 /nfs/dbraw/zinc/36/28/37/721362837.db2.gz SPAKZIFCGLZTKL-HXUWFJFHSA-N 1 1 490.382 4.138 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)OCc4ccccc4)cn3)C2)C1 ZINC001164783801 721369075 /nfs/dbraw/zinc/36/90/75/721369075.db2.gz PMPDAROCDAFPER-MUUNZHRXSA-N 1 1 490.604 4.162 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C(=O)OCc4ccccc4)cn3)C2)C1 ZINC001164783801 721369079 /nfs/dbraw/zinc/36/90/79/721369079.db2.gz PMPDAROCDAFPER-MUUNZHRXSA-N 1 1 490.604 4.162 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(SCc4ccccc4)ncn3)C2)C1 ZINC001164782262 721371310 /nfs/dbraw/zinc/37/13/10/721371310.db2.gz LVMXALNTVBDGCU-SANMLTNESA-N 1 1 479.650 4.493 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(SCc4ccccc4)ncn3)C2)C1 ZINC001164782262 721371312 /nfs/dbraw/zinc/37/13/12/721371312.db2.gz LVMXALNTVBDGCU-SANMLTNESA-N 1 1 479.650 4.493 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5cc(Cl)c(Cl)cc5nc4Cl)C3)O2)CC1 ZINC001164894443 721398417 /nfs/dbraw/zinc/39/84/17/721398417.db2.gz YBQXNFZACRDESC-NYHFZMIOSA-N 1 1 484.859 4.355 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cccc5c(Cl)nccc54)C3)O2)CC1 ZINC001164897841 721426086 /nfs/dbraw/zinc/42/60/86/721426086.db2.gz UUKFGADQZKPJFH-JPYJTQIMSA-N 1 1 464.988 4.199 20 0 JIADMO c1csc(C[N@H+]2C[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)C[C@H]3C2)n1 ZINC001164786759 721426337 /nfs/dbraw/zinc/42/63/37/721426337.db2.gz PKEPSNUCDCTXPZ-CALCHBBNSA-N 1 1 460.632 4.267 20 0 JIADMO c1csc(C[N@@H+]2C[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)C[C@H]3C2)n1 ZINC001164786759 721426340 /nfs/dbraw/zinc/42/63/40/721426340.db2.gz PKEPSNUCDCTXPZ-CALCHBBNSA-N 1 1 460.632 4.267 20 0 JIADMO c1csc(C[NH+]2C[C@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)C[C@@H]3C2)n1 ZINC001164781333 721426780 /nfs/dbraw/zinc/42/67/80/721426780.db2.gz DERNTMJLQSLSPC-ROUUACIJSA-N 1 1 480.707 4.191 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(-c5cccs5)nnc4Cl)C3)O2)CC1 ZINC001164895762 721436715 /nfs/dbraw/zinc/43/67/15/721436715.db2.gz PGUWSDHUKSXSKX-VGOFRKELSA-N 1 1 498.043 4.169 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(-c5ccccc5)nnc4Cl)C3)O2)CC1 ZINC001164897615 721436724 /nfs/dbraw/zinc/43/67/24/721436724.db2.gz UIUYLUHWAKRTLL-YKSBVNFPSA-N 1 1 492.014 4.107 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5cccc6ccccc65)nn4)C3)O2)CC1 ZINC001164897700 721441353 /nfs/dbraw/zinc/44/13/53/721441353.db2.gz ULFGWRAGAHQOGV-QDPGVEIFSA-N 1 1 457.622 4.062 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)C3)O2)CC1 ZINC001164895771 721443681 /nfs/dbraw/zinc/44/36/81/721443681.db2.gz PHXLHWQZEFCRNH-ZJSXRUAMSA-N 1 1 492.014 4.107 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc(-c5ccc(F)c(Cl)c5)n4)C3)O2)CC1 ZINC001164896169 721445745 /nfs/dbraw/zinc/44/57/45/721445745.db2.gz QTWUHQDZGYDNSI-HOYKHHGWSA-N 1 1 494.442 4.355 20 0 JIADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164884915 721447167 /nfs/dbraw/zinc/44/71/67/721447167.db2.gz CKTPGVCWCLCXEJ-MHECFPHRSA-N 1 1 464.988 4.240 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(COC)nc(-c3ccccc3)n1)CC2 ZINC001164783260 721452094 /nfs/dbraw/zinc/45/20/94/721452094.db2.gz AUYXLXFQBYGFQF-VWLOTQADSA-N 1 1 480.653 4.024 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc(OC)nc1Cl)CC2 ZINC001164783547 721458824 /nfs/dbraw/zinc/45/88/24/721458824.db2.gz DJMJUMAKBJHLPE-SFHVURJKSA-N 1 1 473.992 4.022 20 0 JIADMO CCOC(=O)c1cc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc2ccccc21 ZINC001164787836 721458891 /nfs/dbraw/zinc/45/88/91/721458891.db2.gz SPEHHGJEQXCJGS-JOCHJYFZSA-N 1 1 481.637 4.145 20 0 JIADMO CCOC(=O)c1cc2c(N3CCC4(C[C@@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)[nH]c(C)c(C)c-2n1 ZINC001164788558 721462509 /nfs/dbraw/zinc/46/25/09/721462509.db2.gz TXNPTPNMALRVJP-QFIPXVFZSA-N 1 1 498.668 4.090 20 0 JIADMO CC(C)C(=O)N1CC[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC[C@H]21 ZINC001164895012 721465290 /nfs/dbraw/zinc/46/52/90/721465290.db2.gz YVSCSAOKJLKEDB-AZUAARDMSA-N 1 1 467.683 4.249 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc3sc4c(c31)CCC4)CC2 ZINC001164790127 721465684 /nfs/dbraw/zinc/46/56/84/721465684.db2.gz REPKNLAGEKBJCM-HXUWFJFHSA-N 1 1 470.683 4.222 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3ccc(F)cc3)ncn1)CC2 ZINC001164787446 721467973 /nfs/dbraw/zinc/46/79/73/721467973.db2.gz FXVZFFAYEQMRTQ-HSZRJFAPSA-N 1 1 454.590 4.017 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(-c3ccncc3)nc3sccc31)CC2 ZINC001164790589 721470918 /nfs/dbraw/zinc/47/09/18/721470918.db2.gz RQQKYLFVNVOMOX-QFIPXVFZSA-N 1 1 493.677 4.487 20 0 JIADMO CCOC[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)Cc2cnn(C)c21 ZINC001164792821 721477683 /nfs/dbraw/zinc/47/76/83/721477683.db2.gz PVVHWBOJKVENAD-IBGZPJMESA-N 1 1 454.644 4.168 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3COC[C@]3(COc3ncccc3F)C2)n1 ZINC001164793952 721487703 /nfs/dbraw/zinc/48/77/03/721487703.db2.gz YRMYEWHFSDVJOA-BVZFJXPGSA-N 1 1 485.629 4.216 20 0 JIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)CC2 ZINC001164796785 721500824 /nfs/dbraw/zinc/50/08/24/721500824.db2.gz XNJAFTDZKKVTKP-UHFFFAOYSA-N 1 1 457.578 4.191 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)n1 ZINC001164895255 721501654 /nfs/dbraw/zinc/50/16/54/721501654.db2.gz BIZCLVDAEZFBNB-HXUWFJFHSA-N 1 1 487.714 4.298 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1Cl ZINC001164897614 721523118 /nfs/dbraw/zinc/52/31/18/721523118.db2.gz GCVLZFBZZPLSJI-GDBMZVCRSA-N 1 1 454.329 4.046 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1Cl ZINC001164897614 721523123 /nfs/dbraw/zinc/52/31/23/721523123.db2.gz GCVLZFBZZPLSJI-GDBMZVCRSA-N 1 1 454.329 4.046 20 0 JIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)CC[N@H+]3C2)c1 ZINC001164900300 721523591 /nfs/dbraw/zinc/52/35/91/721523591.db2.gz PYDFQUVJIQEOHC-CTNGQTDRSA-N 1 1 478.959 4.009 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164799089 721551574 /nfs/dbraw/zinc/55/15/74/721551574.db2.gz ASGRFVHFRMGERC-AQNXPRMDSA-N 1 1 477.918 4.230 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164799089 721551575 /nfs/dbraw/zinc/55/15/75/721551575.db2.gz ASGRFVHFRMGERC-AQNXPRMDSA-N 1 1 477.918 4.230 20 0 JIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)CC[N@H+]3C2)c1 ZINC001164905425 721555194 /nfs/dbraw/zinc/55/51/94/721555194.db2.gz HLGOKLXLHRQNIC-NVXWUHKLSA-N 1 1 464.875 4.416 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3cnc(Cl)nc3c2)[C@@H]2CCCO[C@H]12 ZINC001164798658 721563745 /nfs/dbraw/zinc/56/37/45/721563745.db2.gz BVVHPUZYGLRLOK-NJYVYQBISA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3cnc(Cl)nc3c2)[C@@H]2CCCO[C@H]12 ZINC001164798658 721563746 /nfs/dbraw/zinc/56/37/46/721563746.db2.gz BVVHPUZYGLRLOK-NJYVYQBISA-N 1 1 459.928 4.091 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(C[C@H]5C(=O)N(C)C)CC4)c32)C1 ZINC001164901564 721570527 /nfs/dbraw/zinc/57/05/27/721570527.db2.gz GCSLZQKCLZCEEZ-MJGOQNOKSA-N 1 1 467.683 4.107 20 0 JIADMO CSc1ccc(Oc2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)ncn2)cc1 ZINC001164799651 721571355 /nfs/dbraw/zinc/57/13/55/721571355.db2.gz DACXLZXXYASIBQ-WRALFONMSA-N 1 1 463.607 4.254 20 0 JIADMO CSc1ccc(Oc2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)ncn2)cc1 ZINC001164799651 721571356 /nfs/dbraw/zinc/57/13/56/721571356.db2.gz DACXLZXXYASIBQ-WRALFONMSA-N 1 1 463.607 4.254 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)ccc2-c2ccc(Cl)nn2)[C@@H]2CCCO[C@H]12 ZINC001164804345 721583541 /nfs/dbraw/zinc/58/35/41/721583541.db2.gz JQJUXDHEJUJDBK-BKULYWANSA-N 1 1 453.949 4.199 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)[C@H]2CCCO[C@@H]12 ZINC001164800719 721584578 /nfs/dbraw/zinc/58/45/78/721584578.db2.gz CNRUNIKTBCTFKJ-AICRDVKUSA-N 1 1 483.975 4.188 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)[C@H]2CCCO[C@@H]12 ZINC001164800719 721584581 /nfs/dbraw/zinc/58/45/81/721584581.db2.gz CNRUNIKTBCTFKJ-AICRDVKUSA-N 1 1 483.975 4.188 20 0 JIADMO FC1(F)CCN(c2nc(Cl)nc3c2CSCC3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164903622 721586791 /nfs/dbraw/zinc/58/67/91/721586791.db2.gz AWANPFPGBLYLKT-HXUWFJFHSA-N 1 1 451.974 4.052 20 0 JIADMO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164802598 721589663 /nfs/dbraw/zinc/58/96/63/721589663.db2.gz GZTNTFRPSJDQAJ-IEIRFRATSA-N 1 1 465.985 4.494 20 0 JIADMO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164802598 721589664 /nfs/dbraw/zinc/58/96/64/721589664.db2.gz GZTNTFRPSJDQAJ-IEIRFRATSA-N 1 1 465.985 4.494 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164811902 721589810 /nfs/dbraw/zinc/58/98/10/721589810.db2.gz ZADYUSOSUHVIEZ-KSEOMHKRSA-N 1 1 451.958 4.186 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164811902 721589813 /nfs/dbraw/zinc/58/98/13/721589813.db2.gz ZADYUSOSUHVIEZ-KSEOMHKRSA-N 1 1 451.958 4.186 20 0 JIADMO COc1cc2c(cc1F)cc(Cl)nc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164810145 721592158 /nfs/dbraw/zinc/59/21/58/721592158.db2.gz UPNRCTGWYNKRPY-JTAQYXEDSA-N 1 1 456.949 4.299 20 0 JIADMO COC(=O)c1ccc2nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ccc2c1 ZINC001164905380 721700598 /nfs/dbraw/zinc/70/05/98/721700598.db2.gz ITCSDWZNDFOXSO-DEOSSOPVSA-N 1 1 452.505 4.154 20 0 JIADMO FC1(F)CCN(c2nccc(OCc3ccccc3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904940 721704078 /nfs/dbraw/zinc/70/40/78/721704078.db2.gz FRMLBFFGMUULMY-XMMPIXPASA-N 1 1 451.521 4.188 20 0 JIADMO FC1(F)CCN(c2cnc(OCc3ccccc3)cn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906565 721716828 /nfs/dbraw/zinc/71/68/28/721716828.db2.gz MVJYHYZESCZPET-XMMPIXPASA-N 1 1 451.521 4.188 20 0 JIADMO FC1(F)CCN(c2cnc(OCc3ccccc3)cn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906563 721717735 /nfs/dbraw/zinc/71/77/35/721717735.db2.gz MVJYHYZESCZPET-DEOSSOPVSA-N 1 1 451.521 4.188 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)C2 ZINC001164907871 721748505 /nfs/dbraw/zinc/74/85/05/721748505.db2.gz BXVMWWQMIACKPB-UHFFFAOYSA-N 1 1 488.970 4.458 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)C2 ZINC001164907871 721748512 /nfs/dbraw/zinc/74/85/12/721748512.db2.gz BXVMWWQMIACKPB-UHFFFAOYSA-N 1 1 488.970 4.458 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@H](C(=O)NCCc4ccncc4)[C@@H]3C2)nc1 ZINC001165012571 721754454 /nfs/dbraw/zinc/75/44/54/721754454.db2.gz FDFKBPYUBSVTCF-NFGXINMFSA-N 1 1 491.680 4.004 20 0 JIADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164909021 721756549 /nfs/dbraw/zinc/75/65/49/721756549.db2.gz CTEMJXJKZBPQDY-UHFFFAOYSA-N 1 1 468.001 4.400 20 0 JIADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164909021 721756552 /nfs/dbraw/zinc/75/65/52/721756552.db2.gz CTEMJXJKZBPQDY-UHFFFAOYSA-N 1 1 468.001 4.400 20 0 JIADMO 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4.176 20 0 JIADMO CS[C@H](C)Cn1c(COc2ccc(C)cc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001316389483 1066162005 /nfs/dbraw/zinc/16/20/05/1066162005.db2.gz YRLZABSQCBBNPZ-TYBLODHISA-N 1 1 497.713 4.170 20 0 JIADMO CS[C@@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)C(C)(C)C ZINC001316397146 1066174715 /nfs/dbraw/zinc/17/47/15/1066174715.db2.gz MCBGJDHKMZJOCM-SQJMNOBHSA-N 1 1 457.688 4.332 20 0 JIADMO CS[C@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)C(C)(C)C ZINC001316397144 1066174736 /nfs/dbraw/zinc/17/47/36/1066174736.db2.gz MCBGJDHKMZJOCM-PXDATVDWSA-N 1 1 457.688 4.332 20 0 JIADMO CS[C@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)C(C)(C)C ZINC001316400362 1066177811 /nfs/dbraw/zinc/17/78/11/1066177811.db2.gz VLDSWKUEASHBKS-RBBKRZOGSA-N 1 1 457.688 4.190 20 0 JIADMO COc1cccc(N2CCC(NC(=O)N3CCC[N@H+](Cc4ccc(Cl)cc4)CC3)CC2)c1 ZINC001324575771 1066223329 /nfs/dbraw/zinc/22/33/29/1066223329.db2.gz GBVMUZXHYIBGFB-UHFFFAOYSA-N 1 1 457.018 4.235 20 0 JIADMO COc1cccc(N2CCC(NC(=O)N3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)CC2)c1 ZINC001324575771 1066223339 /nfs/dbraw/zinc/22/33/39/1066223339.db2.gz GBVMUZXHYIBGFB-UHFFFAOYSA-N 1 1 457.018 4.235 20 0 JIADMO CSc1ccc(F)cc1Cn1c(CC(C)C)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001316420437 1066224885 /nfs/dbraw/zinc/22/48/85/1066224885.db2.gz GPOBVUUVZQPMGY-OYRHEFFESA-N 1 1 488.721 4.381 20 0 JIADMO CSc1ccccc1CN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001316420493 1066224959 /nfs/dbraw/zinc/22/49/59/1066224959.db2.gz TUGAGYKRGSATRB-IBGZPJMESA-N 1 1 451.644 4.214 20 0 JIADMO Cc1cccc(-c2nnc(N(C)Cc3ccc(Cl)c(F)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC001492499326 1066246520 /nfs/dbraw/zinc/24/65/20/1066246520.db2.gz MGHRXTKBHXWNDA-HXUWFJFHSA-N 1 1 487.023 4.314 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001316427725 1066253156 /nfs/dbraw/zinc/25/31/56/1066253156.db2.gz UZFBFVSOTQDJBR-ACIOBRDBSA-N 1 1 457.688 4.415 20 0 JIADMO 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C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC001332854134 1066379587 /nfs/dbraw/zinc/37/95/87/1066379587.db2.gz VCCOZSSWCXTTAK-OFNKIYASSA-N 1 1 478.662 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC001333167494 1066384906 /nfs/dbraw/zinc/38/49/06/1066384906.db2.gz MZZCSDQOGJJGJB-IRLDBZIGSA-N 1 1 481.000 4.173 20 0 JIADMO Cc1cccc(-c2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001492520825 1066387390 /nfs/dbraw/zinc/38/73/90/1066387390.db2.gz WAIMLAGRMHLIOQ-SANMLTNESA-N 1 1 454.663 4.412 20 0 JIADMO Cc1cccc([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CC3CCN(CC[NH+](C)C)CC3)C2)c1 ZINC001492523944 1066396104 /nfs/dbraw/zinc/39/61/04/1066396104.db2.gz CCJBVJXFWUQBFY-RUZDIDTESA-N 1 1 466.718 4.443 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCOC3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001316503153 1066467250 /nfs/dbraw/zinc/46/72/50/1066467250.db2.gz MNOXUVRMGZFXMU-UJMXGEILSA-N 1 1 473.584 4.011 20 0 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JIADMO FC(F)Oc1cccc(-c2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CC(F)(F)Br)c1 ZINC001316519258 1066522399 /nfs/dbraw/zinc/52/23/99/1066522399.db2.gz CGOUSTXXULIFGS-AWEZNQCLSA-N 1 1 492.315 4.209 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)C1 ZINC001337983286 1066523570 /nfs/dbraw/zinc/52/35/70/1066523570.db2.gz UDJUHQBELABKGU-KRWDZBQOSA-N 1 1 484.449 4.185 20 0 JIADMO COc1ccc(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccccc1 ZINC001338060987 1066528437 /nfs/dbraw/zinc/52/84/37/1066528437.db2.gz RIOOCJUHLBWYCZ-UHFFFAOYSA-N 1 1 453.583 4.035 20 0 JIADMO O=C(c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001338090544 1066529719 /nfs/dbraw/zinc/52/97/19/1066529719.db2.gz XPEYGBOBLBRDLK-HNNXBMFYSA-N 1 1 452.908 4.344 20 0 JIADMO Fc1cccc(C[NH+]2CCN(c3nnc(-c4cccnc4)n3CCSC(F)(F)F)CC2)c1 ZINC001316524490 1066536499 /nfs/dbraw/zinc/53/64/99/1066536499.db2.gz OPQWVELMLVMFMV-UHFFFAOYSA-N 1 1 466.508 4.054 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001338430827 1066554695 /nfs/dbraw/zinc/55/46/95/1066554695.db2.gz TYSFAFITGMMEPM-INIZCTEOSA-N 1 1 496.409 4.303 20 0 JIADMO Cc1cccc(NC2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C(C)C)[NH+]3CCOCC3)CC2)c1 ZINC001492535989 1066586694 /nfs/dbraw/zinc/58/66/94/1066586694.db2.gz GFORKXJPTKAJCE-DEOSSOPVSA-N 1 1 468.690 4.322 20 0 JIADMO Cc1cc(-c2cc(C(=O)OC[C@@H]3C[N@@H+](CC(C)C)CCO3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC001341820923 1066589847 /nfs/dbraw/zinc/58/98/47/1066589847.db2.gz KUSAAJVRUUEAJT-IBGZPJMESA-N 1 1 454.571 4.403 20 0 JIADMO OCCCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001316592056 1066623996 /nfs/dbraw/zinc/62/39/96/1066623996.db2.gz UMUQFEMKLIMSNM-LJQANCHMSA-N 1 1 482.119 4.014 20 0 JIADMO OCCCSCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001316592054 1066624010 /nfs/dbraw/zinc/62/40/10/1066624010.db2.gz UMUQFEMKLIMSNM-IBGZPJMESA-N 1 1 482.119 4.014 20 0 JIADMO Cc1cccc([C@H](Cn2c(-c3cccnc3)nnc2N(C)CCC(F)(F)F)[NH+]2CCOCC2)c1 ZINC001492479963 1066625736 /nfs/dbraw/zinc/62/57/36/1066625736.db2.gz ITCVEKLLYSMTSV-NRFANRHFSA-N 1 1 474.531 4.111 20 0 JIADMO Cc1cccc(OCc2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCCC(C)(C)C)c1 ZINC001492539420 1066625828 /nfs/dbraw/zinc/62/58/28/1066625828.db2.gz COASILFBYMEQFD-GMAHTHKFSA-N 1 1 455.647 4.149 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[C@H](CC(C)C)C3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001492542299 1066655579 /nfs/dbraw/zinc/65/55/79/1066655579.db2.gz VYFAKJIDCVDEGJ-JOCHJYFZSA-N 1 1 455.647 4.149 20 0 JIADMO CCOc1ccc(C[N@H+](C)CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1OC ZINC001317736275 1066656244 /nfs/dbraw/zinc/65/62/44/1066656244.db2.gz YYGZLKSZALMSIF-OAQYLSRUSA-N 1 1 454.567 4.051 20 0 JIADMO CCOc1ccc(C[N@@H+](C)CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1OC ZINC001317736275 1066656256 /nfs/dbraw/zinc/65/62/56/1066656256.db2.gz YYGZLKSZALMSIF-OAQYLSRUSA-N 1 1 454.567 4.051 20 0 JIADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC001317798658 1066695454 /nfs/dbraw/zinc/69/54/54/1066695454.db2.gz OMDOLUCFBWVVEB-KRWDZBQOSA-N 1 1 450.004 4.135 20 0 JIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(Br)cnc1Br ZINC001348114199 1066721984 /nfs/dbraw/zinc/72/19/84/1066721984.db2.gz ZGZRJOYOKKMPAF-CQSZACIVSA-N 1 1 457.166 4.157 20 0 JIADMO CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC001348123677 1066722602 /nfs/dbraw/zinc/72/26/02/1066722602.db2.gz RIXAXWDDRMEQAJ-UHFFFAOYSA-N 1 1 450.023 4.480 20 0 JIADMO COc1ccccc1[C@H](CNC(=O)Nc1ccc(N2CCN(C)CC2)c(C)c1)[NH+]1CCCCC1 ZINC001317896687 1066767498 /nfs/dbraw/zinc/76/74/98/1066767498.db2.gz GVIHICUNGXFHFA-VWLOTQADSA-N 1 1 465.642 4.104 20 0 JIADMO Cc1cnn(-c2ccc(NC(=O)Nc3ccc4c(ccn4CC[NH+]4CCOCC4)c3)cc2F)c1 ZINC001348898688 1066787123 /nfs/dbraw/zinc/78/71/23/1066787123.db2.gz ISKPDYQQPALSCY-UHFFFAOYSA-N 1 1 462.529 4.251 20 0 JIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC001317927142 1066790688 /nfs/dbraw/zinc/79/06/88/1066790688.db2.gz GFWPQRRXMDGQBA-IBGZPJMESA-N 1 1 458.562 4.344 20 0 JIADMO CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)nc1 ZINC001317930148 1066792602 /nfs/dbraw/zinc/79/26/02/1066792602.db2.gz SPJCVKILPDXZNX-UHFFFAOYSA-N 1 1 464.635 4.318 20 0 JIADMO CCCCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC001349116956 1066810946 /nfs/dbraw/zinc/81/09/46/1066810946.db2.gz LOXYWCOMMZBIRG-XMMPIXPASA-N 1 1 457.640 4.409 20 0 JIADMO CCCCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)cc1 ZINC001349116956 1066810950 /nfs/dbraw/zinc/81/09/50/1066810950.db2.gz LOXYWCOMMZBIRG-XMMPIXPASA-N 1 1 457.640 4.409 20 0 JIADMO CN1C(=O)C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)[C@H]1c1cccc(F)c1 ZINC001349160498 1066815761 /nfs/dbraw/zinc/81/57/61/1066815761.db2.gz GIQULFYGLTZPRD-JTHBVZDNSA-N 1 1 477.502 4.098 20 0 JIADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001318006410 1066847338 /nfs/dbraw/zinc/84/73/38/1066847338.db2.gz WCKNIRSTKZCXBU-FQEVSTJZSA-N 1 1 481.044 4.318 20 0 JIADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(C)c3ccccc31)CC2 ZINC001318018544 1066854877 /nfs/dbraw/zinc/85/48/77/1066854877.db2.gz DTSFZTOYAOPKFT-HSZRJFAPSA-N 1 1 485.584 4.351 20 0 JIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(C)c3ccccc31)CC2 ZINC001318018544 1066854881 /nfs/dbraw/zinc/85/48/81/1066854881.db2.gz DTSFZTOYAOPKFT-HSZRJFAPSA-N 1 1 485.584 4.351 20 0 JIADMO O=C(c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001318026194 1066858568 /nfs/dbraw/zinc/85/85/68/1066858568.db2.gz HUAXUHNLVWUAIX-UHFFFAOYSA-N 1 1 487.526 4.025 20 0 JIADMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001318027313 1066859094 /nfs/dbraw/zinc/85/90/94/1066859094.db2.gz BLOXSIJXHUPGAW-GOSISDBHSA-N 1 1 487.526 4.093 20 0 JIADMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001318027313 1066859096 /nfs/dbraw/zinc/85/90/96/1066859096.db2.gz BLOXSIJXHUPGAW-GOSISDBHSA-N 1 1 487.526 4.093 20 0 JIADMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001349672476 1066870346 /nfs/dbraw/zinc/87/03/46/1066870346.db2.gz BKLRZVYJEBTXQE-UHFFFAOYSA-N 1 1 451.592 4.130 20 0 JIADMO O=C(c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318061821 1066878893 /nfs/dbraw/zinc/87/88/93/1066878893.db2.gz RBXIUHUIXVJOJQ-QHCPKHFHSA-N 1 1 451.574 4.457 20 0 JIADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCCNC(=O)c2ccc(C)c(F)c2)c1 ZINC001349739234 1066878896 /nfs/dbraw/zinc/87/88/96/1066878896.db2.gz NUWZEUKOEBTSIK-IZZNHLLZSA-N 1 1 473.592 4.204 20 0 JIADMO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC001318072342 1066884153 /nfs/dbraw/zinc/88/41/53/1066884153.db2.gz ITKYFWJNKGPQOU-UHFFFAOYSA-N 1 1 457.625 4.390 20 0 JIADMO O=C(COc1cc(-c2ccccc2)sc1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC001318074382 1066886413 /nfs/dbraw/zinc/88/64/13/1066886413.db2.gz PCNJZIUXAADKMM-OAQYLSRUSA-N 1 1 467.635 4.117 20 0 JIADMO O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1ccc2ccccc2c1 ZINC001318103082 1066900398 /nfs/dbraw/zinc/90/03/98/1066900398.db2.gz QKOVRMORAMUUFL-LBNVMWSVSA-N 1 1 480.612 4.359 20 0 JIADMO O=C(c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318103208 1066900777 /nfs/dbraw/zinc/90/07/77/1066900777.db2.gz VRLOBZXHUHCJPO-KRWDZBQOSA-N 1 1 461.513 4.325 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(NC(=O)c4cccnc4)cc3)CC2)cc1 ZINC001318131844 1066914895 /nfs/dbraw/zinc/91/48/95/1066914895.db2.gz FOOTXLZKSXUOAJ-UHFFFAOYSA-N 1 1 457.578 4.060 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCN(C(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001492547189 1066916560 /nfs/dbraw/zinc/91/65/60/1066916560.db2.gz QPVGBYAICSDCOW-WNCULLNHSA-N 1 1 468.690 4.206 20 0 JIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC001318142823 1066922288 /nfs/dbraw/zinc/92/22/88/1066922288.db2.gz DFQQASCCRCEAJE-PMACEKPBSA-N 1 1 467.610 4.251 20 0 JIADMO C[NH+]1CCN(c2ccc(NC(=O)c3cnc4scc(-c5ccccc5)n4c3=O)cc2Cl)CC1 ZINC001318161880 1066931929 /nfs/dbraw/zinc/93/19/29/1066931929.db2.gz WMVQUBFWHDBMBX-UHFFFAOYSA-N 1 1 479.993 4.081 20 0 JIADMO C[C@H](C(=O)Nc1cccc(I)c1)[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001318188224 1066947831 /nfs/dbraw/zinc/94/78/31/1066947831.db2.gz RNLUQRFMVOKPBM-JLTOFOAXSA-N 1 1 489.357 4.066 20 0 JIADMO COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318230108 1066973966 /nfs/dbraw/zinc/97/39/66/1066973966.db2.gz SRMWGRZHWFOHSS-INIZCTEOSA-N 1 1 452.580 4.455 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001492548239 1066989891 /nfs/dbraw/zinc/98/98/91/1066989891.db2.gz WAONXJNUSGZNRA-HSZRJFAPSA-N 1 1 455.647 4.149 20 0 JIADMO Cc1cc(C(=O)N2CC[NH+](CCCc3nc(-c4ccc(C)cc4)no3)CC2)c(C)n1CC1CC1 ZINC001318317242 1067014177 /nfs/dbraw/zinc/01/41/77/1067014177.db2.gz FAJWVIWLFXWLPK-UHFFFAOYSA-N 1 1 461.610 4.264 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCOC[C@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001300686799 1067029657 /nfs/dbraw/zinc/02/96/57/1067029657.db2.gz JYKSGDREJSUFIO-LJQANCHMSA-N 1 1 459.660 4.069 20 0 JIADMO CNC(=O)c1ccc(OC)c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001354672769 1067036226 /nfs/dbraw/zinc/03/62/26/1067036226.db2.gz MLJCPHHBWNKEKB-QDPGVEIFSA-N 1 1 457.574 4.083 20 0 JIADMO Cc1cc(N2CCC(NC(=O)[C@H](CC3CCCCC3)NC(=O)OC(C)(C)C)CC2)nc(C)[nH+]1 ZINC001354695235 1067048575 /nfs/dbraw/zinc/04/85/75/1067048575.db2.gz IXXVZXSORNXOFN-NRFANRHFSA-N 1 1 459.635 4.042 20 0 JIADMO Cc1cc(N2CCC(NC(=O)[C@@H](CC3CCCCC3)NC(=O)OC(C)(C)C)CC2)nc(C)[nH+]1 ZINC001354695245 1067048708 /nfs/dbraw/zinc/04/87/08/1067048708.db2.gz IXXVZXSORNXOFN-OAQYLSRUSA-N 1 1 459.635 4.042 20 0 JIADMO 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 1067068036 /nfs/dbraw/zinc/06/80/36/1067068036.db2.gz YDSGGZJEURPWPQ-BJUWEZRKSA-N 1 1 457.977 4.025 20 0 JIADMO COc1ncccc1Cn1c(Cc2ccccc2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300710358 1067083338 /nfs/dbraw/zinc/08/33/38/1067083338.db2.gz CDFSSFZCLLKUSL-UHFFFAOYSA-N 1 1 462.642 4.186 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC001200780521 1067092695 /nfs/dbraw/zinc/09/26/95/1067092695.db2.gz DZYLJNFRXHYRPW-BETUJISGSA-N 1 1 457.415 4.219 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC001200780521 1067092711 /nfs/dbraw/zinc/09/27/11/1067092711.db2.gz DZYLJNFRXHYRPW-BETUJISGSA-N 1 1 457.415 4.219 20 0 JIADMO O=C(NCc1ccc(-n2cnc3ccccc32)nc1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001321288401 1067104775 /nfs/dbraw/zinc/10/47/75/1067104775.db2.gz LHEXUIUJCOFZEU-VWLOTQADSA-N 1 1 479.506 4.491 20 0 JIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001351528215 1067118412 /nfs/dbraw/zinc/11/84/12/1067118412.db2.gz KEBLLMSUTGANNL-TVTNDZMWSA-N 1 1 455.521 4.128 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3ccc(OCc4ccccn4)c(Cl)c3)c2)CC1 ZINC001321512082 1067152037 /nfs/dbraw/zinc/15/20/37/1067152037.db2.gz ANJWLMQYWCKJCR-UHFFFAOYSA-N 1 1 480.012 4.383 20 0 JIADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)C(F)(F)c1nccs1)CC2 ZINC001351721802 1067178824 /nfs/dbraw/zinc/17/88/24/1067178824.db2.gz ZPDIPNPIAZQIPM-UHFFFAOYSA-N 1 1 459.518 4.449 20 0 JIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)C(F)(F)c1nccs1)CC2 ZINC001351721802 1067178837 /nfs/dbraw/zinc/17/88/37/1067178837.db2.gz ZPDIPNPIAZQIPM-UHFFFAOYSA-N 1 1 459.518 4.449 20 0 JIADMO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001321640252 1067186818 /nfs/dbraw/zinc/18/68/18/1067186818.db2.gz MQDUQAFCOUZEIK-UHFFFAOYSA-N 1 1 475.659 4.132 20 0 JIADMO Cc1c(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)nnn1-c1cccc2ncccc21 ZINC001321639697 1067187011 /nfs/dbraw/zinc/18/70/11/1067187011.db2.gz GHECFBGJEXIACP-UHFFFAOYSA-N 1 1 466.549 4.238 20 0 JIADMO CNC(=O)Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001321653912 1067190193 /nfs/dbraw/zinc/19/01/93/1067190193.db2.gz CZPZIJIFRXWZJF-UHFFFAOYSA-N 1 1 466.582 4.192 20 0 JIADMO CCOC(=O)C1CCC(CC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001351776990 1067203223 /nfs/dbraw/zinc/20/32/23/1067203223.db2.gz SBQDBRKKPCJPRM-UHFFFAOYSA-N 1 1 454.533 4.499 20 0 JIADMO COCCn1cc(NC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)ccc1=O ZINC001322064608 1067245581 /nfs/dbraw/zinc/24/55/81/1067245581.db2.gz XRCFDAWXPXDDQK-UHFFFAOYSA-N 1 1 487.025 4.226 20 0 JIADMO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001200810046 1067256956 /nfs/dbraw/zinc/25/69/56/1067256956.db2.gz DQQAOFUKANWETG-MSOLQXFVSA-N 1 1 451.423 4.369 20 0 JIADMO O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001351973602 1067259238 /nfs/dbraw/zinc/25/92/38/1067259238.db2.gz WYQJGAJFGCOXSY-ABQONYIQSA-N 1 1 451.998 4.079 20 0 JIADMO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001200814780 1067272415 /nfs/dbraw/zinc/27/24/15/1067272415.db2.gz QYLUCBWSPQHIPZ-XMSQKQJNSA-N 1 1 471.498 4.260 20 0 JIADMO COc1ccccc1[C@H](CNS(=O)(=O)Cc1ccc(Br)cc1F)[NH+]1CCCCC1 ZINC001322412817 1067288389 /nfs/dbraw/zinc/28/83/89/1067288389.db2.gz JYSNUYKTQMIXGN-FQEVSTJZSA-N 1 1 485.419 4.243 20 0 JIADMO O=C(c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001322567636 1067303148 /nfs/dbraw/zinc/30/31/48/1067303148.db2.gz WVTZLYMOKHDCCE-LBPRGKRZSA-N 1 1 481.828 4.269 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3nnc(-c4ccccc4)cc3C(F)(F)F)c2)C1 ZINC001322582073 1067304114 /nfs/dbraw/zinc/30/41/14/1067304114.db2.gz SGMLNUQUYRHTHD-HXUWFJFHSA-N 1 1 469.511 4.472 20 0 JIADMO NC(=O)[C@H]1CCCN(c2ccc(C(=O)NC3CC[NH+](Cc4ccc(Cl)c(Cl)c4)CC3)cc2)C1 ZINC001322599387 1067305118 /nfs/dbraw/zinc/30/51/18/1067305118.db2.gz FANUHXXZAWTVED-IBGZPJMESA-N 1 1 489.447 4.090 20 0 JIADMO O=C(CC1(CC(=O)N2CCOCC2)CCCC1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001322600009 1067305156 /nfs/dbraw/zinc/30/51/56/1067305156.db2.gz IYXCVMGVELOZLY-UHFFFAOYSA-N 1 1 496.479 4.273 20 0 JIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1nn(-c2ccccc2F)cc1Br ZINC001323089479 1067314560 /nfs/dbraw/zinc/31/45/60/1067314560.db2.gz YTROEPQAQHNKJM-SFHVURJKSA-N 1 1 461.335 4.324 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001492552755 1067319369 /nfs/dbraw/zinc/31/93/69/1067319369.db2.gz DMYOQZRVSIUIGD-QONNDPFASA-N 1 1 499.700 4.325 20 0 JIADMO CO[C@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001300771983 1067321079 /nfs/dbraw/zinc/32/10/79/1067321079.db2.gz HEAPHGAGZZPBHH-NRFANRHFSA-N 1 1 492.462 4.109 20 0 JIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001352268147 1067321311 /nfs/dbraw/zinc/32/13/11/1067321311.db2.gz KACNZQKBVCKGDO-MRXNPFEDSA-N 1 1 453.852 4.099 20 0 JIADMO CO[C@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCCn2cc[nH+]c2C)C1 ZINC001300772264 1067321839 /nfs/dbraw/zinc/32/18/39/1067321839.db2.gz IINZAYDVVVIQPB-QFIPXVFZSA-N 1 1 452.603 4.074 20 0 JIADMO 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 1067322309 /nfs/dbraw/zinc/32/23/09/1067322309.db2.gz NLDWIVNNQGVJFX-HBMCJLEFSA-N 1 1 478.641 4.439 20 0 JIADMO CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001354994211 1067324932 /nfs/dbraw/zinc/32/49/32/1067324932.db2.gz UAWPSEANEWSOKB-GKVSMKOHSA-N 1 1 450.558 4.367 20 0 JIADMO CO[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001300774001 1067326785 /nfs/dbraw/zinc/32/67/85/1067326785.db2.gz WAHAGURNVPDPPQ-RPWUZVMVSA-N 1 1 469.674 4.457 20 0 JIADMO CO[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001300774549 1067327754 /nfs/dbraw/zinc/32/77/54/1067327754.db2.gz ZBLAJENSEAFRQW-NRFANRHFSA-N 1 1 462.038 4.248 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@H](C)c3cccs3)n2CC2CCN(CC[NH+](C)C)CC2)n1 ZINC001492496343 1067330121 /nfs/dbraw/zinc/33/01/21/1067330121.db2.gz RUEKLSFLHIRJLI-HXUWFJFHSA-N 1 1 467.687 4.181 20 0 JIADMO O=C(NCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1)c1ccc(Cl)cc1 ZINC001352331620 1067333910 /nfs/dbraw/zinc/33/39/10/1067333910.db2.gz CTDFPZYMGPCEHG-BJKOFHAPSA-N 1 1 454.014 4.124 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3ccc(C)o3)n2CCn2cc[nH+]c2C)cc1Br ZINC001300001992 1067341929 /nfs/dbraw/zinc/34/19/29/1067341929.db2.gz IIYGMWDNGVMRLX-UHFFFAOYSA-N 1 1 485.386 4.459 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001492554100 1067353792 /nfs/dbraw/zinc/35/37/92/1067353792.db2.gz RRPXLPZBHKNNPI-YADHBBJMSA-N 1 1 452.647 4.284 20 0 JIADMO COc1ccc(-c2nnc(N(C)CCC(F)F)n2CC[N@H+]2CCc3sccc3C2)cc1OC ZINC001300011132 1067364377 /nfs/dbraw/zinc/36/43/77/1067364377.db2.gz BLLMAWWCQWLRTC-UHFFFAOYSA-N 1 1 477.581 4.174 20 0 JIADMO CO[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001300793397 1067365418 /nfs/dbraw/zinc/36/54/18/1067365418.db2.gz FXCGLWXRKLFVLQ-JXFKEZNVSA-N 1 1 460.529 4.003 20 0 JIADMO CO[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001300793405 1067365455 /nfs/dbraw/zinc/36/54/55/1067365455.db2.gz FXCGLWXRKLFVLQ-UZLBHIALSA-N 1 1 460.529 4.003 20 0 JIADMO CC(C)(C)OC(=O)NC[C@@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(F)(F)F ZINC001300014446 1067371196 /nfs/dbraw/zinc/37/11/96/1067371196.db2.gz STLHXRMRNYZRNL-DOTOQJQBSA-N 1 1 458.525 4.065 20 0 JIADMO COc1ccc(-c2nnc(N(C)OC)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1Br ZINC001300017478 1067379552 /nfs/dbraw/zinc/37/95/52/1067379552.db2.gz PQPXPZBIGPEMPF-IYBDPMFKSA-N 1 1 466.424 4.082 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CC[N@@H+](C)C2CCCCC2)cc1OC ZINC001300023791 1067392999 /nfs/dbraw/zinc/39/29/99/1067392999.db2.gz IWSKFDWQCDHIBJ-HSZRJFAPSA-N 1 1 471.646 4.088 20 0 JIADMO COc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300027072 1067399511 /nfs/dbraw/zinc/39/95/11/1067399511.db2.gz IJYREYVVABCJRX-QGZVFWFLSA-N 1 1 479.547 4.393 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(C(F)(F)F)CC3)n2CC[N@@H+]2CC=CCC2)c(OC)c1 ZINC001300032399 1067427077 /nfs/dbraw/zinc/42/70/77/1067427077.db2.gz FBAXDTRTJVFFLY-UHFFFAOYSA-N 1 1 465.520 4.003 20 0 JIADMO C[NH+]1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3[C@@H](O)c3ccccc3)s2)CC1 ZINC001300036867 1067445870 /nfs/dbraw/zinc/44/58/70/1067445870.db2.gz ILMFKNRXAKQGNA-QHCPKHFHSA-N 1 1 456.011 4.483 20 0 JIADMO CC[C@@H](NC(=O)c1csc(N(C)c2ccccc2)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355543927 1067504477 /nfs/dbraw/zinc/50/44/77/1067504477.db2.gz DRLPYALOLOPFGR-GGAORHGYSA-N 1 1 450.608 4.320 20 0 JIADMO CC[C@@H](NC(=O)c1csc(N(C)c2ccccc2)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355543927 1067504493 /nfs/dbraw/zinc/50/44/93/1067504493.db2.gz DRLPYALOLOPFGR-GGAORHGYSA-N 1 1 450.608 4.320 20 0 JIADMO CCOC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](CC)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001355544802 1067506375 /nfs/dbraw/zinc/50/63/75/1067506375.db2.gz JCNOVUFETRBTGI-YADHBBJMSA-N 1 1 459.974 4.318 20 0 JIADMO CCOC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](CC)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001355544802 1067506397 /nfs/dbraw/zinc/50/63/97/1067506397.db2.gz JCNOVUFETRBTGI-YADHBBJMSA-N 1 1 459.974 4.318 20 0 JIADMO CC[C@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355547884 1067507613 /nfs/dbraw/zinc/50/76/13/1067507613.db2.gz WYOLCBPBGQVJJN-OALUTQOASA-N 1 1 459.015 4.211 20 0 JIADMO CC[C@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355547884 1067507641 /nfs/dbraw/zinc/50/76/41/1067507641.db2.gz WYOLCBPBGQVJJN-OALUTQOASA-N 1 1 459.015 4.211 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300050900 1067511477 /nfs/dbraw/zinc/51/14/77/1067511477.db2.gz VYBABHWIVJSLLR-ISKFKSNPSA-N 1 1 455.647 4.183 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2CCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC001300052116 1067520737 /nfs/dbraw/zinc/52/07/37/1067520737.db2.gz VNGWDTJENOQAFV-FQRUVTKNSA-N 1 1 471.646 4.232 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001300052187 1067521388 /nfs/dbraw/zinc/52/13/88/1067521388.db2.gz WSTCRRRPVFWJSY-IBVKSMDESA-N 1 1 471.646 4.088 20 0 JIADMO CNC(=O)c1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC001355644637 1067539497 /nfs/dbraw/zinc/53/94/97/1067539497.db2.gz FLWDQRYENSOHKI-LOSJGSFVSA-N 1 1 461.993 4.232 20 0 JIADMO COc1cccc(C[N@H+]2CCC3(C2)CCN(C(=S)NCCc2ccc(OC)c(OC)c2)CC3)c1 ZINC001200076532 1067541706 /nfs/dbraw/zinc/54/17/06/1067541706.db2.gz KUZBGVWHCRJLKK-UHFFFAOYSA-N 1 1 483.678 4.118 20 0 JIADMO CC(=O)N[C@H](C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1)C(C)(C)C ZINC001355656165 1067542791 /nfs/dbraw/zinc/54/27/91/1067542791.db2.gz MIJLSYJRVSOQBU-HSZRJFAPSA-N 1 1 457.018 4.152 20 0 JIADMO CO[C@@H]1COCC[C@@H]1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC001355656696 1067543351 /nfs/dbraw/zinc/54/33/51/1067543351.db2.gz RDDJWGQQKLCQHB-HYBUGGRVSA-N 1 1 458.002 4.042 20 0 JIADMO COc1ccc(-c2nnc(N3CCCC[C@@H](SC)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC001300059175 1067555045 /nfs/dbraw/zinc/55/50/45/1067555045.db2.gz KCYVJIHWDDUVGN-PZJWPPBQSA-N 1 1 473.687 4.416 20 0 JIADMO COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)C(=S)NCCc2ccc(OC)c(OC)c2)cc1 ZINC001200080515 1067558793 /nfs/dbraw/zinc/55/87/93/1067558793.db2.gz WEFLYXRVJYCNCQ-QFIPXVFZSA-N 1 1 471.667 4.116 20 0 JIADMO Cc1cc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)ccc1NC(=O)OC(C)(C)C ZINC001355714943 1067560456 /nfs/dbraw/zinc/56/04/56/1067560456.db2.gz OUFUMIUBMSTCAZ-OAQYLSRUSA-N 1 1 452.555 4.044 20 0 JIADMO Cc1cc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)ccc1NC(=O)OC(C)(C)C ZINC001355714943 1067560483 /nfs/dbraw/zinc/56/04/83/1067560483.db2.gz OUFUMIUBMSTCAZ-OAQYLSRUSA-N 1 1 452.555 4.044 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2nc(C)c(C)s2)c(OC)c1 ZINC001300062301 1067569459 /nfs/dbraw/zinc/56/94/59/1067569459.db2.gz YSAHMIXKWVDPJL-UHFFFAOYSA-N 1 1 484.670 4.395 20 0 JIADMO Cc1nn(CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001355803447 1067583402 /nfs/dbraw/zinc/58/34/02/1067583402.db2.gz AMTYGQSOHIIEER-HXUWFJFHSA-N 1 1 459.516 4.397 20 0 JIADMO Cc1nn(CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001355803447 1067583418 /nfs/dbraw/zinc/58/34/18/1067583418.db2.gz AMTYGQSOHIIEER-HXUWFJFHSA-N 1 1 459.516 4.397 20 0 JIADMO COc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC001300068460 1067586320 /nfs/dbraw/zinc/58/63/20/1067586320.db2.gz NHRLJMGSAJNIAR-FGZHOGPDSA-N 1 1 498.716 4.249 20 0 JIADMO Cc1ccc(-c2nn(-c3ccccc3)cc2CNC2CC[NH+](CCC(=O)N(C)C)CC2)cc1C ZINC001200089407 1067587000 /nfs/dbraw/zinc/58/70/00/1067587000.db2.gz TYYYTWDJFFXQII-UHFFFAOYSA-N 1 1 459.638 4.188 20 0 JIADMO Cc1nn(C)c(C)c1C(=O)NC1(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CCCC1 ZINC001355899146 1067602531 /nfs/dbraw/zinc/60/25/31/1067602531.db2.gz ZAELJPQGAFINIS-SFHVURJKSA-N 1 1 451.615 4.093 20 0 JIADMO COc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CC[N@H+]2CCCC(C)(C)C2)cc1Br ZINC001300084607 1067625048 /nfs/dbraw/zinc/62/50/48/1067625048.db2.gz YDHMYGWUXOCFRG-QGZVFWFLSA-N 1 1 492.462 4.063 20 0 JIADMO Cn1ccc(C[N@@H+]2CCCC23CCN(S(=O)(=O)c2ccc(Cl)c4ccccc42)CC3)n1 ZINC001200106365 1067630920 /nfs/dbraw/zinc/63/09/20/1067630920.db2.gz LFBPXPAPEFEKCT-UHFFFAOYSA-N 1 1 459.015 4.046 20 0 JIADMO Cn1ccc(C[N@H+]2CCCC23CCN(S(=O)(=O)c2ccc(Cl)c4ccccc42)CC3)n1 ZINC001200106365 1067630927 /nfs/dbraw/zinc/63/09/27/1067630927.db2.gz LFBPXPAPEFEKCT-UHFFFAOYSA-N 1 1 459.015 4.046 20 0 JIADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)CCCc2ccc3ccccc3c2)cc1 ZINC001352698130 1067632251 /nfs/dbraw/zinc/63/22/51/1067632251.db2.gz BUBZFWUHBFCNFA-UHFFFAOYSA-N 1 1 458.606 4.011 20 0 JIADMO COc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2CC[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300089786 1067642650 /nfs/dbraw/zinc/64/26/50/1067642650.db2.gz QZELPOZLYABVKZ-GUDVDZBRSA-N 1 1 459.660 4.024 20 0 JIADMO COc1ccc(-c2nnc(N3CCS[C@@H](C)[C@H]3C)n2CCCCn2cc[nH+]c2C)c(OC)c1 ZINC001300090280 1067645002 /nfs/dbraw/zinc/64/50/02/1067645002.db2.gz UCYKMKGCCBGCQQ-MSOLQXFVSA-N 1 1 470.643 4.278 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c4ccccc43)CC[C@@H]21 ZINC001200109931 1067646562 /nfs/dbraw/zinc/64/65/62/1067646562.db2.gz URJDKNGNCIFBCQ-MSYCTHLASA-N 1 1 473.042 4.252 20 0 JIADMO COc1ccc([C@@H]2CCCN2c2nnc(C(C)(C)C)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001300093771 1067654033 /nfs/dbraw/zinc/65/40/33/1067654033.db2.gz AJNRQUMJOALFEE-DEOSSOPVSA-N 1 1 468.690 4.199 20 0 JIADMO Cn1cc(-c2cccc(C(=O)NC3CC[NH+](Cc4ccc(Br)cc4)CC3)c2)cn1 ZINC001356088009 1067654850 /nfs/dbraw/zinc/65/48/50/1067654850.db2.gz SAUPKOFQDXIEQR-UHFFFAOYSA-N 1 1 453.384 4.244 20 0 JIADMO COc1ccc([C@@H]2CCCN2c2nnc(CC(C)(C)C)n2CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC001300099272 1067670261 /nfs/dbraw/zinc/67/02/61/1067670261.db2.gz VLIRCLOIDHFESW-VWNXMTODSA-N 1 1 469.674 4.454 20 0 JIADMO COc1ccc(C[C@@H](C)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300099554 1067671385 /nfs/dbraw/zinc/67/13/85/1067671385.db2.gz HOAOBHKMSZMKKW-YKSBVNFPSA-N 1 1 477.657 4.179 20 0 JIADMO COc1ccc(CN(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)[C@H](CO)C(C)C)cc1 ZINC001200120996 1067678341 /nfs/dbraw/zinc/67/83/41/1067678341.db2.gz DUOUFWOQPRMKQA-CJFMBICVSA-N 1 1 455.599 4.139 20 0 JIADMO C[C@@H](NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1ccc(N2CCCOC2=O)cc1 ZINC001200120780 1067678386 /nfs/dbraw/zinc/67/83/86/1067678386.db2.gz BRIXRMQWMOUSFQ-MOPGFXCFSA-N 1 1 452.555 4.309 20 0 JIADMO C[C@@H](c1ccc(NC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1)[NH+]1CCOCC1 ZINC001200122307 1067684934 /nfs/dbraw/zinc/68/49/34/1067684934.db2.gz QQVBEPXJXVQDSD-LPHOPBHVSA-N 1 1 451.493 4.164 20 0 JIADMO C[C@@H](c1ccc(NC(=O)NCCc2cnc(SC3CCCC3)nc2)cc1)[NH+]1CCOCC1 ZINC001200123012 1067686465 /nfs/dbraw/zinc/68/64/65/1067686465.db2.gz XDEFKULGGVIBSV-SFHVURJKSA-N 1 1 455.628 4.269 20 0 JIADMO 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 1067688365 /nfs/dbraw/zinc/68/83/65/1067688365.db2.gz LEFDMELPVHSXTP-DPLHUUCSSA-N 1 1 496.700 4.063 20 0 JIADMO Cc1nc(COc2cccc(C(=O)NC[C@H]3CCCC[N@@H+]3Cc3cccc(Cl)c3)c2)no1 ZINC001352756661 1067704398 /nfs/dbraw/zinc/70/43/98/1067704398.db2.gz FJTLXXYUHCLBMN-OAQYLSRUSA-N 1 1 454.958 4.395 20 0 JIADMO Cc1nc(COc2cccc(C(=O)NC[C@H]3CCCC[N@H+]3Cc3cccc(Cl)c3)c2)no1 ZINC001352756661 1067704410 /nfs/dbraw/zinc/70/44/10/1067704410.db2.gz FJTLXXYUHCLBMN-OAQYLSRUSA-N 1 1 454.958 4.395 20 0 JIADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001352757449 1067705821 /nfs/dbraw/zinc/70/58/21/1067705821.db2.gz PINPXMGHCOUIPN-XMMPIXPASA-N 1 1 454.014 4.363 20 0 JIADMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001352757449 1067705835 /nfs/dbraw/zinc/70/58/35/1067705835.db2.gz PINPXMGHCOUIPN-XMMPIXPASA-N 1 1 454.014 4.363 20 0 JIADMO COc1ccc(CCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300112931 1067716721 /nfs/dbraw/zinc/71/67/21/1067716721.db2.gz AEUOWXYJMBCTOE-DEOSSOPVSA-N 1 1 499.700 4.028 20 0 JIADMO C[C@@H]1CN(C(=O)[C@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001356353696 1067733622 /nfs/dbraw/zinc/73/36/22/1067733622.db2.gz BNTVYZDFAYAGGG-SELNLUPBSA-N 1 1 453.583 4.235 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC001356354775 1067734097 /nfs/dbraw/zinc/73/40/97/1067734097.db2.gz KWDNOFBZJWFJIR-PQNGQFLHSA-N 1 1 451.611 4.416 20 0 JIADMO Cc1onc(-c2ccccn2)c1C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC001356378390 1067739732 /nfs/dbraw/zinc/73/97/32/1067739732.db2.gz MACFECPVRIQKNQ-OAHLLOKOSA-N 1 1 451.502 4.249 20 0 JIADMO Cc1onc(-c2ccccn2)c1C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC001356378390 1067739747 /nfs/dbraw/zinc/73/97/47/1067739747.db2.gz MACFECPVRIQKNQ-OAHLLOKOSA-N 1 1 451.502 4.249 20 0 JIADMO 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 1067765392 /nfs/dbraw/zinc/76/53/92/1067765392.db2.gz ICCOKDNWOGBHIA-BYQMVHIGSA-N 1 1 455.643 4.441 20 0 JIADMO COc1ccc(CCCN(C)c2nnc(Cc3ccccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300132913 1067771962 /nfs/dbraw/zinc/77/19/62/1067771962.db2.gz IIYSOVZBGUXDKU-VWLOTQADSA-N 1 1 476.669 4.462 20 0 JIADMO COc1ccc(CCCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300133150 1067772418 /nfs/dbraw/zinc/77/24/18/1067772418.db2.gz OKQANNBKWMPRIH-AOHZBQACSA-N 1 1 469.674 4.370 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)c1 ZINC001357128754 1067807563 /nfs/dbraw/zinc/80/75/63/1067807563.db2.gz ZQHFWRHDSXRSEC-IBGZPJMESA-N 1 1 458.440 4.062 20 0 JIADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)c1 ZINC001357128754 1067807571 /nfs/dbraw/zinc/80/75/71/1067807571.db2.gz ZQHFWRHDSXRSEC-IBGZPJMESA-N 1 1 458.440 4.062 20 0 JIADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC001357154544 1067811748 /nfs/dbraw/zinc/81/17/48/1067811748.db2.gz TZBJEINIESQDPD-IXCJQBJRSA-N 1 1 476.642 4.302 20 0 JIADMO Cc1ccc(NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC001357209718 1067818935 /nfs/dbraw/zinc/81/89/35/1067818935.db2.gz NVAFKPLFUHJNPC-AZUAARDMSA-N 1 1 458.603 4.003 20 0 JIADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2csc(-c3ccc(Br)s3)n2)C[C@H](C)O1 ZINC001357218882 1067820224 /nfs/dbraw/zinc/82/02/24/1067820224.db2.gz CQYAIVSYBZPWIK-TXEJJXNPSA-N 1 1 458.447 4.252 20 0 JIADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2csc(-c3ccc(Br)s3)n2)C[C@H](C)O1 ZINC001357218882 1067820225 /nfs/dbraw/zinc/82/02/25/1067820225.db2.gz CQYAIVSYBZPWIK-TXEJJXNPSA-N 1 1 458.447 4.252 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1O ZINC001300165866 1067824097 /nfs/dbraw/zinc/82/40/97/1067824097.db2.gz ICLLOWYTJPCYBZ-BGYRXZFFSA-N 1 1 478.641 4.367 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC001300169335 1067827521 /nfs/dbraw/zinc/82/75/21/1067827521.db2.gz DWRWMUGXCCTODG-JTHBVZDNSA-N 1 1 455.647 4.390 20 0 JIADMO C[NH+](C)Cc1cc(C(=O)N2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)no1 ZINC001353009378 1067832871 /nfs/dbraw/zinc/83/28/71/1067832871.db2.gz NJEAIRAGXGBCNV-HSZRJFAPSA-N 1 1 453.587 4.065 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1OC ZINC001300176620 1067837220 /nfs/dbraw/zinc/83/72/20/1067837220.db2.gz ZYWRYJQSHTWRRE-XMMPIXPASA-N 1 1 478.641 4.038 20 0 JIADMO C[C@@H](CNC(=O)c1ccc(Cl)c(I)c1)[N@H+]1CCc2ccccc2C1 ZINC001357359879 1067839155 /nfs/dbraw/zinc/83/91/55/1067839155.db2.gz OWOHAGZXGUHUIR-ZDUSSCGKSA-N 1 1 454.739 4.121 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCn2cc[nH+]c2C)cc1OC ZINC001300179160 1067841113 /nfs/dbraw/zinc/84/11/13/1067841113.db2.gz MWFPONNFTUJJHA-ZJSXRUAMSA-N 1 1 496.656 4.446 20 0 JIADMO Cc1cccc(Cl)c1NC(=S)N[C@H]1CC[N@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001200205382 1067842620 /nfs/dbraw/zinc/84/26/20/1067842620.db2.gz CIKAEWHMFJDFFL-INIZCTEOSA-N 1 1 453.052 4.409 20 0 JIADMO C[C@@H](c1ccc(NC(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1)[NH+]1CCOCC1 ZINC001353057499 1067848380 /nfs/dbraw/zinc/84/83/80/1067848380.db2.gz XDIDXFWTQDUZKG-IBGZPJMESA-N 1 1 457.615 4.446 20 0 JIADMO COc1ccc(Cn2c(C(C)C)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c(OC)c1OC ZINC001300185301 1067849587 /nfs/dbraw/zinc/84/95/87/1067849587.db2.gz VUTPLVHWJARVIB-UHFFFAOYSA-N 1 1 459.635 4.032 20 0 JIADMO CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@@H](C[N@@H+]3CCc4cccc(Br)c4C3)C2)C1 ZINC001473277020 1067850939 /nfs/dbraw/zinc/85/09/39/1067850939.db2.gz QVCNGAWAGBDSSZ-VGSWGCGISA-N 1 1 451.405 4.223 20 0 JIADMO CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@@H](C[N@H+]3CCc4cccc(Br)c4C3)C2)C1 ZINC001473277020 1067850941 /nfs/dbraw/zinc/85/09/41/1067850941.db2.gz QVCNGAWAGBDSSZ-VGSWGCGISA-N 1 1 451.405 4.223 20 0 JIADMO CC[N@H+](CC(=O)N[C@H](C(=O)NC)c1ccccc1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001473277279 1067852291 /nfs/dbraw/zinc/85/22/91/1067852291.db2.gz IKJMXBQVNSSDIS-DCFHFQCYSA-N 1 1 459.590 4.349 20 0 JIADMO CC[N@@H+](CC(=O)N[C@H](C(=O)NC)c1ccccc1)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC001473277279 1067852296 /nfs/dbraw/zinc/85/22/96/1067852296.db2.gz IKJMXBQVNSSDIS-DCFHFQCYSA-N 1 1 459.590 4.349 20 0 JIADMO O=C(CSCc1cscn1)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC001353093635 1067860754 /nfs/dbraw/zinc/86/07/54/1067860754.db2.gz XHTKAQJPSGQOBZ-UHFFFAOYSA-N 1 1 452.649 4.333 20 0 JIADMO O=C(CSCc1cscn1)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC001353093635 1067860756 /nfs/dbraw/zinc/86/07/56/1067860756.db2.gz XHTKAQJPSGQOBZ-UHFFFAOYSA-N 1 1 452.649 4.333 20 0 JIADMO COc1ccc(Cn2c(-c3ccccc3Cl)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c(OC)n1 ZINC001300196308 1067865014 /nfs/dbraw/zinc/86/50/14/1067865014.db2.gz KEEISFHCMGIDNG-UHFFFAOYSA-N 1 1 485.032 4.370 20 0 JIADMO CCOC(=O)COc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001357541067 1067866784 /nfs/dbraw/zinc/86/67/84/1067866784.db2.gz JHRHTXALVJLHPP-QFIPXVFZSA-N 1 1 450.457 4.022 20 0 JIADMO COC(=O)c1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c(F)cc1F ZINC001357562894 1067870625 /nfs/dbraw/zinc/87/06/25/1067870625.db2.gz WSPRTLMNGNAQLC-VQTJNVASSA-N 1 1 451.473 4.001 20 0 JIADMO CCC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)CC[N@H+]1Cc1ccccc1 ZINC001357607580 1067876565 /nfs/dbraw/zinc/87/65/65/1067876565.db2.gz CEFUJFVAVPCXRF-GGAORHGYSA-N 1 1 451.636 4.275 20 0 JIADMO COc1ccc(-c2nc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)n[nH]2)c(OC)c1 ZINC001357629305 1067879355 /nfs/dbraw/zinc/87/93/55/1067879355.db2.gz LMOLYYWRQIJXGP-DENIHFKCSA-N 1 1 463.582 4.222 20 0 JIADMO COc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3CC(C)C)n2)c(OC)c1 ZINC001357629305 1067879357 /nfs/dbraw/zinc/87/93/57/1067879357.db2.gz LMOLYYWRQIJXGP-DENIHFKCSA-N 1 1 463.582 4.222 20 0 JIADMO COc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3CC(C)C)n2)c(OC)c1 ZINC001357629305 1067879358 /nfs/dbraw/zinc/87/93/58/1067879358.db2.gz LMOLYYWRQIJXGP-DENIHFKCSA-N 1 1 463.582 4.222 20 0 JIADMO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001357632187 1067879839 /nfs/dbraw/zinc/87/98/39/1067879839.db2.gz UQFKTKFZNSQPCI-RZLJKOCPSA-N 1 1 457.618 4.475 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001492559599 1067885096 /nfs/dbraw/zinc/88/50/96/1067885096.db2.gz HNVAIRCXUIZABH-NHCUHLMSSA-N 1 1 455.647 4.004 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001492559599 1067885097 /nfs/dbraw/zinc/88/50/97/1067885097.db2.gz HNVAIRCXUIZABH-NHCUHLMSSA-N 1 1 455.647 4.004 20 0 JIADMO O=C(NCc1cccc(OCC(F)F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001357860630 1067923298 /nfs/dbraw/zinc/92/32/98/1067923298.db2.gz LUHUWDFYESNAGA-BJKOFHAPSA-N 1 1 451.517 4.258 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc(-c2cccn2C)n1CC[N@@H+](C)C1CCCC1 ZINC001300237061 1067930892 /nfs/dbraw/zinc/93/08/92/1067930892.db2.gz CTNPLYLCHAWTER-UHFFFAOYSA-N 1 1 457.022 4.456 20 0 JIADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC001357936451 1067950276 /nfs/dbraw/zinc/95/02/76/1067950276.db2.gz QEXHTMDNOQELQC-XNMGPUDCSA-N 1 1 462.615 4.260 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001492560446 1067952429 /nfs/dbraw/zinc/95/24/29/1067952429.db2.gz WODNHAHMAUCMLW-GPJHCHHRSA-N 1 1 455.647 4.004 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001492560446 1067952462 /nfs/dbraw/zinc/95/24/62/1067952462.db2.gz WODNHAHMAUCMLW-GPJHCHHRSA-N 1 1 455.647 4.004 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CCCNC(=O)C2CCC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001492560614 1067955406 /nfs/dbraw/zinc/95/54/06/1067955406.db2.gz ZRMYPWWYXHNMHH-IRLDBZIGSA-N 1 1 466.674 4.117 20 0 JIADMO COc1ccc(F)cc1CN1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001300245765 1067971033 /nfs/dbraw/zinc/97/10/33/1067971033.db2.gz ZUMPBCHHVLRNGJ-NRFANRHFSA-N 1 1 486.680 4.310 20 0 JIADMO Cc1cccc(NC(=O)Nc2cccc(CNC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)c2)c1 ZINC001357997998 1067979080 /nfs/dbraw/zinc/97/90/80/1067979080.db2.gz WHGCBTDQFXMKOB-RUZDIDTESA-N 1 1 458.562 4.156 20 0 JIADMO Cc1cccc(NC(=O)Nc2cccc(CNC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c2)c1 ZINC001357997998 1067979106 /nfs/dbraw/zinc/97/91/06/1067979106.db2.gz WHGCBTDQFXMKOB-RUZDIDTESA-N 1 1 458.562 4.156 20 0 JIADMO COc1ccc(O[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001300248680 1067987813 /nfs/dbraw/zinc/98/78/13/1067987813.db2.gz DSAAMSWYXJOCAL-FQEVSTJZSA-N 1 1 464.614 4.127 20 0 JIADMO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001358035446 1067997732 /nfs/dbraw/zinc/99/77/32/1067997732.db2.gz MNVLSOOKMRVDLE-BFMBIBTESA-N 1 1 457.977 4.124 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(C(F)(F)C(F)(F)F)cc3)cc2)C1 ZINC001358072588 1068009657 /nfs/dbraw/zinc/00/96/57/1068009657.db2.gz OCHOLQGGAXELHQ-MRXNPFEDSA-N 1 1 455.427 4.290 20 0 JIADMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)[C@H]3c3cnn(C)c3)c2C1 ZINC001358122929 1068024529 /nfs/dbraw/zinc/02/45/29/1068024529.db2.gz ZGFUUGSXCWAHJH-YKSBVNFPSA-N 1 1 451.615 4.109 20 0 JIADMO CN(Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC001300263249 1068029159 /nfs/dbraw/zinc/02/91/59/1068029159.db2.gz WOUBZQPJEDAHBT-QHCPKHFHSA-N 1 1 455.574 4.473 20 0 JIADMO CN(Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC001300263249 1068029174 /nfs/dbraw/zinc/02/91/74/1068029174.db2.gz WOUBZQPJEDAHBT-QHCPKHFHSA-N 1 1 455.574 4.473 20 0 JIADMO COc1ccc(OCc2nnc(N(C)Cc3cnc(C)s3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300263753 1068030846 /nfs/dbraw/zinc/03/08/46/1068030846.db2.gz OHWHJTYZZTUPER-RBUKOAKNSA-N 1 1 484.670 4.387 20 0 JIADMO 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 1068039555 /nfs/dbraw/zinc/03/95/55/1068039555.db2.gz UDVNRLSSJMTHKO-UCLAIMLFSA-N 1 1 454.949 4.366 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001492563491 1068040591 /nfs/dbraw/zinc/04/05/91/1068040591.db2.gz CMRAUWHPYDDLGL-GOSISDBHSA-N 1 1 451.537 4.143 20 0 JIADMO COc1cc(CN(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc(OC)c1 ZINC001358198274 1068042284 /nfs/dbraw/zinc/04/22/84/1068042284.db2.gz FIUTXMVOUCWIJL-DHIUTWEWSA-N 1 1 451.592 4.035 20 0 JIADMO Cc1[nH+]ccn1CCn1c(-c2ccccc2C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001492563697 1068044082 /nfs/dbraw/zinc/04/40/82/1068044082.db2.gz KAEPZJRAFJPDSQ-OAQYLSRUSA-N 1 1 479.629 4.152 20 0 JIADMO COc1ccc(OCc2nnc(N3CC=C(C(C)(C)C)CC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300270897 1068049984 /nfs/dbraw/zinc/04/99/84/1068049984.db2.gz IOXPWSMDHVUHNR-RUZDIDTESA-N 1 1 497.684 4.405 20 0 JIADMO COc1ccc(OCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300271226 1068051177 /nfs/dbraw/zinc/05/11/77/1068051177.db2.gz VHAAVQDMLMDEGE-BDTNDASRSA-N 1 1 485.673 4.237 20 0 JIADMO COc1ccc(OCc2nnc(N3C[C@@H](OC)C(C)(C)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001300271852 1068053135 /nfs/dbraw/zinc/05/31/35/1068053135.db2.gz MUIYVFQUOWCWAG-XUZZJYLKSA-N 1 1 485.673 4.095 20 0 JIADMO COc1ccc(OCc2nnc(N3C[C@H](OC)C(C)(C)C3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001300271850 1068053543 /nfs/dbraw/zinc/05/35/43/1068053543.db2.gz MUIYVFQUOWCWAG-QPPBQGQZSA-N 1 1 485.673 4.095 20 0 JIADMO COc1ccc(OCc2nnc(N3CCC(C)=C(Br)C3)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001300278241 1068065069 /nfs/dbraw/zinc/06/50/69/1068065069.db2.gz PPIDPXJDZFCEHT-UHFFFAOYSA-N 1 1 488.430 4.007 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cc3cc(Br)ccc3s2)c1 ZINC001358344824 1068070776 /nfs/dbraw/zinc/07/07/76/1068070776.db2.gz UCHORYOUWALVGR-KRWDZBQOSA-N 1 1 458.381 4.366 20 0 JIADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cc3cc(Br)ccc3s2)c1 ZINC001358344824 1068070792 /nfs/dbraw/zinc/07/07/92/1068070792.db2.gz UCHORYOUWALVGR-KRWDZBQOSA-N 1 1 458.381 4.366 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC001358344838 1068070956 /nfs/dbraw/zinc/07/09/56/1068070956.db2.gz UGQRIXFYVUCHDF-TVNWYLLRSA-N 1 1 451.876 4.374 20 0 JIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC001358344838 1068070975 /nfs/dbraw/zinc/07/09/75/1068070975.db2.gz UGQRIXFYVUCHDF-TVNWYLLRSA-N 1 1 451.876 4.374 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)c1 ZINC001358344207 1068071025 /nfs/dbraw/zinc/07/10/25/1068071025.db2.gz NIWKIJUVNOZZNK-NRFANRHFSA-N 1 1 450.926 4.229 20 0 JIADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)c1 ZINC001358344207 1068071039 /nfs/dbraw/zinc/07/10/39/1068071039.db2.gz NIWKIJUVNOZZNK-NRFANRHFSA-N 1 1 450.926 4.229 20 0 JIADMO COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(C)[nH+]c(C)c3)[C@H]2c2ccccc2OC)cc1 ZINC001358360390 1068074270 /nfs/dbraw/zinc/07/42/70/1068074270.db2.gz MEUVJHFDHQGWHY-ZEQKJWHPSA-N 1 1 459.546 4.261 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(Br)cccc1Br ZINC001358438502 1068090928 /nfs/dbraw/zinc/09/09/28/1068090928.db2.gz KBLDKFNDVLQULM-CXAGYDPISA-N 1 1 452.190 4.462 20 0 JIADMO COc1ccc(OCc2nnc(N3CCCO[C@H](C)C3)n2CCC[N@@H+](C)C2CCCCC2)cc1 ZINC001300290173 1068093478 /nfs/dbraw/zinc/09/34/78/1068093478.db2.gz IPJAXOJNDFZXCB-OAQYLSRUSA-N 1 1 471.646 4.136 20 0 JIADMO Cc1ccc(CN2C[C@@H](C(=O)NC[C@@H]3CCCC[N@@H+]3Cc3cccc(Cl)c3)CC2=O)cc1 ZINC001358478459 1068099637 /nfs/dbraw/zinc/09/96/37/1068099637.db2.gz FLXGKRKNGPYPSU-UPVQGACJSA-N 1 1 454.014 4.168 20 0 JIADMO Cc1ccc(CN2C[C@@H](C(=O)NC[C@@H]3CCCC[N@H+]3Cc3cccc(Cl)c3)CC2=O)cc1 ZINC001358478459 1068099650 /nfs/dbraw/zinc/09/96/50/1068099650.db2.gz FLXGKRKNGPYPSU-UPVQGACJSA-N 1 1 454.014 4.168 20 0 JIADMO COc1ccc(OCc2nnc(N3CCSC(C)(C)C3)n2CCCCn2cc[nH+]c2C)cc1 ZINC001300298212 1068133336 /nfs/dbraw/zinc/13/33/36/1068133336.db2.gz ZVOLJHGZPQXBRG-UHFFFAOYSA-N 1 1 470.643 4.183 20 0 JIADMO CC(C)N(C(C)C)S(=O)(=O)c1ccc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc1 ZINC000493414695 1068139117 /nfs/dbraw/zinc/13/91/17/1068139117.db2.gz YRWZAPREOUEFRN-IBGZPJMESA-N 1 1 450.674 4.275 20 0 JIADMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CC[NH+](Cc3ccn(-c4ccccc4F)n3)CC2)C1 ZINC001473552674 1068246345 /nfs/dbraw/zinc/24/63/45/1068246345.db2.gz XHZWPBCQANPXPF-XXBNENTESA-N 1 1 458.578 4.296 20 0 JIADMO O=C(NCCCNc1ccc(C(F)(F)F)cn1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000514069517 1068252205 /nfs/dbraw/zinc/25/22/05/1068252205.db2.gz DNMOBRHPHOCJBW-INIZCTEOSA-N 1 1 455.550 4.175 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@@]3(O)CCCC3(C)C)CC2)c1 ZINC001300333722 1068292961 /nfs/dbraw/zinc/29/29/61/1068292961.db2.gz XEAKBYPTGTXKOO-DCFHFQCYSA-N 1 1 469.674 4.409 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc([C@H]4CCCOC4)n3CCC(C)(F)F)CC2)c1 ZINC001300333808 1068295169 /nfs/dbraw/zinc/29/51/69/1068295169.db2.gz DAGVGMMVKUQZNX-QUCCMNQESA-N 1 1 463.573 4.109 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C4CCC4)n3CCN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC001300334918 1068303970 /nfs/dbraw/zinc/30/39/70/1068303970.db2.gz KQVHIAZTVHVALL-HXUWFJFHSA-N 1 1 498.672 4.304 20 0 JIADMO C[N@@H+](CCCNC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1)Cc1ccccc1 ZINC001353538836 1068304245 /nfs/dbraw/zinc/30/42/45/1068304245.db2.gz QKADABCOSKLRAB-LXGWOEDASA-N 1 1 454.014 4.373 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc([C@H]4CCCO4)n3C[C@](C)(O)CCC(C)C)CC2)c1 ZINC001300335251 1068306454 /nfs/dbraw/zinc/30/64/54/1068306454.db2.gz OVHJTBFIYPSPCT-YEEURNOCSA-N 1 1 485.673 4.209 20 0 JIADMO C[C@@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000520165650 1068321238 /nfs/dbraw/zinc/32/12/38/1068321238.db2.gz VVCMXDUJWDYNDO-DNVCBOLYSA-N 1 1 457.600 4.292 20 0 JIADMO C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000521179831 1068330588 /nfs/dbraw/zinc/33/05/88/1068330588.db2.gz HRKJOICJHBMCID-XLIONFOSSA-N 1 1 453.637 4.022 20 0 JIADMO COc1ccccc1Nc1nnc(SCC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)s1 ZINC000524512021 1068353327 /nfs/dbraw/zinc/35/33/27/1068353327.db2.gz SVDVKICLHVZZPB-UHFFFAOYSA-N 1 1 483.663 4.425 20 0 JIADMO COc1cccc(-c2nnc(N(C)Cc3cccs3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001300350573 1068360419 /nfs/dbraw/zinc/36/04/19/1068360419.db2.gz ISFDSUHXPWBEHI-KDURUIRLSA-N 1 1 455.628 4.151 20 0 JIADMO CC(=O)Nc1ccc(C[NH+]2CCC(NCc3cnc(NC(=O)OC(C)(C)C)s3)CC2)cc1 ZINC001474153976 1068360465 /nfs/dbraw/zinc/36/04/65/1068360465.db2.gz ZQAOAOBTNUQHFD-UHFFFAOYSA-N 1 1 459.616 4.203 20 0 JIADMO COc1cccc(-c2nnc(N(C)CCc3nccs3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001300353887 1068371240 /nfs/dbraw/zinc/37/12/40/1068371240.db2.gz TXUHADKBFDCXBS-HXUWFJFHSA-N 1 1 468.671 4.457 20 0 JIADMO Cc1c2ccccc2oc(=O)c1C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC001353632999 1068384528 /nfs/dbraw/zinc/38/45/28/1068384528.db2.gz YEJVRISRSYFHKU-OAHLLOKOSA-N 1 1 451.498 4.306 20 0 JIADMO Cc1c2ccccc2oc(=O)c1C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC001353632999 1068384545 /nfs/dbraw/zinc/38/45/45/1068384545.db2.gz YEJVRISRSYFHKU-OAHLLOKOSA-N 1 1 451.498 4.306 20 0 JIADMO COc1cccc(-c2nnc(N3CC[C@H](OCC(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001300377430 1068456760 /nfs/dbraw/zinc/45/67/60/1068456760.db2.gz UWUXHPGGYBTGMS-QHCPKHFHSA-N 1 1 455.647 4.327 20 0 JIADMO COc1cccc(-c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2C[C@H](OC)C(C)(C)C)c1 ZINC001300388387 1068496850 /nfs/dbraw/zinc/49/68/50/1068496850.db2.gz GFPBGQOCRWWMOK-XXBNENTESA-N 1 1 455.647 4.325 20 0 JIADMO CCCCNC(=S)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001200458171 1068627433 /nfs/dbraw/zinc/62/74/33/1068627433.db2.gz GNPFSTUJWLQKGL-QFIPXVFZSA-N 1 1 474.715 4.400 20 0 JIADMO COc1cccc(F)c1N1CCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001300440770 1068713872 /nfs/dbraw/zinc/71/38/72/1068713872.db2.gz WKUVDTNFZFUAJK-UHFFFAOYSA-N 1 1 460.642 4.071 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCO[C@@H]3C(C)C)CC2)c1 ZINC001300449993 1068752493 /nfs/dbraw/zinc/75/24/93/1068752493.db2.gz CQEQAXBDNVGLGI-ATIYNZHBSA-N 1 1 499.700 4.137 20 0 JIADMO COc1cccc(CNC(=S)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)c1OC ZINC001200511781 1068800181 /nfs/dbraw/zinc/80/01/81/1068800181.db2.gz JFVPSKMHAXJWSE-CEWLAPEOSA-N 1 1 459.681 4.372 20 0 JIADMO COc1ccccc1-c1nnc(N(C)C[C@H]2CCCCO2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001300471183 1068812494 /nfs/dbraw/zinc/81/24/94/1068812494.db2.gz SUKZWTQEINLVFT-FGZHOGPDSA-N 1 1 455.647 4.471 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CCc2nccs2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001300476511 1068826487 /nfs/dbraw/zinc/82/64/87/1068826487.db2.gz ZFGBKUZBNSRLQI-IBGZPJMESA-N 1 1 454.644 4.354 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(CCCO)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001300485637 1068845032 /nfs/dbraw/zinc/84/50/32/1068845032.db2.gz IOOBNSGGLCYDEI-UHFFFAOYSA-N 1 1 455.647 4.065 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001300492190 1068857856 /nfs/dbraw/zinc/85/78/56/1068857856.db2.gz QMOBFHAKIMSPEB-QGZVFWFLSA-N 1 1 480.440 4.090 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001300494154 1068861935 /nfs/dbraw/zinc/86/19/35/1068861935.db2.gz LGKKXZUCMRKLMV-RTBURBONSA-N 1 1 481.563 4.233 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001300496236 1068864520 /nfs/dbraw/zinc/86/45/20/1068864520.db2.gz GFVXNWMACBVLRG-BKMJKUGQSA-N 1 1 455.647 4.470 20 0 JIADMO C=Cc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC001359169281 1068880184 /nfs/dbraw/zinc/88/01/84/1068880184.db2.gz BCXZECVESCIUHA-RCZVLFRGSA-N 1 1 478.685 4.393 20 0 JIADMO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001300514112 1068895938 /nfs/dbraw/zinc/89/59/38/1068895938.db2.gz XHNYZSNNVFXJEQ-VQTJNVASSA-N 1 1 494.606 4.291 20 0 JIADMO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001300526157 1068928790 /nfs/dbraw/zinc/92/87/90/1068928790.db2.gz YRRIRZRDZKTLQE-IBGZPJMESA-N 1 1 499.059 4.180 20 0 JIADMO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCOCC1(C)C ZINC001300526157 1068928801 /nfs/dbraw/zinc/92/88/01/1068928801.db2.gz YRRIRZRDZKTLQE-IBGZPJMESA-N 1 1 499.059 4.180 20 0 JIADMO COC(=O)c1ccc2c(c1)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc3ccccc3)CCC1(F)F)CCC2 ZINC001300529007 1068936145 /nfs/dbraw/zinc/93/61/45/1068936145.db2.gz LIKJFCHWJMEKJD-GMAHTHKFSA-N 1 1 456.533 4.167 20 0 JIADMO C[C@@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001354157321 1068937808 /nfs/dbraw/zinc/93/78/08/1068937808.db2.gz RJLNSIGJRUYQAR-QDPGVEIFSA-N 1 1 457.618 4.338 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)[C@H]2CCC[C@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001300533470 1068949545 /nfs/dbraw/zinc/94/95/45/1068949545.db2.gz WVILQTWBKSDTBL-UNMCSNQZSA-N 1 1 455.647 4.003 20 0 JIADMO O=C(C1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001200585234 1068955303 /nfs/dbraw/zinc/95/53/03/1068955303.db2.gz MXWKMUKOJDWDTC-UHFFFAOYSA-N 1 1 475.033 4.232 20 0 JIADMO C[C@@H](CNC(=O)c1cc(I)cc(C(F)(F)F)c1)[N@H+]1CCCC[C@@H]1C ZINC001354196836 1068968286 /nfs/dbraw/zinc/96/82/86/1068968286.db2.gz SPBBRCOHRWHBCF-RYUDHWBXSA-N 1 1 454.274 4.303 20 0 JIADMO C[N@H+]1CCC[C@@H](CNC(=O)c2cnnn2-c2cccc(Cl)c2Cl)[C@H]1c1cccs1 ZINC001354210051 1068980710 /nfs/dbraw/zinc/98/07/10/1068980710.db2.gz NIUZRZJIODGNJD-DJJJIMSYSA-N 1 1 450.395 4.449 20 0 JIADMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)[C@@H]1c1cccs1 ZINC001354211727 1068981870 /nfs/dbraw/zinc/98/18/70/1068981870.db2.gz YVYCHXLWCBYTRP-HBGVWJBISA-N 1 1 459.612 4.375 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCC(C)(C)C ZINC001492587399 1069024438 /nfs/dbraw/zinc/02/44/38/1069024438.db2.gz OMZJDFNWGMQKIM-AREMUKBSSA-N 1 1 496.744 4.235 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@](C)(OC)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001300562327 1069036643 /nfs/dbraw/zinc/03/66/43/1069036643.db2.gz JKBUZFBDHMONBN-GJZUVCINSA-N 1 1 455.647 4.003 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCCn1cc[nH+]c1C ZINC001300563301 1069040508 /nfs/dbraw/zinc/04/05/08/1069040508.db2.gz QAGQOHMFSGJNTI-JOCHJYFZSA-N 1 1 466.630 4.257 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cn1 ZINC000849482081 1069050251 /nfs/dbraw/zinc/05/02/51/1069050251.db2.gz PUJYMLDHTVOWNH-FCHUYYIVSA-N 1 1 485.510 4.365 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849482604 1069051960 /nfs/dbraw/zinc/05/19/60/1069051960.db2.gz RWYAJEVUZJTIKJ-IZLXSDGUSA-N 1 1 485.676 4.168 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3nc4ccccc4s3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849482823 1069052015 /nfs/dbraw/zinc/05/20/15/1069052015.db2.gz TVRLXJFWLWHEOA-SFTDATJTSA-N 1 1 451.640 4.250 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849485950 1069052885 /nfs/dbraw/zinc/05/28/85/1069052885.db2.gz ZDSFXLBAOYCPTH-HLAWJBBLSA-N 1 1 451.640 4.250 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cn1 ZINC000849487894 1069053725 /nfs/dbraw/zinc/05/37/25/1069053725.db2.gz AYLRZVHURWLSHM-SJORKVTESA-N 1 1 464.422 4.448 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCCCCCC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300566881 1069058723 /nfs/dbraw/zinc/05/87/23/1069058723.db2.gz FZOVCEKDOXXYIA-QHCPKHFHSA-N 1 1 455.647 4.005 20 0 JIADMO Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849492403 1069059611 /nfs/dbraw/zinc/05/96/11/1069059611.db2.gz FAZGJGHCFOUQLQ-XZOQPEGZSA-N 1 1 475.641 4.166 20 0 JIADMO COc1ccc(-c2csc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)cc1OC ZINC000849491871 1069060282 /nfs/dbraw/zinc/06/02/82/1069060282.db2.gz UYNBSCNUHYLYSZ-OALUTQOASA-N 1 1 469.611 4.013 20 0 JIADMO Cc1sc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)nc1-c1ccc(OC(F)F)cc1 ZINC000849492034 1069060365 /nfs/dbraw/zinc/06/03/65/1069060365.db2.gz PKFOZJREXDFERE-ZWKOTPCHSA-N 1 1 461.538 4.127 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@@H]2C)OCCO4)[C@@H](c2cnn(C)c2)C1 ZINC000849492600 1069062706 /nfs/dbraw/zinc/06/27/06/1069062706.db2.gz SFFFXANDUANYRT-ODGPQVTHSA-N 1 1 492.664 4.420 20 0 JIADMO COc1c(Br)cc(Cl)cc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849493798 1069064777 /nfs/dbraw/zinc/06/47/77/1069064777.db2.gz ZVCAEEHJVSXGRS-HOTGVXAUSA-N 1 1 469.811 4.297 20 0 JIADMO Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849498578 1069070546 /nfs/dbraw/zinc/07/05/46/1069070546.db2.gz SDPLWJSSJGCWSE-LADGPHEKSA-N 1 1 459.594 4.433 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849499611 1069071217 /nfs/dbraw/zinc/07/12/17/1069071217.db2.gz XGAKKWMAIOBLCR-CLJLJLNGSA-N 1 1 464.585 4.269 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](COc2ccccc2F)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849499741 1069071397 /nfs/dbraw/zinc/07/13/97/1069071397.db2.gz FHPQFHKEAZUCEZ-SONWIMMPSA-N 1 1 464.585 4.310 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849500386 1069072078 /nfs/dbraw/zinc/07/20/78/1069072078.db2.gz HSYBYZRNIBKPQQ-JIMJEQGWSA-N 1 1 491.705 4.211 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849502318 1069073982 /nfs/dbraw/zinc/07/39/82/1069073982.db2.gz PVRRWKHHWOHNAH-PMACEKPBSA-N 1 1 470.511 4.290 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849502241 1069075870 /nfs/dbraw/zinc/07/58/70/1069075870.db2.gz ZKMWKBSYRKGVFA-CVEARBPZSA-N 1 1 458.456 4.076 20 0 JIADMO CCOc1ccccc1Oc1ccc(CNC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cn1 ZINC000849502692 1069078736 /nfs/dbraw/zinc/07/87/36/1069078736.db2.gz DRGGTHIZFGZWNR-GOTSBHOMSA-N 1 1 477.609 4.136 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccccc2CN2CCc3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849504351 1069080499 /nfs/dbraw/zinc/08/04/99/1069080499.db2.gz OQQBZYTVOTZNSY-DQEYMECFSA-N 1 1 457.622 4.435 20 0 JIADMO COc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cc1NC(=O)c1ccc(Cl)cc1F ZINC000849503805 1069082524 /nfs/dbraw/zinc/08/25/24/1069082524.db2.gz LGUNPPYKTWRHNG-QUCCMNQESA-N 1 1 499.974 4.148 20 0 JIADMO Cc1ccccc1[C@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCO1 ZINC001492574755 1069083841 /nfs/dbraw/zinc/08/38/41/1069083841.db2.gz ZGLPADFFIZQENZ-LADGPHEKSA-N 1 1 469.674 4.254 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849505368 1069084259 /nfs/dbraw/zinc/08/42/59/1069084259.db2.gz SEFPZGZKGZCCNG-XZZVZQAVSA-N 1 1 461.610 4.085 20 0 JIADMO Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849505034 1069085367 /nfs/dbraw/zinc/08/53/67/1069085367.db2.gz RDDAHGCVQMFKEA-ZEQRLZLVSA-N 1 1 465.642 4.244 20 0 JIADMO Cc1cc(Cc2cnc(NC(=O)[C@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)s2)ccc1Br ZINC000849507022 1069087988 /nfs/dbraw/zinc/08/79/88/1069087988.db2.gz YTOFTEAKYLOFPA-OALUTQOASA-N 1 1 488.455 4.212 20 0 JIADMO Cc1cc(Cc2cnc(NC(=O)[C@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)s2)ccc1Br ZINC000849507023 1069088061 /nfs/dbraw/zinc/08/80/61/1069088061.db2.gz YTOFTEAKYLOFPA-RBUKOAKNSA-N 1 1 488.455 4.212 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849508187 1069088991 /nfs/dbraw/zinc/08/89/91/1069088991.db2.gz SQWWLOHDSHRDDC-XZOQPEGZSA-N 1 1 492.586 4.117 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](c2nc3ccccc3n2C)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849511577 1069096520 /nfs/dbraw/zinc/09/65/20/1069096520.db2.gz ZVYNJUJLDKTRDA-ZEVJAHDQSA-N 1 1 470.621 4.027 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849514171 1069097996 /nfs/dbraw/zinc/09/79/96/1069097996.db2.gz AEZWEHRWODGAJE-FTJBHMTQSA-N 1 1 463.601 4.040 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2cccc3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849516334 1069100807 /nfs/dbraw/zinc/10/08/07/1069100807.db2.gz JWHKMRRWGUBRQU-LOSJGSFVSA-N 1 1 456.594 4.271 20 0 JIADMO COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1OC ZINC000849516214 1069101064 /nfs/dbraw/zinc/10/10/64/1069101064.db2.gz ORYKWJASEVTVPZ-GVAUOCQISA-N 1 1 482.669 4.265 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849516356 1069101081 /nfs/dbraw/zinc/10/10/81/1069101081.db2.gz KATNRGISYSDGMY-MSOLQXFVSA-N 1 1 475.424 4.424 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849516293 1069101751 /nfs/dbraw/zinc/10/17/51/1069101751.db2.gz HMMCAVRMGFXUSW-QUURXOELSA-N 1 1 473.621 4.364 20 0 JIADMO 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 1069105320 /nfs/dbraw/zinc/10/53/20/1069105320.db2.gz ANUOAMVCCFIXME-WOJBJXKFSA-N 1 1 493.574 4.129 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)cn1 ZINC000849517761 1069106108 /nfs/dbraw/zinc/10/61/08/1069106108.db2.gz VANWFBBMHDHOHJ-YADHBBJMSA-N 1 1 473.459 4.280 20 0 JIADMO Cc1ccccc1-n1nc(-c2ccccc2)cc1NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849517850 1069106738 /nfs/dbraw/zinc/10/67/38/1069106738.db2.gz PIPMYIZILGYNCM-GOTSBHOMSA-N 1 1 454.578 4.255 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849517504 1069108101 /nfs/dbraw/zinc/10/81/01/1069108101.db2.gz CYMGCXPNLOGRKJ-XZOQPEGZSA-N 1 1 481.641 4.018 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849520426 1069111288 /nfs/dbraw/zinc/11/12/88/1069111288.db2.gz ZHDXHNBWLUSHDD-GOTSBHOMSA-N 1 1 458.566 4.318 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)cn1 ZINC000849520092 1069111721 /nfs/dbraw/zinc/11/17/21/1069111721.db2.gz XRWZTLPVBKJHAA-PMACEKPBSA-N 1 1 455.006 4.231 20 0 JIADMO COc1cccc(Cc2nnc(NC(=O)NCc3ccccc3C[NH+]3C[C@@H](C)O[C@H](C)C3)s2)c1 ZINC000504190094 1069112776 /nfs/dbraw/zinc/11/27/76/1069112776.db2.gz LXVIUOGWZVGINF-QZTJIDSGSA-N 1 1 481.622 4.068 20 0 JIADMO COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849521234 1069112917 /nfs/dbraw/zinc/11/29/17/1069112917.db2.gz RNISFAGSBYQQTH-IZLXSDGUSA-N 1 1 490.648 4.480 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849522265 1069113965 /nfs/dbraw/zinc/11/39/65/1069113965.db2.gz KMYZYUONAFVIFA-VQTJNVASSA-N 1 1 452.628 4.050 20 0 JIADMO COc1cccc(Cn2c3ccccc3nc2NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849522086 1069114893 /nfs/dbraw/zinc/11/48/93/1069114893.db2.gz WZGICGUOHRKWKB-RPWUZVMVSA-N 1 1 486.620 4.279 20 0 JIADMO 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 1069115227 /nfs/dbraw/zinc/11/52/27/1069115227.db2.gz XFCAILSBIGFZLR-JQIUZPNUSA-N 1 1 466.626 4.038 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cn1 ZINC000849521812 1069115862 /nfs/dbraw/zinc/11/58/62/1069115862.db2.gz VHYKHDOOADURSZ-NHCUHLMSSA-N 1 1 464.532 4.325 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCSC[C@H]2C)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001300580961 1069116316 /nfs/dbraw/zinc/11/63/16/1069116316.db2.gz WBWLUOXQFPDPSU-VQTJNVASSA-N 1 1 457.688 4.330 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)cn1 ZINC000849524908 1069119358 /nfs/dbraw/zinc/11/93/58/1069119358.db2.gz KWPYEXYZVFEZRA-PKTZIBPZSA-N 1 1 499.537 4.043 20 0 JIADMO COc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849525036 1069120122 /nfs/dbraw/zinc/12/01/22/1069120122.db2.gz MFFJPLNEWVOPKP-RPWUZVMVSA-N 1 1 462.594 4.351 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849525936 1069121891 /nfs/dbraw/zinc/12/18/91/1069121891.db2.gz PRDIUZXAXRTXKC-DNQXCXABSA-N 1 1 466.626 4.324 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849525781 1069122298 /nfs/dbraw/zinc/12/22/98/1069122298.db2.gz OOTDFLHZUKJTTH-PKTZIBPZSA-N 1 1 478.666 4.159 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)CC23CCOCC3)cn1 ZINC000849533361 1069140013 /nfs/dbraw/zinc/14/00/13/1069140013.db2.gz BCIAIQWQYPSJAY-RPBOFIJWSA-N 1 1 450.627 4.274 20 0 JIADMO COc1ccccc1CN(C[C@H]1CCCO1)c1nnc(C)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300600190 1069185742 /nfs/dbraw/zinc/18/57/42/1069185742.db2.gz VKDMNXZNAJVDIA-ZFGGDYGUSA-N 1 1 455.647 4.149 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc(-c3cccc(Oc4ccccc4)c3)ns2)cn1 ZINC000849548287 1069186014 /nfs/dbraw/zinc/18/60/14/1069186014.db2.gz MQJFQUMDFRQTSY-YADHBBJMSA-N 1 1 474.590 4.405 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(C)CCOc2ccc(OCc3ccccc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849546625 1069186079 /nfs/dbraw/zinc/18/60/79/1069186079.db2.gz CQGLJBPGDHSDAV-NSOVKSMOSA-N 1 1 490.648 4.350 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849549097 1069187184 /nfs/dbraw/zinc/18/71/84/1069187184.db2.gz RNVMNQNFRXYNCV-SCZOVYFASA-N 1 1 478.662 4.322 20 0 JIADMO COc1ccc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1NC(=O)C1CCCCC1 ZINC000849548938 1069188028 /nfs/dbraw/zinc/18/80/28/1069188028.db2.gz QNIPAPAUXSDIDJ-PKTZIBPZSA-N 1 1 481.641 4.400 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCc2ccccc2COc2ccccc2Cl)cn1 ZINC000849550393 1069189113 /nfs/dbraw/zinc/18/91/13/1069189113.db2.gz DFUVDMZULAHUSN-YADHBBJMSA-N 1 1 452.986 4.004 20 0 JIADMO CN(C(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c1)c1ccccc1 ZINC000849550136 1069190827 /nfs/dbraw/zinc/19/08/27/1069190827.db2.gz CJMMYHVBAFUQIR-RTWAWAEBSA-N 1 1 465.985 4.024 20 0 JIADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC001200656286 1069190954 /nfs/dbraw/zinc/19/09/54/1069190954.db2.gz BDYAZGKNDWQNGK-QFIPXVFZSA-N 1 1 459.594 4.131 20 0 JIADMO Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)n1C ZINC000849553318 1069194772 /nfs/dbraw/zinc/19/47/72/1069194772.db2.gz RELPGMXNOTWPEA-SFTDATJTSA-N 1 1 499.457 4.344 20 0 JIADMO Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849552804 1069196280 /nfs/dbraw/zinc/19/62/80/1069196280.db2.gz GTQJALFMKYCECR-FCHUYYIVSA-N 1 1 450.549 4.176 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849554886 1069200782 /nfs/dbraw/zinc/20/07/82/1069200782.db2.gz WQNNQEYWPAGENC-DHIUTWEWSA-N 1 1 499.457 4.074 20 0 JIADMO COc1ccc(-n2c3ccccc3nc2NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849555727 1069202353 /nfs/dbraw/zinc/20/23/53/1069202353.db2.gz SMHYFTCMETXHPC-GOTSBHOMSA-N 1 1 472.593 4.220 20 0 JIADMO COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c1 ZINC000849556079 1069202714 /nfs/dbraw/zinc/20/27/14/1069202714.db2.gz VHWTYSJDEPJNHR-PVHODMMVSA-N 1 1 460.622 4.181 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)[C@@H](c2cnn(C)c2)C1 ZINC000849557056 1069203065 /nfs/dbraw/zinc/20/30/65/1069203065.db2.gz YGUZBAFLMQIJLL-DHIUTWEWSA-N 1 1 487.689 4.016 20 0 JIADMO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)Oc1ccccc1C(F)(F)F ZINC000849557893 1069205664 /nfs/dbraw/zinc/20/56/64/1069205664.db2.gz JZGURNXDDYBUOC-HSALFYBXSA-N 1 1 466.548 4.227 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cn1 ZINC000849561732 1069211713 /nfs/dbraw/zinc/21/17/13/1069211713.db2.gz KVDACUYOYUYLPC-DHIUTWEWSA-N 1 1 471.527 4.098 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849562942 1069212337 /nfs/dbraw/zinc/21/23/37/1069212337.db2.gz HYEKFMHMSNJZIL-BJKOFHAPSA-N 1 1 469.593 4.325 20 0 JIADMO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849562942 1069212370 /nfs/dbraw/zinc/21/23/70/1069212370.db2.gz HYEKFMHMSNJZIL-BJKOFHAPSA-N 1 1 469.593 4.325 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849562942 1069212389 /nfs/dbraw/zinc/21/23/89/1069212389.db2.gz HYEKFMHMSNJZIL-BJKOFHAPSA-N 1 1 469.593 4.325 20 0 JIADMO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849562942 1069212420 /nfs/dbraw/zinc/21/24/20/1069212420.db2.gz HYEKFMHMSNJZIL-BJKOFHAPSA-N 1 1 469.593 4.325 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849562942 1069212449 /nfs/dbraw/zinc/21/24/49/1069212449.db2.gz HYEKFMHMSNJZIL-BJKOFHAPSA-N 1 1 469.593 4.325 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001300609993 1069213803 /nfs/dbraw/zinc/21/38/03/1069213803.db2.gz JAYVLELFVPUVOK-UHFFFAOYSA-N 1 1 498.672 4.132 20 0 JIADMO COc1ccccc1CSc1ccccc1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849565959 1069217096 /nfs/dbraw/zinc/21/70/96/1069217096.db2.gz XQFULCKSKZXYRU-SFTDATJTSA-N 1 1 450.608 4.395 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)[C@H](c2cnn(C)c2)C1 ZINC000849569438 1069219961 /nfs/dbraw/zinc/21/99/61/1069219961.db2.gz UCWOZBWDHPHQTL-VXKWHMMOSA-N 1 1 472.058 4.370 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(Cc3ccccc3)c3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849568880 1069220340 /nfs/dbraw/zinc/22/03/40/1069220340.db2.gz QKPCMHGMOSPTQI-DQEYMECFSA-N 1 1 457.622 4.287 20 0 JIADMO C[N@H+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C2(CCCCC2)C1 ZINC001354440684 1069223463 /nfs/dbraw/zinc/22/34/63/1069223463.db2.gz JGKPBCXZWNTAJJ-GOSISDBHSA-N 1 1 452.426 4.323 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)[C@@H](c2cnn(C)c2)C1 ZINC000849573936 1069225221 /nfs/dbraw/zinc/22/52/21/1069225221.db2.gz VIJNYDBWINQEQV-JBRSBNLGSA-N 1 1 466.029 4.383 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@H]2OC)CC1 ZINC001300614567 1069225515 /nfs/dbraw/zinc/22/55/15/1069225515.db2.gz FFVFARGRPMBHJU-JTHBVZDNSA-N 1 1 455.647 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCCCc3c(Br)cccc32)[C@H](c2cnn(C)c2)C1 ZINC000849573708 1069225894 /nfs/dbraw/zinc/22/58/94/1069225894.db2.gz RVWWGAHLYOEWIG-QUCCMNQESA-N 1 1 459.432 4.366 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)[C@H](c2cnn(C)c2)C1 ZINC000849575435 1069226322 /nfs/dbraw/zinc/22/63/22/1069226322.db2.gz DARQMJMZNHKQJN-SFTDATJTSA-N 1 1 467.614 4.170 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849575273 1069226895 /nfs/dbraw/zinc/22/68/95/1069226895.db2.gz ZSSXPULVUOIZDH-ZEQRLZLVSA-N 1 1 492.495 4.322 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)[C@@H](c2cnn(C)c2)C1 ZINC000849575076 1069227137 /nfs/dbraw/zinc/22/71/37/1069227137.db2.gz BLFYGCCPCZRMPC-FDFHNCONSA-N 1 1 475.033 4.474 20 0 JIADMO CCC(CC)(CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(OC)c(OC)c1 ZINC000849576357 1069228537 /nfs/dbraw/zinc/22/85/37/1069228537.db2.gz CUMBHVIUBCOOTD-DHIUTWEWSA-N 1 1 470.658 4.125 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)[C@H](c2cnn(C)c2)C1 ZINC000849579255 1069229777 /nfs/dbraw/zinc/22/97/77/1069229777.db2.gz WLZOMTFUNZZDRT-PMACEKPBSA-N 1 1 463.607 4.420 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(c3ccccc3Br)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849581332 1069231698 /nfs/dbraw/zinc/23/16/98/1069231698.db2.gz GOVVRPIJJBAXGX-YADHBBJMSA-N 1 1 473.459 4.403 20 0 JIADMO 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 ZINC000849580737 1069232645 /nfs/dbraw/zinc/23/26/45/1069232645.db2.gz CGIVYTAXJSMKSS-NHCUHLMSSA-N 1 1 466.523 4.240 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC(C)(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849584703 1069235505 /nfs/dbraw/zinc/23/55/05/1069235505.db2.gz ZKIMLHLRQZEREJ-LEWJYISDSA-N 1 1 450.549 4.390 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)[C@H](c2cnn(C)c2)C1 ZINC000849585763 1069237259 /nfs/dbraw/zinc/23/72/59/1069237259.db2.gz AZDNBEJRTVERBM-GGAORHGYSA-N 1 1 460.626 4.411 20 0 JIADMO Cc1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c(Br)c1 ZINC000849588028 1069238927 /nfs/dbraw/zinc/23/89/27/1069238927.db2.gz ONPWPXMXNNQYIL-FGZHOGPDSA-N 1 1 485.426 4.348 20 0 JIADMO CCCC[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849587871 1069239498 /nfs/dbraw/zinc/23/94/98/1069239498.db2.gz VSPQJOXISBFTLH-GIWBLDEGSA-N 1 1 461.448 4.440 20 0 JIADMO Cc1sc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000849588411 1069239727 /nfs/dbraw/zinc/23/97/27/1069239727.db2.gz XIKKZCRDVUEDGV-NHCUHLMSSA-N 1 1 492.649 4.189 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)[C@H](c2cnn(C)c2)C1 ZINC000849590542 1069242970 /nfs/dbraw/zinc/24/29/70/1069242970.db2.gz BSLTWFGLWPSUFD-MOPGFXCFSA-N 1 1 463.598 4.050 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849592224 1069243754 /nfs/dbraw/zinc/24/37/54/1069243754.db2.gz NSRJLKYCNLGCCP-QZTJIDSGSA-N 1 1 494.543 4.290 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849595502 1069246433 /nfs/dbraw/zinc/24/64/33/1069246433.db2.gz XXWXXSLPOJVUBJ-RTWAWAEBSA-N 1 1 467.614 4.022 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC2(c3ccc(Br)s3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849595165 1069247228 /nfs/dbraw/zinc/24/72/28/1069247228.db2.gz ZWGRKYVKFXGTLW-ROUUACIJSA-N 1 1 479.488 4.296 20 0 JIADMO COCC[C@H](NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000849594873 1069247946 /nfs/dbraw/zinc/24/79/46/1069247946.db2.gz YVKQQQQSARFOEA-KNKQGSTJSA-N 1 1 467.441 4.435 20 0 JIADMO 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 ZINC000849596315 1069248758 /nfs/dbraw/zinc/24/87/58/1069248758.db2.gz OAYUZXYZJCWDST-ULLYJBBUSA-N 1 1 478.559 4.241 20 0 JIADMO 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 ZINC000849595645 1069250986 /nfs/dbraw/zinc/25/09/86/1069250986.db2.gz JTQUSZFEDIPBJZ-AIZKBTNYSA-N 1 1 478.559 4.241 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849597354 1069251982 /nfs/dbraw/zinc/25/19/82/1069251982.db2.gz SNSHPJCRCBUWHC-MOPGFXCFSA-N 1 1 478.494 4.216 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCCc2ccc(Br)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849598480 1069252846 /nfs/dbraw/zinc/25/28/46/1069252846.db2.gz ZYQJVRYRQJRECB-RBUKOAKNSA-N 1 1 467.839 4.009 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849599427 1069255264 /nfs/dbraw/zinc/25/52/64/1069255264.db2.gz NMEJWSJPHPOHPJ-QZTJIDSGSA-N 1 1 469.577 4.116 20 0 JIADMO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC001300625492 1069256651 /nfs/dbraw/zinc/25/66/51/1069256651.db2.gz YSQYEFHEFYZBRF-UHFFFAOYSA-N 1 1 457.062 4.072 20 0 JIADMO 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 ZINC000849599821 1069257205 /nfs/dbraw/zinc/25/72/05/1069257205.db2.gz DDQOHZFUDQBQQN-SDHOMARFSA-N 1 1 495.668 4.055 20 0 JIADMO 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 ZINC000849601227 1069257609 /nfs/dbraw/zinc/25/76/09/1069257609.db2.gz UKRXSHXEYXBTEN-BDTNDASRSA-N 1 1 466.548 4.147 20 0 JIADMO 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COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164630116 719090023 /nfs/dbraw/zinc/09/00/23/719090023.db2.gz VLBLTVOCMLJDKX-REWPJTCUSA-N 1 1 466.626 4.458 20 0 JIADMO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C[C@@H]3O2)n1 ZINC001164638044 719261129 /nfs/dbraw/zinc/26/11/29/719261129.db2.gz NITHGYBKOSSBPL-MZBJOSPHSA-N 1 1 470.621 4.305 20 0 JIADMO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3O2)n1 ZINC001164638044 719261130 /nfs/dbraw/zinc/26/11/30/719261130.db2.gz NITHGYBKOSSBPL-MZBJOSPHSA-N 1 1 470.621 4.305 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@@H]32)n1 ZINC001164649132 719294669 /nfs/dbraw/zinc/29/46/69/719294669.db2.gz GVZDMCPDOXPXCW-IMSXRSKXSA-N 1 1 481.666 4.498 20 0 JIADMO COc1ccc2nc(C(F)(F)N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nc(Cl)c2c1 ZINC001164652195 719315840 /nfs/dbraw/zinc/31/58/40/719315840.db2.gz OZRLYNUCXFNJFL-UHFFFAOYSA-N 1 1 464.948 4.238 20 0 JIADMO 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COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC001164696687 719847803 /nfs/dbraw/zinc/84/78/03/719847803.db2.gz AXQQTZUAICMIAE-IBVKSMDESA-N 1 1 498.986 4.322 20 0 JIADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC001164703520 719859171 /nfs/dbraw/zinc/85/91/71/719859171.db2.gz QCZURVKBNAGWSM-RXFWQSSRSA-N 1 1 480.996 4.183 20 0 JIADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC001164703397 719859308 /nfs/dbraw/zinc/85/93/08/719859308.db2.gz PRAJRLRYFWPCFJ-FNZWTVRRSA-N 1 1 498.986 4.322 20 0 JIADMO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164698390 719895171 /nfs/dbraw/zinc/89/51/71/719895171.db2.gz SCWAGFQGRXKHDC-UHFFFAOYSA-N 1 1 451.592 4.344 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)C2 ZINC001164812081 720109418 /nfs/dbraw/zinc/10/94/18/720109418.db2.gz OLXOXWSPHHNHQE-CUBQBAPOSA-N 1 1 455.606 4.390 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001164815935 720110696 /nfs/dbraw/zinc/11/06/96/720110696.db2.gz XPWXRAQIQWGRCP-VFNWGFHPSA-N 1 1 454.924 4.152 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)COc1ccnc(Cl)c1)CC2 ZINC001164718071 720116472 /nfs/dbraw/zinc/11/64/72/720116472.db2.gz RJWNGRVEOMICEY-LJQANCHMSA-N 1 1 466.960 4.105 20 0 JIADMO CCOC(=O)c1cc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc2ccccc21 ZINC001164719034 720116531 /nfs/dbraw/zinc/11/65/31/720116531.db2.gz UVYHXZGHGHAFLC-QFIPXVFZSA-N 1 1 474.605 4.314 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164719108 720116909 /nfs/dbraw/zinc/11/69/09/720116909.db2.gz WGEUOYOMKDPVSA-KRWDZBQOSA-N 1 1 454.924 4.322 20 0 JIADMO CCOc1cc2ncnc(N3CCC4(C[C@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)c2cc1OCC ZINC001164714250 720119019 /nfs/dbraw/zinc/11/90/19/720119019.db2.gz BESMJMMECJTTLM-JOCHJYFZSA-N 1 1 491.636 4.330 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001164719121 720122786 /nfs/dbraw/zinc/12/27/86/720122786.db2.gz WMQPDWNEWLKFOC-QHCPKHFHSA-N 1 1 470.061 4.233 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1ccn3Cc1ccccc1)CC2 ZINC001164714254 720122861 /nfs/dbraw/zinc/12/28/61/720122861.db2.gz BEUPBVYOIUNOFX-RUZDIDTESA-N 1 1 482.632 4.382 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(-c3ccc(N(C)C)cc3)n1)CC2 ZINC001164712485 720134082 /nfs/dbraw/zinc/13/40/82/720134082.db2.gz MSRBKYFSVLLNPG-VWLOTQADSA-N 1 1 472.637 4.112 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001164710495 720134410 /nfs/dbraw/zinc/13/44/10/720134410.db2.gz BYFRKEUHBDDULB-QGZVFWFLSA-N 1 1 486.394 4.317 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CCC2 ZINC001164812104 720219039 /nfs/dbraw/zinc/21/90/39/720219039.db2.gz DQKMHYYWLJKBBO-UHFFFAOYSA-N 1 1 497.377 4.289 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3ccccc3c(-c3ccccc3)n1)CCC2 ZINC001164813491 720222484 /nfs/dbraw/zinc/22/24/84/720222484.db2.gz MVVFWHMIBCPCRK-UHFFFAOYSA-N 1 1 454.578 4.104 20 0 JIADMO O=C1N(CC2CC2)CC[C@@]12CCCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164818847 720280974 /nfs/dbraw/zinc/28/09/74/720280974.db2.gz NXYPXKOYSLUXOL-HHHXNRCGSA-N 1 1 479.694 4.395 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)CC[C@@H]21 ZINC001164838473 720517940 /nfs/dbraw/zinc/51/79/40/720517940.db2.gz RIOVFRFOGFVMFZ-MDKPJZGXSA-N 1 1 460.960 4.402 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nc(Cc4ccccc4)n3)CC[C@@H]21 ZINC001164842028 720532085 /nfs/dbraw/zinc/53/20/85/720532085.db2.gz WEHZURIXKKLNAS-FKBYEOEOSA-N 1 1 451.018 4.295 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3ccn4Cc3cccc(F)c3)CC[C@@H]21 ZINC001164838022 720554327 /nfs/dbraw/zinc/55/43/27/720554327.db2.gz NIRHQFJNLTZQKP-VTZPFEBOSA-N 1 1 473.600 4.193 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc(Cc4ccccc4)n3)CC[C@@H]21 ZINC001164836728 720580885 /nfs/dbraw/zinc/58/08/85/720580885.db2.gz GPIYRUCKXLSWTF-PUHATCMVSA-N 1 1 451.018 4.295 20 0 JIADMO 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 720591623 /nfs/dbraw/zinc/59/16/23/720591623.db2.gz RIHWXRUKMYGUFK-FUHIMQAGSA-N 1 1 481.975 4.031 20 0 JIADMO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C2)n1)CCCC3 ZINC001164839707 720597186 /nfs/dbraw/zinc/59/71/86/720597186.db2.gz OCABFABCNUJAQO-SVFBPWRDSA-N 1 1 450.656 4.453 20 0 JIADMO CCc1nc2sc3c(c2c(N2CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C2)n1)CCC3 ZINC001164839488 720601173 /nfs/dbraw/zinc/60/11/73/720601173.db2.gz NKZDIFDFYWOWDB-QWFCFKBJSA-N 1 1 450.656 4.317 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4c(-c5ccccc5)nsc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843551 720610246 /nfs/dbraw/zinc/61/02/46/720610246.db2.gz XXQGASINUZWXBV-QHAWAJNXSA-N 1 1 459.623 4.328 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c(-c5ccccc5)nsc43)CC[C@@H]21 ZINC001164843548 720610332 /nfs/dbraw/zinc/61/03/32/720610332.db2.gz XXQGASINUZWXBV-ACRUOGEOSA-N 1 1 459.623 4.328 20 0 JIADMO COc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc(Cl)c2c1 ZINC001164838742 720615983 /nfs/dbraw/zinc/61/59/83/720615983.db2.gz LKKLTSTWSKOCRN-XGHQBKJUSA-N 1 1 490.986 4.411 20 0 JIADMO COc1ccc(Oc2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc(C)n2)cc1 ZINC001164837232 720633790 /nfs/dbraw/zinc/63/37/90/720633790.db2.gz HRXGCGGTJZXOEB-YZUZCNPQSA-N 1 1 462.598 4.160 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1Cl ZINC001164837008 720674577 /nfs/dbraw/zinc/67/45/77/720674577.db2.gz AQXVLBOALMYBPH-GOSISDBHSA-N 1 1 479.955 4.326 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccnc(NC(=O)OC(C)(C)C)n1)CC2 ZINC001164843407 720677931 /nfs/dbraw/zinc/67/79/31/720677931.db2.gz PTDJWRWQHPAZTA-HXUWFJFHSA-N 1 1 453.587 4.084 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1ncn3Cc1ccccc1F)CC2 ZINC001164841212 720699818 /nfs/dbraw/zinc/69/98/18/720699818.db2.gz IHYDEFQNLUUYBO-QHCPKHFHSA-N 1 1 486.595 4.274 20 0 JIADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842322 720704008 /nfs/dbraw/zinc/70/40/08/720704008.db2.gz YGNBZUWKWGAIPA-DEOSSOPVSA-N 1 1 487.648 4.276 20 0 JIADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840885 720704805 /nfs/dbraw/zinc/70/48/05/720704805.db2.gz RKOJPOACCYTECU-OAQYLSRUSA-N 1 1 494.636 4.113 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)CC2 ZINC001164840333 720713759 /nfs/dbraw/zinc/71/37/59/720713759.db2.gz PKGOQJPOMUMGBR-QHCPKHFHSA-N 1 1 472.589 4.175 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)CC2 ZINC001164841779 720716923 /nfs/dbraw/zinc/71/69/23/720716923.db2.gz WXNXCWJNUFWBDR-IBGZPJMESA-N 1 1 499.040 4.099 20 0 JIADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164736880 720718630 /nfs/dbraw/zinc/71/86/30/720718630.db2.gz CADZPVSSENPBCJ-TZIWHRDSSA-N 1 1 488.979 4.091 20 0 JIADMO Clc1ccc2nc(-c3ccccc3)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164744288 720719315 /nfs/dbraw/zinc/71/93/15/720719315.db2.gz ZBJSZYOQGAOLQF-VQTJNVASSA-N 1 1 458.953 4.082 20 0 JIADMO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737929 720719334 /nfs/dbraw/zinc/71/93/34/720719334.db2.gz HTQJQSBIQFSEMS-WOJBJXKFSA-N 1 1 458.953 4.082 20 0 JIADMO CC[C@@H]1N(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)CCC[C@@]12CCC(=O)N2 ZINC001164846490 720755063 /nfs/dbraw/zinc/75/50/63/720755063.db2.gz JFBVXJLSGHLCQK-ZZTRNUCDSA-N 1 1 467.683 4.440 20 0 JIADMO CC[C@H]1N(c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)CCC[C@]12CCC(=O)N2 ZINC001164845082 720755203 /nfs/dbraw/zinc/75/52/03/720755203.db2.gz DHSHRRYZCLADIN-IBVKSMDESA-N 1 1 467.683 4.440 20 0 JIADMO CC[C@@H]1N(c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)CCC[C@@]12CCC(=O)N2 ZINC001164845083 720755798 /nfs/dbraw/zinc/75/57/98/720755798.db2.gz DHSHRRYZCLADIN-RXFWQSSRSA-N 1 1 467.683 4.440 20 0 JIADMO c1sc2nc(C3CC3)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164738511 720782738 /nfs/dbraw/zinc/78/27/38/720782738.db2.gz FVYBXNCJJZSWBG-UXHICEINSA-N 1 1 470.602 4.368 20 0 JIADMO Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164748321 720806627 /nfs/dbraw/zinc/80/66/27/720806627.db2.gz QSZBVRCXVVRMIA-VQTJNVASSA-N 1 1 471.939 4.387 20 0 JIADMO Cc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164748321 720806631 /nfs/dbraw/zinc/80/66/31/720806631.db2.gz QSZBVRCXVVRMIA-VQTJNVASSA-N 1 1 471.939 4.387 20 0 JIADMO COC[C@]12CCCO[C@H]1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164846728 720828289 /nfs/dbraw/zinc/82/82/89/720828289.db2.gz GDUNHISWWYEUOF-JJHGTGHCSA-N 1 1 470.683 4.434 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)nc4ccc(Cl)cc43)CC[C@@H]2C1 ZINC001164853840 720844777 /nfs/dbraw/zinc/84/47/77/720844777.db2.gz PSFZVPWJKJAIPM-WZONZLPQSA-N 1 1 470.976 4.263 20 0 JIADMO c1ncn(C[C@H]2C[C@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746597 720845019 /nfs/dbraw/zinc/84/50/19/720845019.db2.gz PBQBFQWXWGFCCB-VYKTZEHYSA-N 1 1 479.632 4.192 20 0 JIADMO c1ncn(C[C@@H]2C[C@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746595 720845205 /nfs/dbraw/zinc/84/52/05/720845205.db2.gz PBQBFQWXWGFCCB-IBGGVINMSA-N 1 1 479.632 4.192 20 0 JIADMO FC(F)c1nc2ccc(Cl)cc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746064 720855489 /nfs/dbraw/zinc/85/54/89/720855489.db2.gz FOCIQFWBPJTKOA-OXFYSEKESA-N 1 1 473.959 4.192 20 0 JIADMO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164747015 720856334 /nfs/dbraw/zinc/85/63/34/720856334.db2.gz HMFGEIPEUOMPJO-KTIWRFAQSA-N 1 1 492.071 4.309 20 0 JIADMO Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164750238 720858618 /nfs/dbraw/zinc/85/86/18/720858618.db2.gz OXGYTWQXXLKQLG-QWFCFKBJSA-N 1 1 483.979 4.032 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4)nc4cc(Cl)ccc43)CC[C@@H]2C1 ZINC001164852007 720862582 /nfs/dbraw/zinc/86/25/82/720862582.db2.gz BOGYQDJMJOIVSU-XXBNENTESA-N 1 1 452.986 4.124 20 0 JIADMO FC(F)(c1cccnc1Cl)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749652 720870670 /nfs/dbraw/zinc/87/06/70/720870670.db2.gz HPHZQAXDCOLHJB-OFNKIYASSA-N 1 1 462.972 4.430 20 0 JIADMO CC(C)(C)OC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164753011 720876438 /nfs/dbraw/zinc/87/64/38/720876438.db2.gz OLRMWCQKBXWGLH-YWEHKCAJSA-N 1 1 478.637 4.187 20 0 JIADMO CSc1nc(Cl)ncc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757868 720889762 /nfs/dbraw/zinc/88/97/62/720889762.db2.gz VZUMKYAGLCJAFX-CVDCTZTESA-N 1 1 460.047 4.002 20 0 JIADMO CCOc1ccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164757420 720893321 /nfs/dbraw/zinc/89/33/21/720893321.db2.gz ULADAOKFOUYDCE-LXFBAYGMSA-N 1 1 473.621 4.179 20 0 JIADMO Clc1cccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc12 ZINC001164755390 720893711 /nfs/dbraw/zinc/89/37/11/720893711.db2.gz LUJSOLDSCHZNBE-RLWLMLJZSA-N 1 1 464.013 4.433 20 0 JIADMO COc1cccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164750966 720894102 /nfs/dbraw/zinc/89/41/02/720894102.db2.gz CITOTXZXTSATBB-JIPXPUAJSA-N 1 1 494.039 4.442 20 0 JIADMO COc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc(C)c2c1 ZINC001164756565 720895004 /nfs/dbraw/zinc/89/50/04/720895004.db2.gz QILGXOAMKOHXQN-NEKDWFFYSA-N 1 1 473.621 4.097 20 0 JIADMO c1ccc(COc2cnnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)cc1 ZINC001164758468 720895295 /nfs/dbraw/zinc/89/52/95/720895295.db2.gz YISHVVZCINPZGW-LITSAYRRSA-N 1 1 485.632 4.206 20 0 JIADMO COc1cc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2cc1OC ZINC001164757834 720895909 /nfs/dbraw/zinc/89/59/09/720895909.db2.gz VUEJIVALBAQHBB-OUTSHDOLSA-N 1 1 488.632 4.402 20 0 JIADMO Cc1nc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(Cl)c1C ZINC001164758508 720896864 /nfs/dbraw/zinc/89/68/64/720896864.db2.gz YVQIVICUIOQFGD-URXFXBBRSA-N 1 1 492.014 4.442 20 0 JIADMO CCCN(CCC)c1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757872 720898855 /nfs/dbraw/zinc/89/88/55/720898855.db2.gz WAIBCKXVBKRHFN-LEAFIULHSA-N 1 1 478.685 4.253 20 0 JIADMO CC(C)COc1cccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164756278 720902377 /nfs/dbraw/zinc/90/23/77/720902377.db2.gz PAFRFGRPMYOBPI-SQHAQQRYSA-N 1 1 450.627 4.267 20 0 JIADMO CN(C)c1ccc(-c2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164753991 720902565 /nfs/dbraw/zinc/90/25/65/720902565.db2.gz IBLCTOLUHGCRJF-YZNIXAGQSA-N 1 1 498.675 4.360 20 0 JIADMO COc1ccccc1-c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164748486 720915841 /nfs/dbraw/zinc/91/58/41/720915841.db2.gz GFKQBGFQKNLVFL-PWUYWRBVSA-N 1 1 485.632 4.302 20 0 JIADMO Cc1nc(C2CC2)nc(Cl)c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753621 720916106 /nfs/dbraw/zinc/91/61/06/720916106.db2.gz RPWUEEREVIYCEU-BKMJKUGQSA-N 1 1 468.045 4.466 20 0 JIADMO COC(=O)c1cc2ccccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748069 720916448 /nfs/dbraw/zinc/91/64/48/720916448.db2.gz FMCLANLOPUPFDG-OUTSHDOLSA-N 1 1 486.616 4.172 20 0 JIADMO Fc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cc1 ZINC001164753253 720916507 /nfs/dbraw/zinc/91/65/07/720916507.db2.gz REHKUZSDSQKVCG-RBJSKKJNSA-N 1 1 473.596 4.433 20 0 JIADMO COC(=O)c1cc2ccccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164748070 720916532 /nfs/dbraw/zinc/91/65/32/720916532.db2.gz FMCLANLOPUPFDG-PWUYWRBVSA-N 1 1 486.616 4.172 20 0 JIADMO Fc1ccccc1-c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164752738 720921789 /nfs/dbraw/zinc/92/17/89/720921789.db2.gz OPHRSFBKONWZEC-NEKDWFFYSA-N 1 1 473.596 4.433 20 0 JIADMO COC(=O)c1cccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc21 ZINC001164752304 720924745 /nfs/dbraw/zinc/92/47/45/720924745.db2.gz NVQSWABWSHVTEN-IADCTJSHSA-N 1 1 486.616 4.172 20 0 JIADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cncc(N4CCCCCC4)n2)C3)c1 ZINC001164753789 720926231 /nfs/dbraw/zinc/92/62/31/720926231.db2.gz SUZFWAWTLSTXSA-LEAFIULHSA-N 1 1 476.669 4.007 20 0 JIADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2nccc4c5c([nH]c42)CCC5)C3)c1 ZINC001164750184 720933713 /nfs/dbraw/zinc/93/37/13/720933713.db2.gz JQXDTBNTQHGSEC-RBISFHTESA-N 1 1 457.622 4.202 20 0 JIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(F)cc1C(=O)NCc1cccs1)[C@@H]2C ZINC001164862758 720977966 /nfs/dbraw/zinc/97/79/66/720977966.db2.gz UHMLQJVHCDHKCH-OAHLLOKOSA-N 1 1 491.036 4.484 20 0 JIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)[C@H]2C ZINC001164858126 720999707 /nfs/dbraw/zinc/99/97/07/720999707.db2.gz HLOOWYPWEUVRSP-HNNXBMFYSA-N 1 1 461.948 4.355 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@H]43)c2c1C ZINC001164762700 721008400 /nfs/dbraw/zinc/00/84/00/721008400.db2.gz WFTDKYMKKUDFBT-VSKRKVRLSA-N 1 1 479.650 4.109 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)n1 ZINC001164772552 721054702 /nfs/dbraw/zinc/05/47/02/721054702.db2.gz PWWSCFRABZQHSE-LEWJYISDSA-N 1 1 478.666 4.233 20 0 JIADMO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164864543 721088766 /nfs/dbraw/zinc/08/87/66/721088766.db2.gz GETQJVWXKRAPOP-SFTDATJTSA-N 1 1 481.959 4.001 20 0 JIADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865706 721097930 /nfs/dbraw/zinc/09/79/30/721097930.db2.gz OUEGAAXJURTGIE-DLBZAZTESA-N 1 1 480.346 4.356 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)nc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164772244 721110034 /nfs/dbraw/zinc/11/00/34/721110034.db2.gz UQKWGDCKDJLQCB-HUUCEWRRSA-N 1 1 467.351 4.173 20 0 JIADMO c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)CC[N@H+]3C2)c1 ZINC001164879936 721123832 /nfs/dbraw/zinc/12/38/32/721123832.db2.gz VMLURESJAFYRDW-FTJBHMTQSA-N 1 1 472.589 4.059 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)c(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164771320 721141243 /nfs/dbraw/zinc/14/12/43/721141243.db2.gz SAAVVMUXXYQOBN-HUUCEWRRSA-N 1 1 467.351 4.173 20 0 JIADMO Fc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164878366 721143914 /nfs/dbraw/zinc/14/39/14/721143914.db2.gz PXKXQSKEZLFEPM-GOTSBHOMSA-N 1 1 455.537 4.311 20 0 JIADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164877036 721144812 /nfs/dbraw/zinc/14/48/12/721144812.db2.gz OETRALBQHGDDIX-YADHBBJMSA-N 1 1 480.682 4.025 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5c(Cl)nc(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164764302 721147045 /nfs/dbraw/zinc/14/70/45/721147045.db2.gz HOUNUMZFRFHMIX-GJZGRUSLSA-N 1 1 467.351 4.173 20 0 JIADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880693 721150626 /nfs/dbraw/zinc/15/06/26/721150626.db2.gz XCRGIUOBYSXGQX-WOJBJXKFSA-N 1 1 471.939 4.217 20 0 JIADMO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880733 721172003 /nfs/dbraw/zinc/17/20/03/721172003.db2.gz XJEHEBHANDRTMX-SFTDATJTSA-N 1 1 471.939 4.217 20 0 JIADMO Clc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164878627 721184334 /nfs/dbraw/zinc/18/43/34/721184334.db2.gz QTNPKABRCYXMFK-AZUAARDMSA-N 1 1 472.376 4.450 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(-c5cccs5)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164771902 721204897 /nfs/dbraw/zinc/20/48/97/721204897.db2.gz RWUVSYINHVCOFH-CVEARBPZSA-N 1 1 464.973 4.095 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(C[C@@H](COC)N(C(=O)c4cccn4C)C3)CC2)nc1 ZINC001164870126 721225471 /nfs/dbraw/zinc/22/54/71/721225471.db2.gz FRSBNYLCDGNVAP-BJKOFHAPSA-N 1 1 479.669 4.115 20 0 JIADMO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc(C)c(C)c54)C[C@@H]32)C1=O ZINC001164872487 721232237 /nfs/dbraw/zinc/23/22/37/721232237.db2.gz LPGJYTWUGKMXQZ-BVFVYWQFSA-N 1 1 480.682 4.160 20 0 JIADMO COc1ccc(-c2cc(C(F)(F)N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164760206 721247860 /nfs/dbraw/zinc/24/78/60/721247860.db2.gz DCVOQCPEJSVQAE-RTBURBONSA-N 1 1 488.970 4.042 20 0 JIADMO CCN1CC[C@]2(CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@@H](C)C5)C[C@H]2C)C1=O ZINC001164778996 721321205 /nfs/dbraw/zinc/32/12/05/721321205.db2.gz SULIQBRUIFBWNG-UYPAYLBCSA-N 1 1 467.683 4.107 20 0 JIADMO Cc1cc2c(nc(Cl)nc2N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)s1 ZINC001164777363 721344053 /nfs/dbraw/zinc/34/40/53/721344053.db2.gz GLNMKVGJZUIMRO-JOCHJYFZSA-N 1 1 462.019 4.377 20 0 JIADMO COc1cccc2c1nc(Cl)nc2N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779034 721349522 /nfs/dbraw/zinc/34/95/22/721349522.db2.gz PCLSWRNYVCXKNH-DEOSSOPVSA-N 1 1 471.989 4.016 20 0 JIADMO COc1cccc2c1nc(Cl)nc2N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779035 721349796 /nfs/dbraw/zinc/34/97/96/721349796.db2.gz PCLSWRNYVCXKNH-XMMPIXPASA-N 1 1 471.989 4.016 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C2)C1 ZINC001164786027 721367858 /nfs/dbraw/zinc/36/78/58/721367858.db2.gz USSWAINRMZJVPA-JOCHJYFZSA-N 1 1 481.975 4.276 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C2)C1 ZINC001164786027 721367862 /nfs/dbraw/zinc/36/78/62/721367862.db2.gz USSWAINRMZJVPA-JOCHJYFZSA-N 1 1 481.975 4.276 20 0 JIADMO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164780341 721373108 /nfs/dbraw/zinc/37/31/08/721373108.db2.gz GCKBHBVIRRJXGD-AHKZPQOWSA-N 1 1 467.658 4.352 20 0 JIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164780341 721373111 /nfs/dbraw/zinc/37/31/11/721373111.db2.gz GCKBHBVIRRJXGD-AHKZPQOWSA-N 1 1 467.658 4.352 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C4CCC4)nc(Cl)c3C)C2)C1 ZINC001164785404 721374538 /nfs/dbraw/zinc/37/45/38/721374538.db2.gz SJCZPLPIECVAQV-DEOSSOPVSA-N 1 1 460.022 4.430 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C4CCC4)nc(Cl)c3C)C2)C1 ZINC001164785404 721374540 /nfs/dbraw/zinc/37/45/40/721374540.db2.gz SJCZPLPIECVAQV-DEOSSOPVSA-N 1 1 460.022 4.430 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C2)C1 ZINC001164786962 721376833 /nfs/dbraw/zinc/37/68/33/721376833.db2.gz VVLBEOWGOHKUHU-QHCPKHFHSA-N 1 1 480.987 4.492 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C2)C1 ZINC001164786962 721376837 /nfs/dbraw/zinc/37/68/37/721376837.db2.gz VVLBEOWGOHKUHU-QHCPKHFHSA-N 1 1 480.987 4.492 20 0 JIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCO[C@@]3(CCC[C@H]3COCc3ccncc3)C2)n1 ZINC001164779647 721385025 /nfs/dbraw/zinc/38/50/25/721385025.db2.gz BWDSTWSUMOZOQF-DHLKQENFSA-N 1 1 457.018 4.318 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5scc(-c6cccs6)c54)C3)O2)CC1 ZINC001164894587 721396353 /nfs/dbraw/zinc/39/63/53/721396353.db2.gz ZEPQCJJEGMNQRT-KOSHJBKYSA-N 1 1 469.680 4.185 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cccc5ccnc(Cl)c54)C3)O2)CC1 ZINC001164885714 721419715 /nfs/dbraw/zinc/41/97/15/721419715.db2.gz HBUMESHUSXEVER-AUSIDOKSSA-N 1 1 464.988 4.199 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cccc5c(Cl)nccc54)C3)O2)CC1 ZINC001164897837 721426385 /nfs/dbraw/zinc/42/63/85/721426385.db2.gz UUKFGADQZKPJFH-FDDCHVKYSA-N 1 1 464.988 4.199 20 0 JIADMO CC1CCN(Cc2nc3sc4c(c3c(N3C[C@@H]5C[NH+](Cc6nccs6)C[C@H]5C3)n2)CCC4)CC1 ZINC001164787400 721426653 /nfs/dbraw/zinc/42/66/53/721426653.db2.gz QTLGESODPWMILL-OALUTQOASA-N 1 1 494.734 4.437 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C3)O2)CC1 ZINC001164896058 721431810 /nfs/dbraw/zinc/43/18/10/721431810.db2.gz QJTCUCYYAHAEJI-LIRRHRJNSA-N 1 1 483.818 4.352 20 0 JIADMO Cc1ccc(-c2nnc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c3ccccc32)cc1 ZINC001164894261 721432127 /nfs/dbraw/zinc/43/21/27/721432127.db2.gz LHBKLHHQSSBNGE-FUFSCUOVSA-N 1 1 471.649 4.371 20 0 JIADMO COc1ccc(-c2csc3ncnc(N4CC[C@@]5(C4)CCC[C@@H](CN4CC[NH+](C)CC4)O5)c23)cc1 ZINC001164893168 721433077 /nfs/dbraw/zinc/43/30/77/721433077.db2.gz JNFOKKIJIGVMKV-WXVAWEFUSA-N 1 1 493.677 4.132 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nnc(-c5ccc(F)cc5)c5ccccc54)C3)O2)CC1 ZINC001164897754 721434854 /nfs/dbraw/zinc/43/48/54/721434854.db2.gz UPQLJUHTADVLHZ-NEKDWFFYSA-N 1 1 475.612 4.201 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccsc5)nc5ccccc54)C3)O2)CC1 ZINC001164899276 721436435 /nfs/dbraw/zinc/43/64/35/721436435.db2.gz YGPOTVSMZYXWHD-HFZDXXHNSA-N 1 1 463.651 4.124 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(-c5ccccc5)nnc4Cl)C3)O2)CC1 ZINC001164897608 721436496 /nfs/dbraw/zinc/43/64/96/721436496.db2.gz UIUYLUHWAKRTLL-HYBUGGRVSA-N 1 1 492.014 4.107 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(SCc5ccccc5)ccn4)C3)O2)CC1 ZINC001164895773 721439781 /nfs/dbraw/zinc/43/97/81/721439781.db2.gz PIQQMLVRNJDADE-JYFHCDHNSA-N 1 1 452.668 4.139 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5cccc(Cl)c5)nc5c4CCCC5)C3)O2)CC1 ZINC001164893793 721442516 /nfs/dbraw/zinc/44/25/16/721442516.db2.gz KMESDQMRYXDBMX-FIPFOOKPSA-N 1 1 496.099 4.441 20 0 JIADMO Cc1nc(CN2CC[C@@]3(CCCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)C2=O)cs1 ZINC001164886008 721461542 /nfs/dbraw/zinc/46/15/42/721461542.db2.gz GCQJVYLDOKEHQL-HSZRJFAPSA-N 1 1 460.047 4.115 20 0 JIADMO CC(C)C(=O)N1CC[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@@H](C)C5)CC[C@@H]21 ZINC001164888219 721465297 /nfs/dbraw/zinc/46/52/97/721465297.db2.gz FHJURHYRJSLRAP-DYXWJJEUSA-N 1 1 481.710 4.495 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164788742 721467801 /nfs/dbraw/zinc/46/78/01/721467801.db2.gz JIAVURCNRCHFBN-IBGZPJMESA-N 1 1 485.019 4.286 20 0 JIADMO CCOc1ccc(-c2ccc(N3CCC4(C[C@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)nn2)cc1 ZINC001164787995 721469220 /nfs/dbraw/zinc/46/92/20/721469220.db2.gz HKMVNZCTTOYQRA-XMMPIXPASA-N 1 1 480.653 4.276 20 0 JIADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792300 721494561 /nfs/dbraw/zinc/49/45/61/721494561.db2.gz NPSZENJQZRARIK-UHFFFAOYSA-N 1 1 464.944 4.343 20 0 JIADMO CCOC(=O)c1cc2ncnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2s1 ZINC001164796930 721498116 /nfs/dbraw/zinc/49/81/16/721498116.db2.gz ZLDOLRNBGSIYNC-UHFFFAOYSA-N 1 1 451.596 4.144 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1Cl ZINC001164897622 721522921 /nfs/dbraw/zinc/52/29/21/721522921.db2.gz GCVLZFBZZPLSJI-HOCLYGCPSA-N 1 1 454.329 4.046 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1Cl ZINC001164897622 721522923 /nfs/dbraw/zinc/52/29/23/721522923.db2.gz GCVLZFBZZPLSJI-HOCLYGCPSA-N 1 1 454.329 4.046 20 0 JIADMO Fc1ccc(Cn2ccc3c2ncnc3N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC001164905825 721538807 /nfs/dbraw/zinc/53/88/07/721538807.db2.gz IPNKAZUHQMBCBP-FYYLOGMGSA-N 1 1 461.516 4.100 20 0 JIADMO CSc1ccc(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1Cl ZINC001164802216 721560812 /nfs/dbraw/zinc/56/08/12/721560812.db2.gz HSKDLFHLGCXGOL-BXWFABGCSA-N 1 1 454.974 4.265 20 0 JIADMO CSc1ccc(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1Cl ZINC001164802216 721560816 /nfs/dbraw/zinc/56/08/16/721560816.db2.gz HSKDLFHLGCXGOL-BXWFABGCSA-N 1 1 454.974 4.265 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC5(C[C@@H]5C(=O)N(C)C)CC4)c32)C1 ZINC001164901563 721570649 /nfs/dbraw/zinc/57/06/49/721570649.db2.gz GCSLZQKCLZCEEZ-IEBWSBKVSA-N 1 1 467.683 4.107 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164801465 721571030 /nfs/dbraw/zinc/57/10/30/721571030.db2.gz GSHFQGRBLZGKIP-STROYTFGSA-N 1 1 486.616 4.447 20 0 JIADMO CSc1ccc(Oc2cc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)ncn2)cc1 ZINC001164799649 721571790 /nfs/dbraw/zinc/57/17/90/721571790.db2.gz DACXLZXXYASIBQ-SLSDLSHTSA-N 1 1 463.607 4.254 20 0 JIADMO CSc1ccc(Oc2cc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)ncn2)cc1 ZINC001164799649 721571793 /nfs/dbraw/zinc/57/17/93/721571793.db2.gz DACXLZXXYASIBQ-SLSDLSHTSA-N 1 1 463.607 4.254 20 0 JIADMO FC1(F)CCN(c2nc(Cl)nc3[nH]cc(Cl)c32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906000 721583988 /nfs/dbraw/zinc/58/39/88/721583988.db2.gz YJFMEJYSZZDFCI-LJQANCHMSA-N 1 1 453.324 4.397 20 0 JIADMO CCOC(=O)c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1Cl ZINC001164906273 721586486 /nfs/dbraw/zinc/58/64/86/721586486.db2.gz NBDZUONQGZPPEE-NRFANRHFSA-N 1 1 450.917 4.044 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(F)c2)[C@@H]2CCCO[C@@H]12 ZINC001164811475 721589658 /nfs/dbraw/zinc/58/96/58/721589658.db2.gz XQUJUTUOJROFPJ-CEMLEFRQSA-N 1 1 469.948 4.325 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(F)c2)[C@@H]2CCCO[C@@H]12 ZINC001164811475 721589660 /nfs/dbraw/zinc/58/96/60/721589660.db2.gz XQUJUTUOJROFPJ-CEMLEFRQSA-N 1 1 469.948 4.325 20 0 JIADMO CC(C)NC(=O)C[C@@H]1CC2(CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC2)Oc2ccccc21 ZINC001164797221 721593550 /nfs/dbraw/zinc/59/35/50/721593550.db2.gz FPKSKWCUSARVGT-JOCHJYFZSA-N 1 1 492.664 4.375 20 0 JIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)n1 ZINC001164803797 721603853 /nfs/dbraw/zinc/60/38/53/721603853.db2.gz WHKHLMYCFZHRGH-OAQYLSRUSA-N 1 1 457.018 4.428 20 0 JIADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907510 721696300 /nfs/dbraw/zinc/69/63/00/721696300.db2.gz UYULNZBNAMCHMC-QFIPXVFZSA-N 1 1 464.944 4.353 20 0 JIADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907454 721698867 /nfs/dbraw/zinc/69/88/67/721698867.db2.gz SZPFOACGCTVSOS-HXUWFJFHSA-N 1 1 486.897 4.199 20 0 JIADMO COc1cc2nc(Cl)c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2cc1OC ZINC001164907024 721707465 /nfs/dbraw/zinc/70/74/65/721707465.db2.gz PKTWKHCRZTUDPV-QHCPKHFHSA-N 1 1 489.954 4.433 20 0 JIADMO COc1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164907028 721709994 /nfs/dbraw/zinc/70/99/94/721709994.db2.gz PPDGYWCRRPLSSD-LJQANCHMSA-N 1 1 458.887 4.421 20 0 JIADMO COC(=O)c1cc2c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH]c(Cl)cc-2n1 ZINC001164908264 721715411 /nfs/dbraw/zinc/71/54/11/721715411.db2.gz WTHMQNHOJVWCMR-JOCHJYFZSA-N 1 1 475.927 4.136 20 0 JIADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905612 721717568 /nfs/dbraw/zinc/71/75/68/721717568.db2.gz HXYVYLXIMBPNMA-SANMLTNESA-N 1 1 494.590 4.148 20 0 JIADMO COC(=O)C[C@@H](c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1)C1CC1 ZINC001164906687 721721723 /nfs/dbraw/zinc/72/17/23/721721723.db2.gz NWFHFRYTLFXMSE-RCZVLFRGSA-N 1 1 470.564 4.271 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164908411 721746801 /nfs/dbraw/zinc/74/68/01/721746801.db2.gz IDGLVQJJTKVVGJ-UHFFFAOYSA-N 1 1 480.616 4.218 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164908411 721746809 /nfs/dbraw/zinc/74/68/09/721746809.db2.gz IDGLVQJJTKVVGJ-UHFFFAOYSA-N 1 1 480.616 4.218 20 0 JIADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164908998 721756039 /nfs/dbraw/zinc/75/60/39/721756039.db2.gz BQFIZPUDBTVNCE-UHFFFAOYSA-N 1 1 476.911 4.249 20 0 JIADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164908998 721756043 /nfs/dbraw/zinc/75/60/43/721756043.db2.gz BQFIZPUDBTVNCE-UHFFFAOYSA-N 1 1 476.911 4.249 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@H]3[C@H]2CC[C@@H]3OCCCn2cccn2)n1 ZINC001165015916 721781807 /nfs/dbraw/zinc/78/18/07/721781807.db2.gz BRIKZOQJKXRNEQ-DPLHUUCSSA-N 1 1 498.697 4.190 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3C(=O)NCc3ccccc3)C[C@@H]21 ZINC001165028081 721802884 /nfs/dbraw/zinc/80/28/84/721802884.db2.gz YENLJRSPYMVCBE-UCGXPXSYSA-N 1 1 455.606 4.144 20 0 JIADMO CCOC(=O)c1cc2c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001165028996 721816767 /nfs/dbraw/zinc/81/67/67/721816767.db2.gz YONHJJMRTXSGDR-APTRMMRNSA-N 1 1 461.610 4.488 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)N3CCc4ccccc43)C[C@H]21 ZINC001165026370 721823393 /nfs/dbraw/zinc/82/33/93/721823393.db2.gz PDPRCNUASNKXOE-AVPJRLCVSA-N 1 1 467.617 4.416 20 0 JIADMO COc1ccc(OC)c(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)c1 ZINC001165026778 721827004 /nfs/dbraw/zinc/82/70/04/721827004.db2.gz QFMJMBGJCNGVIH-QXWFJRNPSA-N 1 1 459.594 4.293 20 0 JIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2nc(Cl)cc(Cl)n2)CC1 ZINC001165022256 721838766 /nfs/dbraw/zinc/83/87/66/721838766.db2.gz QQJDMPQTGXDYKF-UHFFFAOYSA-N 1 1 461.340 4.446 20 0 JIADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165020282 721840955 /nfs/dbraw/zinc/84/09/55/721840955.db2.gz HHCAOSPHRIFAEQ-UHFFFAOYSA-N 1 1 483.943 4.185 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@@H]5[C@@H]4CC[N@H+]5CCN(C)C)c23)C1 ZINC001164932640 721879449 /nfs/dbraw/zinc/87/94/49/721879449.db2.gz JVKLHPMQTOYRLY-FCEUIQTBSA-N 1 1 482.742 4.017 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@@H]5[C@@H]4CCN5CC[NH+](C)C)c23)C1 ZINC001164932640 721879452 /nfs/dbraw/zinc/87/94/52/721879452.db2.gz JVKLHPMQTOYRLY-FCEUIQTBSA-N 1 1 482.742 4.017 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@@H]5[C@@H]4CCC(=O)N5C)c23)C1 ZINC001164934346 721893443 /nfs/dbraw/zinc/89/34/43/721893443.db2.gz PIXCHBDTYFMXAL-QRQLOZEOSA-N 1 1 453.656 4.002 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncccc4C(=O)NC4CCCCC4)CC3)C2)cc1 ZINC001164939592 721921929 /nfs/dbraw/zinc/92/19/29/721921929.db2.gz VHOZDZBLHXZSIU-UHFFFAOYSA-N 1 1 462.638 4.324 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4nc(Cl)cc(N5CCCC5)n4)CC3)C2)cc1 ZINC001164939371 721922934 /nfs/dbraw/zinc/92/29/34/721922934.db2.gz KNMDFIVYRPQRTF-UHFFFAOYSA-N 1 1 492.014 4.455 20 0 JIADMO COC(=O)c1cc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)cnc1Cl ZINC001164940994 721924588 /nfs/dbraw/zinc/92/45/88/721924588.db2.gz YKAIACSAPVNVHZ-UHFFFAOYSA-N 1 1 479.955 4.246 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C(=O)N5CCC[C@@H](C)C5)cn4)CC3)C2)cc1 ZINC001164938707 721930272 /nfs/dbraw/zinc/93/02/72/721930272.db2.gz FFYRVDZYOCIPPH-HSZRJFAPSA-N 1 1 462.638 4.134 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C(=O)N5CCC[C@H](C)C5)cn4)CC3)C2)cc1 ZINC001164938709 721930442 /nfs/dbraw/zinc/93/04/42/721930442.db2.gz FFYRVDZYOCIPPH-QHCPKHFHSA-N 1 1 462.638 4.134 20 0 JIADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939568 721930816 /nfs/dbraw/zinc/93/08/16/721930816.db2.gz MMBVUAZLHFHSRO-UHFFFAOYSA-N 1 1 479.955 4.246 20 0 JIADMO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]12 ZINC001164946192 721965884 /nfs/dbraw/zinc/96/58/84/721965884.db2.gz MFZQISSNALNRSZ-MFMCTBQISA-N 1 1 466.629 4.409 20 0 JIADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nnc(Cc3ccccc3)c3ccccc31)CC2 ZINC001164947726 721978264 /nfs/dbraw/zinc/97/82/64/721978264.db2.gz RPCGDYVFVVXNGK-UHFFFAOYSA-N 1 1 477.612 4.192 20 0 JIADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nnc(Cc3ccccc3)c3ccccc31)CC2 ZINC001164947726 721978266 /nfs/dbraw/zinc/97/82/66/721978266.db2.gz RPCGDYVFVVXNGK-UHFFFAOYSA-N 1 1 477.612 4.192 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@H]3[C@H]2CC[C@@H]3Oc2ncccc2F)n1 ZINC001164957079 722029437 /nfs/dbraw/zinc/02/94/37/722029437.db2.gz LBVPPUFOKPAZEZ-DXIQSLLYSA-N 1 1 485.629 4.499 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)n1 ZINC001164956309 722035028 /nfs/dbraw/zinc/03/50/28/722035028.db2.gz DNBUQPGXVQJRLR-RBISFHTESA-N 1 1 498.656 4.348 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)n1 ZINC001164958602 722048806 /nfs/dbraw/zinc/04/88/06/722048806.db2.gz OQGRXXQXBVCXHT-AZUAARDMSA-N 1 1 473.602 4.364 20 0 JIADMO Clc1cc2c(Cl)ccnc2c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164963847 722055872 /nfs/dbraw/zinc/05/58/72/722055872.db2.gz NRYFTISGOUMJMX-UHFFFAOYSA-N 1 1 458.393 4.451 20 0 JIADMO COc1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c2cc(Cl)ccc12 ZINC001164964008 722056385 /nfs/dbraw/zinc/05/63/85/722056385.db2.gz QTXHXMZRPVNNQR-UHFFFAOYSA-N 1 1 452.986 4.411 20 0 JIADMO FC(F)(c1cccc2c(Cl)ncnc21)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960005 722060231 /nfs/dbraw/zinc/06/02/31/722060231.db2.gz CKRYCOHVYXLCCL-UHFFFAOYSA-N 1 1 473.955 4.342 20 0 JIADMO O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164966007 722065362 /nfs/dbraw/zinc/06/53/62/722065362.db2.gz NDZQBPRKTKOMBE-RBUKOAKNSA-N 1 1 494.690 4.116 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@@H]3C2)nc1 ZINC001164969783 722082491 /nfs/dbraw/zinc/08/24/91/722082491.db2.gz SNXKDGDVSCZZPY-UBFVSLLYSA-N 1 1 466.601 4.022 20 0 JIADMO O=C(NC1CCC1)C1C[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@@H]2C1 ZINC001164969803 722085476 /nfs/dbraw/zinc/08/54/76/722085476.db2.gz ADYVIVKVQIYTHI-OALUTQOASA-N 1 1 479.694 4.297 20 0 JIADMO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164981036 722118566 /nfs/dbraw/zinc/11/85/66/722118566.db2.gz SBWJTTNUAXDUPJ-YKSBVNFPSA-N 1 1 495.986 4.249 20 0 JIADMO Cc1nc2sc3c(c2c(N2CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C2)n1)CCCCC3 ZINC001164982184 722142232 /nfs/dbraw/zinc/14/22/32/722142232.db2.gz RHGYWQRESKCATA-UNMCSNQZSA-N 1 1 463.651 4.391 20 0 JIADMO Fc1ccc(-c2nc(Cl)cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164985559 722146486 /nfs/dbraw/zinc/14/64/86/722146486.db2.gz ZUTVREFUQIIBAH-FPOVZHCZSA-N 1 1 453.949 4.058 20 0 JIADMO Fc1ccc(-c2nc(Cl)cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164985562 722146625 /nfs/dbraw/zinc/14/66/25/722146625.db2.gz ZUTVREFUQIIBAH-TZIWHRDSSA-N 1 1 453.949 4.058 20 0 JIADMO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981502 722146923 /nfs/dbraw/zinc/14/69/23/722146923.db2.gz PDPPHYSARDVLEK-AUSIDOKSSA-N 1 1 453.949 4.058 20 0 JIADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164972784 722156080 /nfs/dbraw/zinc/15/60/80/722156080.db2.gz JPKLPAFBXLDWKI-AUSIDOKSSA-N 1 1 481.984 4.053 20 0 JIADMO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977856 722159117 /nfs/dbraw/zinc/15/91/17/722159117.db2.gz YWXNSCJECPELDM-VGOFRKELSA-N 1 1 456.949 4.158 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@]4(C3)c3ccccc3N(C)C4=O)c2c1C ZINC001164981202 722162512 /nfs/dbraw/zinc/16/25/12/722162512.db2.gz PLJRDSUJOLCMNJ-SANMLTNESA-N 1 1 461.635 4.419 20 0 JIADMO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)CC[C@H]32)cs1 ZINC001164986252 722179309 /nfs/dbraw/zinc/17/93/09/722179309.db2.gz JNGDPPTZFIIQKW-KAYWLYCHSA-N 1 1 489.689 4.275 20 0 JIADMO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]cnc5c4ccn5Cc4ccccc4)CC[C@H]32)cs1 ZINC001164985870 722183088 /nfs/dbraw/zinc/18/30/88/722183088.db2.gz BZCIFPFFWUGTQT-DNQXCXABSA-N 1 1 474.634 4.114 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc1 ZINC001164986767 722186302 /nfs/dbraw/zinc/18/63/02/722186302.db2.gz GLRBIJDHBPHOEJ-SGNDLWITSA-N 1 1 455.672 4.263 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)n1 ZINC001164995843 722199091 /nfs/dbraw/zinc/19/90/91/722199091.db2.gz YQGVHQOOQJJSLQ-NRFANRHFSA-N 1 1 453.892 4.451 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)n1 ZINC001164995843 722199092 /nfs/dbraw/zinc/19/90/92/722199092.db2.gz YQGVHQOOQJJSLQ-NRFANRHFSA-N 1 1 453.892 4.451 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC[C@H](C(F)F)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001300645607 1069318290 /nfs/dbraw/zinc/31/82/90/1069318290.db2.gz AIBGDUCEYMMWHR-MOPGFXCFSA-N 1 1 463.573 4.079 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001300647092 1069323041 /nfs/dbraw/zinc/32/30/41/1069323041.db2.gz AUYXYIBSNSCONO-VXKWHMMOSA-N 1 1 485.673 4.382 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CC[C@H](F)C1 ZINC001300652038 1069338384 /nfs/dbraw/zinc/33/83/84/1069338384.db2.gz JRUJVRJAERAHGT-UXHICEINSA-N 1 1 459.610 4.315 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001300652040 1069338567 /nfs/dbraw/zinc/33/85/67/1069338567.db2.gz JRUJVRJAERAHGT-VQTJNVASSA-N 1 1 459.610 4.315 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC(C)(C)OC ZINC001300677545 1069431976 /nfs/dbraw/zinc/43/19/76/1069431976.db2.gz QBGFHBIICXGTGE-UHFFFAOYSA-N 1 1 461.676 4.315 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001359354571 1069439838 /nfs/dbraw/zinc/43/98/38/1069439838.db2.gz RBXOZSYWDYDMTP-NFBKMPQASA-N 1 1 496.700 4.041 20 0 JIADMO CC(=O)N1CCC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001359369610 1069471751 /nfs/dbraw/zinc/47/17/51/1069471751.db2.gz DCJNQUZPMUOQDG-HXUWFJFHSA-N 1 1 473.065 4.168 20 0 JIADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCC3=CCCCC3)C[C@@H]2C)CC1 ZINC001359380836 1069485684 /nfs/dbraw/zinc/48/56/84/1069485684.db2.gz TZJNJCURFMYTOA-XUZZJYLKSA-N 1 1 470.706 4.136 20 0 JIADMO CC(C)=CCCn1c(-c2ccccc2Cl)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001359380615 1069485700 /nfs/dbraw/zinc/48/57/00/1069485700.db2.gz PHZKFCQQLMQGEO-GBXCKJPGSA-N 1 1 485.076 4.334 20 0 JIADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CC3(CC(C)C)CC3)C[C@H]2C)CC1 ZINC001359380469 1069485155 /nfs/dbraw/zinc/48/51/55/1069485155.db2.gz MNICDTFTMJSDRN-GGAORHGYSA-N 1 1 472.722 4.072 20 0 JIADMO CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC001359385127 1069491467 /nfs/dbraw/zinc/49/14/67/1069491467.db2.gz RLXJZAYWHLSYCJ-QHAWAJNXSA-N 1 1 487.092 4.414 20 0 JIADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2CCC[N@H+](C(C)C)C2)[C@H](C)C1 ZINC001359386186 1069494740 /nfs/dbraw/zinc/49/47/40/1069494740.db2.gz VYUHDSCMJIXDCN-MJGOQNOKSA-N 1 1 493.483 4.429 20 0 JIADMO CC(=O)Nc1ccc(CCn2c(N3CC[NH+](Cc4cccs4)CC3)nnc2C(C)(C)C)cc1 ZINC001359404490 1069510174 /nfs/dbraw/zinc/51/01/74/1069510174.db2.gz OWXRDOSTEUKFPD-UHFFFAOYSA-N 1 1 466.655 4.160 20 0 JIADMO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001359423224 1069547528 /nfs/dbraw/zinc/54/75/28/1069547528.db2.gz DYINJLTWNLPPOW-XMMPIXPASA-N 1 1 496.700 4.233 20 0 JIADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccc(C)o2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359463593 1069587551 /nfs/dbraw/zinc/58/75/51/1069587551.db2.gz QWVHNQSHSRNUAL-OALUTQOASA-N 1 1 498.697 4.480 20 0 JIADMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359481333 1069656130 /nfs/dbraw/zinc/65/61/30/1069656130.db2.gz JJLSPBWZLMMEBZ-WOJBJXKFSA-N 1 1 498.697 4.016 20 0 JIADMO CC(C)(C)c1ccc(-c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CCSC(F)(F)F)cc1 ZINC001359497091 1069735389 /nfs/dbraw/zinc/73/53/89/1069735389.db2.gz GTMLDVLUKPDABH-SFHVURJKSA-N 1 1 469.577 4.016 20 0 JIADMO CC(C)(C)c1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CCSC(F)(F)F)cc1 ZINC001359497091 1069735402 /nfs/dbraw/zinc/73/54/02/1069735402.db2.gz GTMLDVLUKPDABH-SFHVURJKSA-N 1 1 469.577 4.016 20 0 JIADMO CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@@H]2CO)CCO1 ZINC001359522192 1069810108 /nfs/dbraw/zinc/81/01/08/1069810108.db2.gz OCAMGJDYLFDOLF-DENIHFKCSA-N 1 1 494.055 4.226 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001359534777 1069828237 /nfs/dbraw/zinc/82/82/37/1069828237.db2.gz COVTXLUKHQAXHA-QHCPKHFHSA-N 1 1 496.700 4.419 20 0 JIADMO 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 1069846141 /nfs/dbraw/zinc/84/61/41/1069846141.db2.gz KYIKQGHWXZTHRD-SQGPQFPESA-N 1 1 479.467 4.017 20 0 JIADMO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001300794937 1069846649 /nfs/dbraw/zinc/84/66/49/1069846649.db2.gz LSPONKSUANUJIK-DYESRHJHSA-N 1 1 487.446 4.029 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc(C3(c4ccccc4)CCC3)n2CCSCCCO)CC1 ZINC001359547454 1069853068 /nfs/dbraw/zinc/85/30/68/1069853068.db2.gz QBNIXCCVROCTGT-UHFFFAOYSA-N 1 1 471.715 4.174 20 0 JIADMO CC(C)(C)OC(=O)NCCCn1c(-c2ccccc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001359571293 1069941628 /nfs/dbraw/zinc/94/16/28/1069941628.db2.gz BIVZSBRJRFAZQV-UHFFFAOYSA-N 1 1 482.654 4.244 20 0 JIADMO CC(C)(C)OC(=O)NCCn1c(C2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001359574166 1069959103 /nfs/dbraw/zinc/95/91/03/1069959103.db2.gz PVZITOKQKAVPNH-UHFFFAOYSA-N 1 1 486.636 4.312 20 0 JIADMO CC(C)(C)O[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001359579499 1069995865 /nfs/dbraw/zinc/99/58/65/1069995865.db2.gz MARZGRLGHUXNLD-LEWJYISDSA-N 1 1 473.637 4.105 20 0 JIADMO CC(C)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC001359594042 1070039596 /nfs/dbraw/zinc/03/95/96/1070039596.db2.gz LQLPEFJHNROQEW-OAHLLOKOSA-N 1 1 489.945 4.485 20 0 JIADMO CC(C)(Cn1c(-c2ccc(Br)cc2)nnc1N1CCCC1(C)C)[NH+]1CCOCC1 ZINC001359594200 1070040525 /nfs/dbraw/zinc/04/05/25/1070040525.db2.gz RNZXSSIZZYFHHR-UHFFFAOYSA-N 1 1 462.436 4.197 20 0 JIADMO CC(C)(O)Cn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001359602679 1070062488 /nfs/dbraw/zinc/06/24/88/1070062488.db2.gz PQZBDBGTCUIVQG-UHFFFAOYSA-N 1 1 467.614 4.199 20 0 JIADMO 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Cc1cccc(-c2nnc(N(C)CCc3ccc(Cl)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC001492501949 1066299326 /nfs/dbraw/zinc/29/93/26/1066299326.db2.gz DKMXTDYDIYVSGA-QHCPKHFHSA-N 1 1 483.060 4.338 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001316442402 1066304461 /nfs/dbraw/zinc/30/44/61/1066304461.db2.gz LCQDFRGNSZYKJT-CMKODMSKSA-N 1 1 478.732 4.139 20 0 JIADMO CSCC[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001316443547 1066308170 /nfs/dbraw/zinc/30/81/70/1066308170.db2.gz DAJSFCGXBAAKNH-QZTJIDSGSA-N 1 1 476.691 4.094 20 0 JIADMO CCc1ccc([C@H](NC(=O)N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)c2cccc(F)c2)cc1 ZINC001327153467 1066311681 /nfs/dbraw/zinc/31/16/81/1066311681.db2.gz ORNVCUDDAFAWJE-NDEPHWFRSA-N 1 1 494.655 4.453 20 0 JIADMO CSCC[C@@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001316448652 1066323930 /nfs/dbraw/zinc/32/39/30/1066323930.db2.gz WWDBTYYGMDLUTH-MZNJEOGPSA-N 1 1 489.686 4.457 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cc4c(cccc4OC(F)(F)F)[nH]3)C2)ccn1 ZINC001328451976 1066324382 /nfs/dbraw/zinc/32/43/82/1066324382.db2.gz VOXBOTAUFZBZEB-QGZVFWFLSA-N 1 1 462.472 4.207 20 0 JIADMO CSCCCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001316451887 1066332985 /nfs/dbraw/zinc/33/29/85/1066332985.db2.gz NINXZLRCSRPNCR-SFHVURJKSA-N 1 1 481.508 4.254 20 0 JIADMO Cc1cccc(-c2nnc(N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)n2CC[S@@](=O)C(C)(C)C)n1 ZINC001492509056 1066336499 /nfs/dbraw/zinc/33/64/99/1066336499.db2.gz GNYAIFXMPDHTCK-GJRHBRKLSA-N 1 1 494.709 4.297 20 0 JIADMO Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C2CCCCC2)n1 ZINC001492510465 1066340816 /nfs/dbraw/zinc/34/08/16/1066340816.db2.gz RRTQDOZCNNSINK-HXUWFJFHSA-N 1 1 483.661 4.016 20 0 JIADMO CSCCCCCCn1c(-c2ccccc2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001316454747 1066341912 /nfs/dbraw/zinc/34/19/12/1066341912.db2.gz UZIFHBHRWQLRKW-DHLKQENFSA-N 1 1 498.741 4.247 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492511805 1066347887 /nfs/dbraw/zinc/34/78/87/1066347887.db2.gz KLVHGCLMTXPRAO-FQEVSTJZSA-N 1 1 497.688 4.122 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@]2(O)CCCC2(C)C)n1 ZINC001492512203 1066350613 /nfs/dbraw/zinc/35/06/13/1066350613.db2.gz WLGROJBQGGDKBN-SANMLTNESA-N 1 1 454.663 4.146 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC[N@H+](C)C2CCCCC2)n1 ZINC001492513947 1066354689 /nfs/dbraw/zinc/35/46/89/1066354689.db2.gz HWPUKCAMOIYHJD-HXUWFJFHSA-N 1 1 480.579 4.461 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)n2CCC(=O)NC(C)(C)C)n1 ZINC001492514519 1066355891 /nfs/dbraw/zinc/35/58/91/1066355891.db2.gz SAWSVJCJFUQJRC-VXKWHMMOSA-N 1 1 481.689 4.044 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC001492514809 1066357166 /nfs/dbraw/zinc/35/71/66/1066357166.db2.gz VJYWUOWUNLGIGM-RTWAWAEBSA-N 1 1 497.688 4.215 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(CC(=O)N3CCc4cc(-c5csc(C)n5)ccc43)C2)ccn1 ZINC001331303781 1066358658 /nfs/dbraw/zinc/35/86/58/1066358658.db2.gz YSGMBMUKZBRFRI-XMMPIXPASA-N 1 1 491.661 4.008 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](c2c(F)cccc2F)N(C)C)n1 ZINC001492515898 1066362493 /nfs/dbraw/zinc/36/24/93/1066362493.db2.gz ICCRQXAEOINHBV-HSZRJFAPSA-N 1 1 483.611 4.150 20 0 JIADMO CSCCCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001316464482 1066363031 /nfs/dbraw/zinc/36/30/31/1066363031.db2.gz BJIFJOCYWVEFDG-MRXNPFEDSA-N 1 1 464.477 4.381 20 0 JIADMO CSCCCN(C)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001316467096 1066371282 /nfs/dbraw/zinc/37/12/82/1066371282.db2.gz ZETMYHNZUGIPCH-UHFFFAOYSA-N 1 1 488.521 4.069 20 0 JIADMO CSCCCN(C)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001316467096 1066371301 /nfs/dbraw/zinc/37/13/01/1066371301.db2.gz ZETMYHNZUGIPCH-UHFFFAOYSA-N 1 1 488.521 4.069 20 0 JIADMO CSCCCN(C)c1nnc(-c2ccccc2Br)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001316469015 1066373554 /nfs/dbraw/zinc/37/35/54/1066373554.db2.gz LQCMZNZUCDLNNN-SFHVURJKSA-N 1 1 496.519 4.398 20 0 JIADMO CSCCCn1c(-c2ccccc2F)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001316474418 1066382435 /nfs/dbraw/zinc/38/24/35/1066382435.db2.gz WFSRUBCLLWPFFR-PGRDOPGGSA-N 1 1 471.650 4.090 20 0 JIADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1Cc1ccsc1Br ZINC001316492249 1066429988 /nfs/dbraw/zinc/42/99/88/1066429988.db2.gz GRUDPFOAFPUIKJ-MRXNPFEDSA-N 1 1 496.519 4.429 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCCCO2)n1CCCNC(=O)OC(C)(C)C ZINC001316496382 1066445121 /nfs/dbraw/zinc/44/51/21/1066445121.db2.gz KTABLJLODWXRHK-GGAORHGYSA-N 1 1 498.672 4.145 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCC(F)F ZINC001316497980 1066450893 /nfs/dbraw/zinc/45/08/93/1066450893.db2.gz VQOBXZMENTYGNG-KJXAQDMKSA-N 1 1 491.627 4.189 20 0 JIADMO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H](C)C1(F)F ZINC001316502041 1066464050 /nfs/dbraw/zinc/46/40/50/1066464050.db2.gz ZCWJHVCMCBDIGT-BGYRXZFFSA-N 1 1 492.634 4.009 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001316503433 1066469110 /nfs/dbraw/zinc/46/91/10/1066469110.db2.gz OVKIYXADVBQHPQ-YHELAOLJSA-N 1 1 480.579 4.103 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001316503433 1066469120 /nfs/dbraw/zinc/46/91/20/1066469120.db2.gz OVKIYXADVBQHPQ-YHELAOLJSA-N 1 1 480.579 4.103 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001316503430 1066469368 /nfs/dbraw/zinc/46/93/68/1066469368.db2.gz OVKIYXADVBQHPQ-IZZBFERCSA-N 1 1 480.579 4.103 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001316503430 1066469386 /nfs/dbraw/zinc/46/93/86/1066469386.db2.gz OVKIYXADVBQHPQ-IZZBFERCSA-N 1 1 480.579 4.103 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCCC2(C)C)C[C@H](C)O1 ZINC001316504459 1066474591 /nfs/dbraw/zinc/47/45/91/1066474591.db2.gz YOEUSTOFESREAR-CEYNDMKZSA-N 1 1 476.065 4.085 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCCC2(C)C)C[C@H](C)O1 ZINC001316504459 1066474602 /nfs/dbraw/zinc/47/46/02/1066474602.db2.gz YOEUSTOFESREAR-CEYNDMKZSA-N 1 1 476.065 4.085 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CCCc3ccccc3)n2Cc2ccncc2Cl)C[C@H](C)O1 ZINC001316505833 1066480675 /nfs/dbraw/zinc/48/06/75/1066480675.db2.gz VWOCBPPNKMMRLF-OYRHEFFESA-N 1 1 483.060 4.096 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CCCc3ccccc3)n2Cc2ccncc2Cl)C[C@H](C)O1 ZINC001316505833 1066480711 /nfs/dbraw/zinc/48/07/11/1066480711.db2.gz VWOCBPPNKMMRLF-OYRHEFFESA-N 1 1 483.060 4.096 20 0 JIADMO CC(C)CC(=O)N1CCN(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)CC1 ZINC001337782243 1066510707 /nfs/dbraw/zinc/51/07/07/1066510707.db2.gz VGHQKYGPURTZNW-UHFFFAOYSA-N 1 1 498.071 4.384 20 0 JIADMO O=C1N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1CN1CCC[C@H]1c1cccc(Cl)c1 ZINC001338004319 1066524074 /nfs/dbraw/zinc/52/40/74/1066524074.db2.gz OURUWIMMNSGPAH-WIOPSUGQSA-N 1 1 452.986 4.021 20 0 JIADMO Fc1cccc(C[NH+]2CCN(c3nnc(-c4ccc(Cl)nc4)n3CC(F)(F)F)CC2)c1 ZINC001316524743 1066537653 /nfs/dbraw/zinc/53/76/53/1066537653.db2.gz QVJBRZYFBKVYGL-UHFFFAOYSA-N 1 1 454.859 4.017 20 0 JIADMO Fc1ccccc1OCc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCCOC(F)(F)F ZINC001316527092 1066543113 /nfs/dbraw/zinc/54/31/13/1066543113.db2.gz VBBDJUZMCKRIOE-UHFFFAOYSA-N 1 1 485.526 4.377 20 0 JIADMO O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)C1 ZINC001338428304 1066553612 /nfs/dbraw/zinc/55/36/12/1066553612.db2.gz BMGOJYIELNOXHH-OAQYLSRUSA-N 1 1 489.620 4.195 20 0 JIADMO C[C@@H](Sc1ncccc1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)C(=O)N1CCCC1 ZINC001338428345 1066553693 /nfs/dbraw/zinc/55/36/93/1066553693.db2.gz CURZPQVPVSXLHF-GOSISDBHSA-N 1 1 492.649 4.299 20 0 JIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001338459872 1066557198 /nfs/dbraw/zinc/55/71/98/1066557198.db2.gz ISZNWOQMPOJJGX-FQEVSTJZSA-N 1 1 463.651 4.426 20 0 JIADMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1 ZINC001341818211 1066589813 /nfs/dbraw/zinc/58/98/13/1066589813.db2.gz RWBOLFSRXLXMBY-NFBKMPQASA-N 1 1 458.986 4.101 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001492536962 1066592610 /nfs/dbraw/zinc/59/26/10/1066592610.db2.gz MDFMYDCJCLLZHT-QQKQFIJSSA-N 1 1 496.700 4.123 20 0 JIADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001316585904 1066608614 /nfs/dbraw/zinc/60/86/14/1066608614.db2.gz YIPBJYUFMQRKET-AEFFLSMTSA-N 1 1 485.982 4.456 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492541113 1066643644 /nfs/dbraw/zinc/64/36/44/1066643644.db2.gz DRSAZDUEJCQFBU-QFIPXVFZSA-N 1 1 495.590 4.301 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492541112 1066643750 /nfs/dbraw/zinc/64/37/50/1066643750.db2.gz DRSAZDUEJCQFBU-JOCHJYFZSA-N 1 1 495.590 4.301 20 0 JIADMO COc1ccc([C@H](CNC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)[NH+]2CCCCC2)cc1 ZINC001345942649 1066648541 /nfs/dbraw/zinc/64/85/41/1066648541.db2.gz FHKSWQZJYMMVAY-UGKGYDQZSA-N 1 1 450.579 4.416 20 0 JIADMO O=C(CC1(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CCCC1)N1CCOCC1 ZINC001317757108 1066669955 /nfs/dbraw/zinc/66/99/55/1066669955.db2.gz QNRXCKRWBGRADZ-UHFFFAOYSA-N 1 1 489.660 4.120 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)CC2)cc1 ZINC001317758640 1066671306 /nfs/dbraw/zinc/67/13/06/1066671306.db2.gz IJKFYDWXBAUDTI-UHFFFAOYSA-N 1 1 497.705 4.254 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(CN4C(=O)c5ccccc5C4=O)cc(C)c3O)CC2)cc1 ZINC001317758252 1066671367 /nfs/dbraw/zinc/67/13/67/1066671367.db2.gz BFQUCBDGQPPQQI-UHFFFAOYSA-N 1 1 497.595 4.153 20 0 JIADMO 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Cc1cccc(OCc2nnc(N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)n2CCC(=O)NC(C)C)c1 ZINC001492546413 1066773436 /nfs/dbraw/zinc/77/34/36/1066773436.db2.gz VSJRKFPZJGBZHI-RPWUZVMVSA-N 1 1 496.700 4.171 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC001317917039 1066785270 /nfs/dbraw/zinc/78/52/70/1066785270.db2.gz MHBZSONNOLCMLH-QGZVFWFLSA-N 1 1 453.425 4.062 20 0 JIADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC001349107662 1066809467 /nfs/dbraw/zinc/80/94/67/1066809467.db2.gz AYAJKOFHDBFGEQ-IEUSDUHPSA-N 1 1 467.629 4.110 20 0 JIADMO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(=O)Nc2ccc(Br)cc2C)c1 ZINC001349127247 1066812077 /nfs/dbraw/zinc/81/20/77/1066812077.db2.gz DHINCJWLKXDQII-NRFANRHFSA-N 1 1 458.400 4.175 20 0 JIADMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCC(=O)Nc2ccc(Br)cc2C)c1 ZINC001349127247 1066812079 /nfs/dbraw/zinc/81/20/79/1066812079.db2.gz DHINCJWLKXDQII-NRFANRHFSA-N 1 1 458.400 4.175 20 0 JIADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2nn(-c3ccccc3F)cc2Br)C1 ZINC001317989129 1066835243 /nfs/dbraw/zinc/83/52/43/1066835243.db2.gz FMNFTWQCBTZQKA-GASCZTMLSA-N 1 1 451.384 4.260 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(NC(=O)c3ccccc3I)c2)C1 ZINC001318046643 1066870122 /nfs/dbraw/zinc/87/01/22/1066870122.db2.gz OXCUTIDMPKCKIV-INIZCTEOSA-N 1 1 491.373 4.005 20 0 JIADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)c1cccc(N3CCNC3=O)c1)CC2 ZINC001318054007 1066873373 /nfs/dbraw/zinc/87/33/73/1066873373.db2.gz FLGGPMJEZYQMBV-UHFFFAOYSA-N 1 1 486.572 4.044 20 0 JIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)c1cccc(N3CCNC3=O)c1)CC2 ZINC001318054007 1066873378 /nfs/dbraw/zinc/87/33/78/1066873378.db2.gz FLGGPMJEZYQMBV-UHFFFAOYSA-N 1 1 486.572 4.044 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)C1 ZINC001318059337 1066876536 /nfs/dbraw/zinc/87/65/36/1066876536.db2.gz UVIVUKUAUBKBIO-SFHVURJKSA-N 1 1 458.400 4.092 20 0 JIADMO 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CCC[C@H](C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC001351019936 1067033301 /nfs/dbraw/zinc/03/33/01/1067033301.db2.gz ORFSUSCDRLDAKG-QHCPKHFHSA-N 1 1 458.002 4.201 20 0 JIADMO C[N@@H+](CCN(Cc1ccccc1)C(=O)c1coc2c1C(=O)NCC(C)(C)C2)Cc1ccccc1 ZINC001354673563 1067036477 /nfs/dbraw/zinc/03/64/77/1067036477.db2.gz FNVNFWMRBZYYOF-UHFFFAOYSA-N 1 1 459.590 4.366 20 0 JIADMO Cc1csc(SCc2ccccc2C(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)n1 ZINC001318434198 1067042454 /nfs/dbraw/zinc/04/24/54/1067042454.db2.gz RDWLOXXCPNOKIF-UHFFFAOYSA-N 1 1 466.676 4.421 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3ccc4c(c3)CCN4C(=O)OC(C)(C)C)c2)CC1 ZINC001318459390 1067045448 /nfs/dbraw/zinc/04/54/48/1067045448.db2.gz XSOKAIMLKKDBLU-UHFFFAOYSA-N 1 1 479.625 4.053 20 0 JIADMO Cc1cc(C(=O)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c(C)n1CC1CC1 ZINC001318501916 1067049324 /nfs/dbraw/zinc/04/93/24/1067049324.db2.gz GGCFCFXNNYIPQN-UHFFFAOYSA-N 1 1 453.612 4.017 20 0 JIADMO 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C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)C[C@H](C)O1 ZINC001357219327 1067820271 /nfs/dbraw/zinc/82/02/71/1067820271.db2.gz GWRYYHMPRUFITK-GASCZTMLSA-N 1 1 451.583 4.370 20 0 JIADMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC001357247725 1067824353 /nfs/dbraw/zinc/82/43/53/1067824353.db2.gz YYCMOAKBDUWUNW-NFQMXDRXSA-N 1 1 459.638 4.494 20 0 JIADMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC001357247725 1067824356 /nfs/dbraw/zinc/82/43/56/1067824356.db2.gz YYCMOAKBDUWUNW-NFQMXDRXSA-N 1 1 459.638 4.494 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCOC[C@H]1CCCO1 ZINC001492585518 1067828599 /nfs/dbraw/zinc/82/85/99/1067828599.db2.gz HUSFJBQLUXCCMW-XMMPIXPASA-N 1 1 469.674 4.074 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCC(=O)NC1CCCCC1 ZINC001492585538 1067828694 /nfs/dbraw/zinc/82/86/94/1067828694.db2.gz IOUIBDNFPDQDLK-UHFFFAOYSA-N 1 1 480.701 4.327 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001492585609 1067829331 /nfs/dbraw/zinc/82/93/31/1067829331.db2.gz KHFALSBOXAUVGH-OAQYLSRUSA-N 1 1 492.634 4.372 20 0 JIADMO C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC001357293270 1067831232 /nfs/dbraw/zinc/83/12/32/1067831232.db2.gz GCRYCNILLZIDIY-MRXNPFEDSA-N 1 1 454.621 4.145 20 0 JIADMO COC(=O)c1ccc(C[NH+]2CCC(NS(=O)(=O)c3ccc(Cl)c4ccccc43)CC2)cc1 ZINC001200215239 1067851767 /nfs/dbraw/zinc/85/17/67/1067851767.db2.gz QKBPREKMIZUYLS-UHFFFAOYSA-N 1 1 472.994 4.223 20 0 JIADMO C[N@@H+](CCN(Cc1ccccc1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)Cc1ccccc1 ZINC001473277235 1067852012 /nfs/dbraw/zinc/85/20/12/1067852012.db2.gz HVZGZZXXQXXTOI-RUZDIDTESA-N 1 1 453.627 4.257 20 0 JIADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H](C)c3ccc(Br)s3)cc2)CC1 ZINC001357480245 1067855873 /nfs/dbraw/zinc/85/58/73/1067855873.db2.gz VQIQZDTTXTWIPU-CQSZACIVSA-N 1 1 450.402 4.031 20 0 JIADMO CO[C@@H]1CCN(C(=S)Nc2c(C)cc(Br)cc2C)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001200222049 1067864491 /nfs/dbraw/zinc/86/44/91/1067864491.db2.gz OOHBZIJVWLZSCX-PWRODBHTSA-N 1 1 489.483 4.379 20 0 JIADMO COC(=O)[C@@H]1CCC[N@H+](C2CCN(C(=S)Nc3c(C)cc(Br)cc3C)CC2)C1 ZINC001200227182 1067871281 /nfs/dbraw/zinc/87/12/81/1067871281.db2.gz FLKZRYOZCWKYBO-MRXNPFEDSA-N 1 1 468.461 4.112 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CCOc1ncccc1Cl ZINC001492557587 1067871553 /nfs/dbraw/zinc/87/15/53/1067871553.db2.gz PMOIZGQSYJOVFC-UHFFFAOYSA-N 1 1 499.059 4.176 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)Cc2ccc(Br)s2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001492557461 1067871578 /nfs/dbraw/zinc/87/15/78/1067871578.db2.gz MEITVYRZHCIEMX-QGZVFWFLSA-N 1 1 490.471 4.435 20 0 JIADMO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001357632182 1067879802 /nfs/dbraw/zinc/87/98/02/1067879802.db2.gz UQFKTKFZNSQPCI-LARUCZGFSA-N 1 1 457.618 4.475 20 0 JIADMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001357634380 1067880106 /nfs/dbraw/zinc/88/01/06/1067880106.db2.gz TXCYBRQJPKORQC-NRFANRHFSA-N 1 1 459.587 4.054 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3oc4ccccc4c3Br)cc2)C1 ZINC001357644870 1067881751 /nfs/dbraw/zinc/88/17/51/1067881751.db2.gz LQYCZYBGBYWDHU-OAHLLOKOSA-N 1 1 456.340 4.145 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001492559435 1067884765 /nfs/dbraw/zinc/88/47/65/1067884765.db2.gz AEGCIJOFHXXIJI-LYGMZBLVSA-N 1 1 469.674 4.394 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001492559435 1067884766 /nfs/dbraw/zinc/88/47/66/1067884766.db2.gz AEGCIJOFHXXIJI-LYGMZBLVSA-N 1 1 469.674 4.394 20 0 JIADMO COc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c(F)c1 ZINC001300218040 1067889170 /nfs/dbraw/zinc/88/91/70/1067889170.db2.gz NCUUGKVQKPTQJI-UHFFFAOYSA-N 1 1 466.605 4.017 20 0 JIADMO 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 1067889221 /nfs/dbraw/zinc/88/92/21/1067889221.db2.gz SXWZDUXRHKIDAH-WTLGNFPFSA-N 1 1 457.384 4.247 20 0 JIADMO CO[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)c1ccc(Br)s1 ZINC001357804113 1067903968 /nfs/dbraw/zinc/90/39/68/1067903968.db2.gz QWMDJQNMCMWCJJ-QGZVFWFLSA-N 1 1 458.809 4.242 20 0 JIADMO COc1ccccc1-c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c(=O)[nH]1 ZINC001357803122 1067904056 /nfs/dbraw/zinc/90/40/56/1067904056.db2.gz DYHFRILERQSJPH-UHFFFAOYSA-N 1 1 452.942 4.120 20 0 JIADMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(C)(C)c3ccccc3Br)cc2)CC1 ZINC001357804866 1067904652 /nfs/dbraw/zinc/90/46/52/1067904652.db2.gz FEHFQTTVBOSKSU-UHFFFAOYSA-N 1 1 458.400 4.030 20 0 JIADMO C[N@@H+](CCc1cccc(NC(=O)c2ccccc2-n2ncc(Cl)c(Cl)c2=O)c1)C1CC1 ZINC001357871974 1067926285 /nfs/dbraw/zinc/92/62/85/1067926285.db2.gz QWOPAXFRHFTADB-UHFFFAOYSA-N 1 1 457.361 4.428 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001300237136 1067932027 /nfs/dbraw/zinc/93/20/27/1067932027.db2.gz GEMHHILHIQRMFE-OALUTQOASA-N 1 1 462.038 4.202 20 0 JIADMO CC(C)[C@@H](C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccc(Cl)c1 ZINC001357977197 1067966922 /nfs/dbraw/zinc/96/69/22/1067966922.db2.gz VAJKEXJLTCGPCZ-XMMPIXPASA-N 1 1 458.002 4.057 20 0 JIADMO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC001358030761 1067994352 /nfs/dbraw/zinc/99/43/52/1067994352.db2.gz VGAVMZNWBBYKMF-POGFHVCPSA-N 1 1 466.645 4.303 20 0 JIADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC001358030761 1067994381 /nfs/dbraw/zinc/99/43/81/1067994381.db2.gz VGAVMZNWBBYKMF-POGFHVCPSA-N 1 1 466.645 4.303 20 0 JIADMO Cc1cc2nc(C)c(CCC(=O)NC[C@@H]3CC[N@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)c(C)n2n1 ZINC001358033962 1067996357 /nfs/dbraw/zinc/99/63/57/1067996357.db2.gz DEPQDPDBSQXWAM-MHECFPHRSA-N 1 1 457.981 4.189 20 0 JIADMO COc1ccc(OC2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCC[C@@H]3C)CC2)cc1 ZINC001300261147 1068024963 /nfs/dbraw/zinc/02/49/63/1068024963.db2.gz ODKRRJOBHBNKLF-FQEVSTJZSA-N 1 1 455.647 4.407 20 0 JIADMO C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CCN1CC(F)(F)F ZINC001358205761 1068043179 /nfs/dbraw/zinc/04/31/79/1068043179.db2.gz FECYCWXBKOCDKT-DFQSSKMNSA-N 1 1 451.558 4.059 20 0 JIADMO COc1ccc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001300269487 1068045657 /nfs/dbraw/zinc/04/56/57/1068045657.db2.gz NMRCDSMZCPLZLC-QFIPXVFZSA-N 1 1 498.716 4.012 20 0 JIADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3c(C)onc3-c3cccc(Cl)c3)cc2)CC1 ZINC001358257289 1068053097 /nfs/dbraw/zinc/05/30/97/1068053097.db2.gz MUCPZPOHBLDDRB-UHFFFAOYSA-N 1 1 452.942 4.333 20 0 JIADMO CC(C)(C)OC(=O)CN1CC[C@@H]([NH2+][C@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)C1=O ZINC001473366540 1068073582 /nfs/dbraw/zinc/07/35/82/1068073582.db2.gz UWCKZSKIXRRBPB-HUUCEWRRSA-N 1 1 454.411 4.231 20 0 JIADMO CCC[C@@H](C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)c1cccc(Cl)c1 ZINC001358385430 1068080143 /nfs/dbraw/zinc/08/01/43/1068080143.db2.gz PQOUTNNVJUNTRT-HSZRJFAPSA-N 1 1 457.018 4.073 20 0 JIADMO COc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[C@H]2CCCCO2)cc1 ZINC001300290657 1068094643 /nfs/dbraw/zinc/09/46/43/1068094643.db2.gz KOFPPYJGWDDRSV-JOCHJYFZSA-N 1 1 471.646 4.136 20 0 JIADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001358489460 1068112988 /nfs/dbraw/zinc/11/29/88/1068112988.db2.gz YFKSXRBBPNHWCB-UXHICEINSA-N 1 1 450.023 4.456 20 0 JIADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001358489460 1068113062 /nfs/dbraw/zinc/11/30/62/1068113062.db2.gz YFKSXRBBPNHWCB-UXHICEINSA-N 1 1 450.023 4.456 20 0 JIADMO O=C(NCCCNc1ccc(C(F)(F)F)cn1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000514069518 1068251471 /nfs/dbraw/zinc/25/14/71/1068251471.db2.gz DNMOBRHPHOCJBW-MRXNPFEDSA-N 1 1 455.550 4.175 20 0 JIADMO COc1cccc(C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001300329702 1068267342 /nfs/dbraw/zinc/26/73/42/1068267342.db2.gz GMCZQSDKDLUUGE-UHFFFAOYSA-N 1 1 496.700 4.057 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CCC(C)C)CC2)c1 ZINC001300332985 1068287449 /nfs/dbraw/zinc/28/74/49/1068287449.db2.gz OYSUKLPQXSFRMW-WXVAWEFUSA-N 1 1 485.673 4.257 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc([C@@H]4CCCOC4)n3CCC(C)(F)F)CC2)c1 ZINC001300333805 1068293940 /nfs/dbraw/zinc/29/39/40/1068293940.db2.gz DAGVGMMVKUQZNX-AZUAARDMSA-N 1 1 463.573 4.109 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3CCC(=O)N3CCCCCC3)CC2)c1 ZINC001300334084 1068297571 /nfs/dbraw/zinc/29/75/71/1068297571.db2.gz FAEQDNVMNAQPCH-QHCPKHFHSA-N 1 1 496.700 4.161 20 0 JIADMO C[N@@H+](CCCNC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1)Cc1ccccc1 ZINC001353538734 1068304091 /nfs/dbraw/zinc/30/40/91/1068304091.db2.gz QKADABCOSKLRAB-LFRSYBKYSA-N 1 1 454.014 4.373 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc([C@H]4CCCO4)n3C[C@@](C)(O)CCC(C)C)CC2)c1 ZINC001300335248 1068305720 /nfs/dbraw/zinc/30/57/20/1068305720.db2.gz OVHJTBFIYPSPCT-DBTWGZIYSA-N 1 1 485.673 4.209 20 0 JIADMO CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1 ZINC001353545681 1068312393 /nfs/dbraw/zinc/31/23/93/1068312393.db2.gz ALAAYQZEGUVDEE-VQTJNVASSA-N 1 1 457.640 4.068 20 0 JIADMO O=C(Nc1nnc(SCc2ccc(F)cc2)s1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000519058194 1068313723 /nfs/dbraw/zinc/31/37/23/1068313723.db2.gz PMTUFHBTHIJHMK-UHFFFAOYSA-N 1 1 493.552 4.088 20 0 JIADMO C[N@@H+](CCOc1cccc(CNC(=O)Nc2nnc(Cc3ccccc3F)s2)c1)C1CCOCC1 ZINC000519450848 1068316864 /nfs/dbraw/zinc/31/68/64/1068316864.db2.gz KXVRHPHSDHSEQD-UHFFFAOYSA-N 1 1 499.612 4.079 20 0 JIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3nnc(Cc4ccc(C)cc4)s3)CC2)cc1 ZINC000520855404 1068328346 /nfs/dbraw/zinc/32/83/46/1068328346.db2.gz LUGSQJKRSXDOIR-UHFFFAOYSA-N 1 1 451.596 4.186 20 0 JIADMO CSc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001353608412 1068368527 /nfs/dbraw/zinc/36/85/27/1068368527.db2.gz CVPFQWFDCQEIFE-XZOQPEGZSA-N 1 1 474.630 4.116 20 0 JIADMO C[NH+]1CCN([C@H](C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c2ccccc2)CC1 ZINC001353612598 1068374245 /nfs/dbraw/zinc/37/42/45/1068374245.db2.gz LSQOMNCIYVCZIB-UKJJDJLKSA-N 1 1 453.652 4.195 20 0 JIADMO COc1cccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001300359830 1068383879 /nfs/dbraw/zinc/38/38/79/1068383879.db2.gz HKKKELDXDGAVFO-REWPJTCUSA-N 1 1 455.647 4.470 20 0 JIADMO COc1cccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001300365801 1068399168 /nfs/dbraw/zinc/39/91/68/1068399168.db2.gz BWLQPSJLKPCZST-UHFFFAOYSA-N 1 1 481.563 4.233 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001300377806 1068457619 /nfs/dbraw/zinc/45/76/19/1068457619.db2.gz LXUCIKZDTRQMTD-RTWAWAEBSA-N 1 1 498.672 4.179 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2nc(C)c(C)s2)c1 ZINC001300385957 1068486206 /nfs/dbraw/zinc/48/62/06/1068486206.db2.gz WJWGQWVRFQWDHF-UHFFFAOYSA-N 1 1 454.644 4.386 20 0 JIADMO O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(F)cc1I)C(F)(F)F ZINC001200425309 1068491878 /nfs/dbraw/zinc/49/18/78/1068491878.db2.gz VVMWNRXBLKJSGQ-HZPDHXFCSA-N 1 1 453.217 4.054 20 0 JIADMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)Nc1cccc(Cl)c1SCC(F)F ZINC001200435745 1068540198 /nfs/dbraw/zinc/54/01/98/1068540198.db2.gz FSXVXPSZDGLGEA-MRXNPFEDSA-N 1 1 455.958 4.238 20 0 JIADMO CN(C)C(=O)c1cccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001353818265 1068619656 /nfs/dbraw/zinc/61/96/56/1068619656.db2.gz QILWTCYZSWOUBC-GGXMVOPNSA-N 1 1 455.602 4.095 20 0 JIADMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC001300433233 1068684653 /nfs/dbraw/zinc/68/46/53/1068684653.db2.gz FSVISHFCCHANGP-GOSISDBHSA-N 1 1 456.011 4.060 20 0 JIADMO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@@H]([N@@H+](C)CCc4ccccc4)C3)c2c1C ZINC001300433652 1068687711 /nfs/dbraw/zinc/68/77/11/1068687711.db2.gz OITPTQYCGJMIEU-HXUWFJFHSA-N 1 1 454.665 4.484 20 0 JIADMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CCc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC001300434074 1068689639 /nfs/dbraw/zinc/68/96/39/1068689639.db2.gz INNMFMONIPOVOG-IBGZPJMESA-N 1 1 458.628 4.198 20 0 JIADMO COc1cccc(Cl)c1Cn1c(Cc2ccncc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300439110 1068707830 /nfs/dbraw/zinc/70/78/30/1068707830.db2.gz JUGNJMRDTGSKKS-UHFFFAOYSA-N 1 1 469.033 4.285 20 0 JIADMO COc1cccc(Cl)c1Cn1c(C2CCCC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001300440494 1068713156 /nfs/dbraw/zinc/71/31/56/1068713156.db2.gz STXYUIBVFLXYQL-UHFFFAOYSA-N 1 1 462.038 4.193 20 0 JIADMO COc1cccc(Cl)c1Cn1c(C2CCCC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001300440494 1068713162 /nfs/dbraw/zinc/71/31/62/1068713162.db2.gz STXYUIBVFLXYQL-UHFFFAOYSA-N 1 1 462.038 4.193 20 0 JIADMO COc1cccc(CNC(=S)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)c1OC ZINC001200511782 1068800210 /nfs/dbraw/zinc/80/02/10/1068800210.db2.gz JFVPSKMHAXJWSE-JBACZVJFSA-N 1 1 459.681 4.372 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC2CCCCC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001300471344 1068812933 /nfs/dbraw/zinc/81/29/33/1068812933.db2.gz XNSUCZFGNMXWSD-OAQYLSRUSA-N 1 1 455.647 4.471 20 0 JIADMO COc1cccc(CNC(=S)NC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)c1OC ZINC001200527848 1068826372 /nfs/dbraw/zinc/82/63/72/1068826372.db2.gz HVHPZUDIJDOQPZ-UHFFFAOYSA-N 1 1 451.995 4.125 20 0 JIADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC001200543810 1068862311 /nfs/dbraw/zinc/86/23/11/1068862311.db2.gz WEBKCISBIAZXRB-HSZRJFAPSA-N 1 1 454.640 4.184 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCCCn1cc[nH+]c1C ZINC001300497843 1068866088 /nfs/dbraw/zinc/86/60/88/1068866088.db2.gz LGPUFXYTBCBSPW-NRFANRHFSA-N 1 1 493.656 4.070 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300498468 1068866882 /nfs/dbraw/zinc/86/68/82/1068866882.db2.gz NWUJDUFBEMFWPE-XZOQPEGZSA-N 1 1 496.700 4.063 20 0 JIADMO COc1ccccc1-c1nnc(N2CCN3CCCC[C@@H]3C2)n1CCC[NH+](C(C)C)C(C)C ZINC001300513829 1068894892 /nfs/dbraw/zinc/89/48/92/1068894892.db2.gz RLEJLICUBGDYLN-JOCHJYFZSA-N 1 1 454.663 4.137 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@H](OC)C(C)C ZINC001300514154 1068895887 /nfs/dbraw/zinc/89/58/87/1068895887.db2.gz YGUBUCRKAWRFEN-JOCHJYFZSA-N 1 1 455.628 4.008 20 0 JIADMO C[C@H]1C[C@H](N(C)C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)CC[N@H+]1C ZINC001354116809 1068907174 /nfs/dbraw/zinc/90/71/74/1068907174.db2.gz IZJVEKNQIGBVQH-HRAATJIYSA-N 1 1 458.400 4.185 20 0 JIADMO COc1cc(S(=O)(=O)Nc2ccccc2C[N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2)ccc1F ZINC001200568487 1068909915 /nfs/dbraw/zinc/90/99/15/1068909915.db2.gz AZMPOIXCINVWQE-JOCHJYFZSA-N 1 1 478.973 4.454 20 0 JIADMO COc1ccccc1[C@@H]1CCCN1c1nnc(CC(C)(C)C)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001300523123 1068919525 /nfs/dbraw/zinc/91/95/25/1068919525.db2.gz DYESESSLLUJRJA-GMAHTHKFSA-N 1 1 469.674 4.454 20 0 JIADMO Cc1cc(C(C)(C)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)ccc1Br ZINC001354143549 1068929254 /nfs/dbraw/zinc/92/92/54/1068929254.db2.gz XYUVJELJJJYILS-IBGZPJMESA-N 1 1 458.444 4.362 20 0 JIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c2ccc(Br)cc2nn1C ZINC001354146624 1068930683 /nfs/dbraw/zinc/93/06/83/1068930683.db2.gz CWOIKLNXUKVUCC-SFHVURJKSA-N 1 1 455.400 4.320 20 0 JIADMO Cc1cc(C(C)(C)C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1Br ZINC001354157910 1068938525 /nfs/dbraw/zinc/93/85/25/1068938525.db2.gz WRBOPNVABHXIQK-AVRDEDQJSA-N 1 1 459.428 4.441 20 0 JIADMO Cc1cc(C(C)(C)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1Br ZINC001354157910 1068938545 /nfs/dbraw/zinc/93/85/45/1068938545.db2.gz WRBOPNVABHXIQK-AVRDEDQJSA-N 1 1 459.428 4.441 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)C2CCC(C)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300530942 1068941945 /nfs/dbraw/zinc/94/19/45/1068941945.db2.gz FSALTZVZANDNSF-FOJYNEPKSA-N 1 1 469.674 4.249 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001300531813 1068945985 /nfs/dbraw/zinc/94/59/85/1068945985.db2.gz MEASXKAVIVSBIR-ANYOXOOPSA-N 1 1 496.700 4.026 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)Cc2cnc(C)s2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300536488 1068957037 /nfs/dbraw/zinc/95/70/37/1068957037.db2.gz PHRWSDOEZPVCHT-OALUTQOASA-N 1 1 468.671 4.399 20 0 JIADMO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NC[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)C2)c1 ZINC001354209788 1068980068 /nfs/dbraw/zinc/98/00/68/1068980068.db2.gz KTOVXJKKQSKCIJ-HFMPRLQTSA-N 1 1 453.652 4.416 20 0 JIADMO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc(Br)c1OC ZINC001354209739 1068980232 /nfs/dbraw/zinc/98/02/32/1068980232.db2.gz KLAYEPVSAVQCKA-ACJLOTCBSA-N 1 1 453.402 4.341 20 0 JIADMO Cc1ccc(I)c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC001354210787 1068981150 /nfs/dbraw/zinc/98/11/50/1068981150.db2.gz UPVLRMIFENUZCX-KBXCAEBGSA-N 1 1 454.377 4.474 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001492586438 1069003111 /nfs/dbraw/zinc/00/31/11/1069003111.db2.gz HPFDXAYFVODOHT-JOCHJYFZSA-N 1 1 496.700 4.497 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300558199 1069020459 /nfs/dbraw/zinc/02/04/59/1069020459.db2.gz WKJDIKBREAVMBE-SZPZYZBQSA-N 1 1 499.700 4.161 20 0 JIADMO O=C(c1nccnc1-c1nc2ccccc2s1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000849367558 1069024212 /nfs/dbraw/zinc/02/42/12/1069024212.db2.gz ZXJLNTYCIDYMFW-UHFFFAOYSA-N 1 1 466.570 4.260 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C[C@@H](C)OC ZINC001300560778 1069029128 /nfs/dbraw/zinc/02/91/28/1069029128.db2.gz BRSNADIFOIEZRS-YPAWHYETSA-N 1 1 455.647 4.003 20 0 JIADMO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849482766 1069051900 /nfs/dbraw/zinc/05/19/00/1069051900.db2.gz SISZWNMICBCCGY-VQTJNVASSA-N 1 1 494.467 4.418 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc3ccc(Br)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849487148 1069052787 /nfs/dbraw/zinc/05/27/87/1069052787.db2.gz COKIXHFECLVPKT-HOTGVXAUSA-N 1 1 462.417 4.245 20 0 JIADMO 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 1069052969 /nfs/dbraw/zinc/05/29/69/1069052969.db2.gz YBLXYGTYDYWXAD-ROUUACIJSA-N 1 1 499.965 4.003 20 0 JIADMO COc1cc(CNC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OCc1ccccc1 ZINC000849486651 1069053762 /nfs/dbraw/zinc/05/37/62/1069053762.db2.gz LLNACJMSEUYEJV-DQEYMECFSA-N 1 1 476.621 4.138 20 0 JIADMO CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849487690 1069054667 /nfs/dbraw/zinc/05/46/67/1069054667.db2.gz MFKGWURRQMVLSE-ZWKOTPCHSA-N 1 1 480.440 4.028 20 0 JIADMO CC(=O)c1sc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849489874 1069057457 /nfs/dbraw/zinc/05/74/57/1069057457.db2.gz SYPNQPATTWENDN-UXHICEINSA-N 1 1 451.596 4.199 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](C)c1c(C)noc1C ZINC001300567288 1069060401 /nfs/dbraw/zinc/06/04/01/1069060401.db2.gz KWAALORWSVUSQW-IBGZPJMESA-N 1 1 466.630 4.207 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@H]2C)OCCO4)[C@@H](c2cnn(C)c2)C1 ZINC000849492599 1069062661 /nfs/dbraw/zinc/06/26/61/1069062661.db2.gz SFFFXANDUANYRT-JCTONOIOSA-N 1 1 492.664 4.420 20 0 JIADMO COc1cc([C@H](C)NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OCC(C)C ZINC000849495475 1069066978 /nfs/dbraw/zinc/06/69/78/1069066978.db2.gz CRNDODJRWBHGMM-VJBMBRPKSA-N 1 1 456.631 4.155 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2cc(Br)ccc2F)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849497810 1069069399 /nfs/dbraw/zinc/06/93/99/1069069399.db2.gz QPHIRRXFLFYLEB-RTWAWAEBSA-N 1 1 477.422 4.327 20 0 JIADMO 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CC(C)[N@H+]1CC[C@H](C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)[C@@H](c2cnn(C)c2)C1 ZINC000849503361 1069077634 /nfs/dbraw/zinc/07/76/34/1069077634.db2.gz IEVJSEDJEWLGRM-IZZNHLLZSA-N 1 1 476.669 4.496 20 0 JIADMO CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1Cl ZINC000849502669 1069078654 /nfs/dbraw/zinc/07/86/54/1069078654.db2.gz DMVJAVOSKPEYOK-PZJWPPBQSA-N 1 1 474.049 4.445 20 0 JIADMO CCOc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cn1 ZINC000849502693 1069079479 /nfs/dbraw/zinc/07/94/79/1069079479.db2.gz DRGGTHIZFGZWNR-PKTZIBPZSA-N 1 1 477.609 4.136 20 0 JIADMO COc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cc1NC(=O)c1ccc(Cl)cc1F ZINC000849503804 1069082405 /nfs/dbraw/zinc/08/24/05/1069082405.db2.gz LGUNPPYKTWRHNG-ICSRJNTNSA-N 1 1 499.974 4.148 20 0 JIADMO Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849504890 1069083662 /nfs/dbraw/zinc/08/36/62/1069083662.db2.gz GEZKOODYCWDACR-DHIUTWEWSA-N 1 1 459.594 4.433 20 0 JIADMO Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849505031 1069085292 /nfs/dbraw/zinc/08/52/92/1069085292.db2.gz RDDAHGCVQMFKEA-BJKOFHAPSA-N 1 1 465.642 4.244 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849505313 1069085310 /nfs/dbraw/zinc/08/53/10/1069085310.db2.gz HCPBZELIPIFNCZ-RTBURBONSA-N 1 1 484.442 4.063 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)[C@H](c2cnn(C)c2)C1 ZINC000849505311 1069085423 /nfs/dbraw/zinc/08/54/23/1069085423.db2.gz HCPBZELIPIFNCZ-OALUTQOASA-N 1 1 484.442 4.063 20 0 JIADMO COc1ccc2[nH]cc(C3CCN(C(=O)[C@H]4CC[N@H+](C(C)C)C[C@H]4c4cnn(C)c4)CC3)c2c1 ZINC000849505898 1069086323 /nfs/dbraw/zinc/08/63/23/1069086323.db2.gz KEWJXFUNBDVHIE-DHLKQENFSA-N 1 1 463.626 4.130 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(C)c2ccc(Br)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849507159 1069087178 /nfs/dbraw/zinc/08/71/78/1069087178.db2.gz PECHBAZTSLYTCE-IRXDYDNUSA-N 1 1 453.812 4.313 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849507911 1069090000 /nfs/dbraw/zinc/09/00/00/1069090000.db2.gz RSAMHBCGZQCDED-DNQXCXABSA-N 1 1 452.549 4.418 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001492575111 1069092106 /nfs/dbraw/zinc/09/21/06/1069092106.db2.gz HZPAXMACYYJLIL-JOCHJYFZSA-N 1 1 496.700 4.497 20 0 JIADMO CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849509628 1069092807 /nfs/dbraw/zinc/09/28/07/1069092807.db2.gz YIDOAKQNGIFOMO-YADHBBJMSA-N 1 1 461.448 4.434 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001492575112 1069092627 /nfs/dbraw/zinc/09/26/27/1069092627.db2.gz HZPAXMACYYJLIL-QFIPXVFZSA-N 1 1 496.700 4.497 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC2(c3cccc(Br)c3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849510563 1069095393 /nfs/dbraw/zinc/09/53/93/1069095393.db2.gz RWTQRHJGLPUERD-RTWAWAEBSA-N 1 1 459.432 4.192 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849510835 1069095624 /nfs/dbraw/zinc/09/56/24/1069095624.db2.gz VEXNSRQRQUMUQB-VJBWXMMDSA-N 1 1 473.459 4.230 20 0 JIADMO CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2s1 ZINC000849512472 1069096070 /nfs/dbraw/zinc/09/60/70/1069096070.db2.gz FVYDPECMFFQANQ-QZTJIDSGSA-N 1 1 470.599 4.051 20 0 JIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)cc2)CC1 ZINC001354309615 1069096170 /nfs/dbraw/zinc/09/61/70/1069096170.db2.gz VQDQXAVZTHULTG-UHFFFAOYSA-N 1 1 450.583 4.332 20 0 JIADMO CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849513379 1069097272 /nfs/dbraw/zinc/09/72/72/1069097272.db2.gz SAYPGGNZUZGSQQ-RPWUZVMVSA-N 1 1 467.589 4.121 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC(C)(C)c2cccc(Br)c2)[C@H](c2cnn(C)c2)C1 ZINC000849514897 1069100127 /nfs/dbraw/zinc/10/01/27/1069100127.db2.gz JPFFKGMSTGSDLK-RTWAWAEBSA-N 1 1 461.448 4.091 20 0 JIADMO Cc1ccccc1-c1cc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)n(Cc2ccccc2)n1 ZINC000849515681 1069102392 /nfs/dbraw/zinc/10/23/92/1069102392.db2.gz HGSNCGSOKFZNGU-RPBOFIJWSA-N 1 1 468.605 4.314 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849517968 1069105922 /nfs/dbraw/zinc/10/59/22/1069105922.db2.gz GEDVZKIDNVENAC-ZEQRLZLVSA-N 1 1 464.541 4.231 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCSCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849518068 1069106050 /nfs/dbraw/zinc/10/60/50/1069106050.db2.gz NFTOOACCYVOWHQ-WOJBJXKFSA-N 1 1 462.063 4.079 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)cn1 ZINC000849517759 1069107148 /nfs/dbraw/zinc/10/71/48/1069107148.db2.gz VANWFBBMHDHOHJ-VXKWHMMOSA-N 1 1 473.459 4.280 20 0 JIADMO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n(-c2ccccc2C(F)(F)F)n1 ZINC000849520448 1069111235 /nfs/dbraw/zinc/11/12/35/1069111235.db2.gz ZLPOUAKZCIMPIE-RTBURBONSA-N 1 1 474.531 4.386 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849519817 1069112013 /nfs/dbraw/zinc/11/20/13/1069112013.db2.gz UAZFQMWDERPAEC-RRPNLBNLSA-N 1 1 499.659 4.395 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849519820 1069112890 /nfs/dbraw/zinc/11/28/90/1069112890.db2.gz UAZFQMWDERPAEC-SVBPBHIXSA-N 1 1 499.659 4.395 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849520579 1069113494 /nfs/dbraw/zinc/11/34/94/1069113494.db2.gz ODZTWYNGGDXNQP-PKTZIBPZSA-N 1 1 456.594 4.094 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc3ccccc3n2CCCc2ccccc2)cn1 ZINC000849522328 1069114448 /nfs/dbraw/zinc/11/44/48/1069114448.db2.gz YDMZXWPKMKILTI-PKTZIBPZSA-N 1 1 456.594 4.077 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849521751 1069114794 /nfs/dbraw/zinc/11/47/94/1069114794.db2.gz GRIJUNUKMCMAOM-JWQCQUIFSA-N 1 1 460.578 4.230 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849521963 1069115254 /nfs/dbraw/zinc/11/52/54/1069115254.db2.gz IFPMAWSCANBABH-JWQCQUIFSA-N 1 1 472.593 4.099 20 0 JIADMO 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 1069117501 /nfs/dbraw/zinc/11/75/01/1069117501.db2.gz YSCYGKVPIQAUBL-ZJBJCVSYSA-N 1 1 483.415 4.280 20 0 JIADMO 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 1069118368 /nfs/dbraw/zinc/11/83/68/1069118368.db2.gz LQHPQSWSMNRWPM-OLMNPRSZSA-N 1 1 451.384 4.013 20 0 JIADMO COc1ccccc1Oc1ccc(CNC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849525034 1069119460 /nfs/dbraw/zinc/11/94/60/1069119460.db2.gz MFFJPLNEWVOPKP-BJKOFHAPSA-N 1 1 462.594 4.351 20 0 JIADMO 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 1069120662 /nfs/dbraw/zinc/12/06/62/1069120662.db2.gz YWUUWVYPMDIEGN-ONTIZHBOSA-N 1 1 477.621 4.166 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849526293 1069120854 /nfs/dbraw/zinc/12/08/54/1069120854.db2.gz RLEBDDKKLDCVQC-ZEQRLZLVSA-N 1 1 478.568 4.335 20 0 JIADMO Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)ccc1Cl ZINC000849526930 1069124425 /nfs/dbraw/zinc/12/44/25/1069124425.db2.gz IOTZLFVVFULWJX-FCHUYYIVSA-N 1 1 477.012 4.454 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC23CCOCC3)cn1 ZINC000849535132 1069149018 /nfs/dbraw/zinc/14/90/18/1069149018.db2.gz CRCIALIVOABEPB-DQEYMECFSA-N 1 1 468.617 4.413 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC23CCOCC3)cn1 ZINC000849535132 1069149033 /nfs/dbraw/zinc/14/90/33/1069149033.db2.gz CRCIALIVOABEPB-DQEYMECFSA-N 1 1 468.617 4.413 20 0 JIADMO COc1ccccc1CN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300598127 1069178303 /nfs/dbraw/zinc/17/83/03/1069178303.db2.gz GLVMCLUARWHZIU-JOCHJYFZSA-N 1 1 462.642 4.277 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2nc(-c3cccc(Oc4ccccc4)c3)ns2)cn1 ZINC000849548286 1069186320 /nfs/dbraw/zinc/18/63/20/1069186320.db2.gz MQJFQUMDFRQTSY-VXKWHMMOSA-N 1 1 474.590 4.405 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cn1 ZINC000849548512 1069187949 /nfs/dbraw/zinc/18/79/49/1069187949.db2.gz NZFZXEZUGDVFFT-RBUKOAKNSA-N 1 1 459.472 4.300 20 0 JIADMO CSc1cccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c2ccc(F)c(F)c2)c1 ZINC000849553365 1069194745 /nfs/dbraw/zinc/19/47/45/1069194745.db2.gz JDNAUUMYGYIQCO-LGVFNWMJSA-N 1 1 470.589 4.361 20 0 JIADMO 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 1069198336 /nfs/dbraw/zinc/19/83/36/1069198336.db2.gz KAKLPNOLMXOBFC-VXKWHMMOSA-N 1 1 456.587 4.211 20 0 JIADMO CN(C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000849556206 1069200836 /nfs/dbraw/zinc/20/08/36/1069200836.db2.gz AZKJAIMCOOTSHZ-RBZQAINGSA-N 1 1 454.977 4.496 20 0 JIADMO COc1ccc(-n2c3ccccc3nc2NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849555729 1069202690 /nfs/dbraw/zinc/20/26/90/1069202690.db2.gz SMHYFTCMETXHPC-XZOQPEGZSA-N 1 1 472.593 4.220 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCOc3cc(Br)c(Cl)cc32)[C@H](c2cnn(C)c2)C1 ZINC000849559686 1069208423 /nfs/dbraw/zinc/20/84/23/1069208423.db2.gz VYEOZLLVFJGTEU-CVEARBPZSA-N 1 1 481.822 4.076 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCCC2CCOCC2)CC1 ZINC001300610042 1069213330 /nfs/dbraw/zinc/21/33/30/1069213330.db2.gz JZNDHWFDXJGVSP-UHFFFAOYSA-N 1 1 455.647 4.113 20 0 JIADMO CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849565292 1069215402 /nfs/dbraw/zinc/21/54/02/1069215402.db2.gz SRHLYRBXLBIAHO-JTHBVZDNSA-N 1 1 453.631 4.133 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)[C@@H](c2cnn(C)c2)C1 ZINC000849565836 1069216127 /nfs/dbraw/zinc/21/61/27/1069216127.db2.gz WVLWGQBBCUWIOK-ZDXQCDESSA-N 1 1 452.002 4.188 20 0 JIADMO CCOc1ccc([C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2cccc(Cl)c2)cc1 ZINC000849567556 1069219408 /nfs/dbraw/zinc/21/94/08/1069219408.db2.gz HYDNGBSPMVSLRC-SDHOMARFSA-N 1 1 467.013 4.413 20 0 JIADMO Cc1cc2c(cc1Br)N(C(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)CCC2 ZINC000849570147 1069220945 /nfs/dbraw/zinc/22/09/45/1069220945.db2.gz ZSNNXEXVDFHDHP-PMACEKPBSA-N 1 1 459.432 4.284 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(Br)cc2C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849572388 1069222685 /nfs/dbraw/zinc/22/26/85/1069222685.db2.gz OGARFEFORJMIAK-ZWKOTPCHSA-N 1 1 487.364 4.332 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCCCc3cc(Br)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849574289 1069225327 /nfs/dbraw/zinc/22/53/27/1069225327.db2.gz XGNLITXCBOALIU-RTWAWAEBSA-N 1 1 459.432 4.366 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCCCSC)CC1 ZINC001300615123 1069227989 /nfs/dbraw/zinc/22/79/89/1069227989.db2.gz PGIJBOTYJJYGQN-UHFFFAOYSA-N 1 1 466.655 4.123 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)cn1 ZINC000849576205 1069228395 /nfs/dbraw/zinc/22/83/95/1069228395.db2.gz HRRXOIWRNQRIPL-FGTMMUONSA-N 1 1 473.337 4.028 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2nc(CC34CC5CC(CC(C5)C3)C4)cs2)cn1 ZINC000849581379 1069231522 /nfs/dbraw/zinc/23/15/22/1069231522.db2.gz GSHXITFAILTLAR-HKNBKANMSA-N 1 1 453.656 4.310 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3cccc(Br)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849586151 1069236099 /nfs/dbraw/zinc/23/60/99/1069236099.db2.gz GIYCEDOVTRBFGR-XZOQPEGZSA-N 1 1 473.459 4.403 20 0 JIADMO 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 1069237901 /nfs/dbraw/zinc/23/79/01/1069237901.db2.gz QFDRGPHXBDPAHF-AFYVEPGGSA-N 1 1 477.422 4.198 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849587283 1069238147 /nfs/dbraw/zinc/23/81/47/1069238147.db2.gz SIJVECUAGHOXLI-IPJJNNNSSA-N 1 1 477.422 4.499 20 0 JIADMO Cc1nc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)sc1Cc1cccc(Cl)c1F ZINC000849586745 1069239071 /nfs/dbraw/zinc/23/90/71/1069239071.db2.gz FTBOXUGEVMFMHR-IAGOWNOFSA-N 1 1 461.994 4.242 20 0 JIADMO 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 1069240373 /nfs/dbraw/zinc/24/03/73/1069240373.db2.gz UJUXIEGBCWTCLI-HOTGVXAUSA-N 1 1 460.447 4.493 20 0 JIADMO 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 1069240470 /nfs/dbraw/zinc/24/04/70/1069240470.db2.gz JSEZZJDQGZEARD-UNMCSNQZSA-N 1 1 474.049 4.397 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849589409 1069241006 /nfs/dbraw/zinc/24/10/06/1069241006.db2.gz RCTXWZBCIGUABP-VJBWXMMDSA-N 1 1 488.474 4.100 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc3c(cccc3Br)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849591002 1069242956 /nfs/dbraw/zinc/24/29/56/1069242956.db2.gz BGOATUOARPKYQE-LSDHHAIUSA-N 1 1 462.417 4.245 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)cn1 ZINC000849591651 1069244457 /nfs/dbraw/zinc/24/44/57/1069244457.db2.gz KDCFIQSCCOEXHN-MMKMLUHNSA-N 1 1 457.416 4.291 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)[C@@H](c2cnn(C)c2)C1 ZINC000849594158 1069246501 /nfs/dbraw/zinc/24/65/01/1069246501.db2.gz CWTIEFQXNAYINT-WOJBJXKFSA-N 1 1 485.430 4.036 20 0 JIADMO 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 1069251231 /nfs/dbraw/zinc/25/12/31/1069251231.db2.gz SVTXPLLCDCOVAA-UKDVSSAZSA-N 1 1 468.642 4.079 20 0 JIADMO 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 1069252024 /nfs/dbraw/zinc/25/20/24/1069252024.db2.gz SSOIGLKCBXFSTL-NNWRFLSQSA-N 1 1 497.640 4.221 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849599428 1069255137 /nfs/dbraw/zinc/25/51/37/1069255137.db2.gz NMEJWSJPHPOHPJ-ROUUACIJSA-N 1 1 469.577 4.116 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)cn1 ZINC000849599326 1069255281 /nfs/dbraw/zinc/25/52/81/1069255281.db2.gz AQMIZPQUGZXAIF-FUDKSRODSA-N 1 1 459.619 4.165 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849601423 1069257127 /nfs/dbraw/zinc/25/71/27/1069257127.db2.gz VKGXWJQTGAEEPQ-RPWUZVMVSA-N 1 1 495.668 4.238 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849601300 1069257762 /nfs/dbraw/zinc/25/77/62/1069257762.db2.gz JGJJYDIUVWPXAK-KAYWLYCHSA-N 1 1 456.634 4.257 20 0 JIADMO CCCCOc1ccc(-c2csc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)n2)cc1 ZINC000849607867 1069265734 /nfs/dbraw/zinc/26/57/34/1069265734.db2.gz ZKIYQBQUNMSSHU-NHCUHLMSSA-N 1 1 453.612 4.397 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC2(c3ccccc3Br)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849608946 1069266599 /nfs/dbraw/zinc/26/65/99/1069266599.db2.gz RCMQREMSYJKIPK-OALUTQOASA-N 1 1 459.432 4.192 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC2(c3ccccc3Br)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849608944 1069266898 /nfs/dbraw/zinc/26/68/98/1069266898.db2.gz RCMQREMSYJKIPK-MOPGFXCFSA-N 1 1 459.432 4.192 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2cccc(Oc3ccccc3F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849610250 1069267696 /nfs/dbraw/zinc/26/76/96/1069267696.db2.gz YTGBYMMFSXVRLF-XZOQPEGZSA-N 1 1 450.558 4.482 20 0 JIADMO Cc1ccccc1-n1ncc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1C(F)F ZINC000849610173 1069268015 /nfs/dbraw/zinc/26/80/15/1069268015.db2.gz XWWAGXLTWQZKDI-RBUKOAKNSA-N 1 1 456.541 4.304 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(-c3ccccc3Br)no2)[C@@H](c2cnn(C)c2)C1 ZINC000849612257 1069271742 /nfs/dbraw/zinc/27/17/42/1069271742.db2.gz JIMQJJMOFXVMSD-SJLPKXTDSA-N 1 1 472.387 4.290 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)CCc2cccs2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001492577768 1069283482 /nfs/dbraw/zinc/28/34/82/1069283482.db2.gz WEVBOWTVIRJVBC-UHFFFAOYSA-N 1 1 453.656 4.029 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)CCc2cccs2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001492577768 1069283498 /nfs/dbraw/zinc/28/34/98/1069283498.db2.gz WEVBOWTVIRJVBC-UHFFFAOYSA-N 1 1 453.656 4.029 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC(Cl)=C(Cl)C2)n1CCCn1cc[nH+]c1C ZINC001300639092 1069301679 /nfs/dbraw/zinc/30/16/79/1069301679.db2.gz IKURSUOVJYESIZ-UHFFFAOYSA-N 1 1 477.396 4.360 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC5(CC(=O)CO5)CC4)c32)C1 ZINC001164389141 718827713 /nfs/dbraw/zinc/82/77/13/718827713.db2.gz GVEXLUUICSWINR-QGZVFWFLSA-N 1 1 454.640 4.130 20 0 JIADMO COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164431034 718953957 /nfs/dbraw/zinc/95/39/57/718953957.db2.gz ZLSLYLKJDJZVFU-QHCPKHFHSA-N 1 1 483.056 4.332 20 0 JIADMO CCOC(=O)[C@@]12CCO[C@@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164434656 718978866 /nfs/dbraw/zinc/97/88/66/718978866.db2.gz UQCRQXPWYGIWIX-FQRUVTKNSA-N 1 1 484.666 4.105 20 0 JIADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629658 719073174 /nfs/dbraw/zinc/07/31/74/719073174.db2.gz YPQFMJKVAZPZST-ICSRJNTNSA-N 1 1 476.955 4.343 20 0 JIADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cn1 ZINC001164643587 719235365 /nfs/dbraw/zinc/23/53/65/719235365.db2.gz ZKSWTFVBNIJRHM-FCHUYYIVSA-N 1 1 464.635 4.002 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@H]4[C@H]3CC[C@@H]4OCc3ccncc3)c2c1C ZINC001164656133 719294556 /nfs/dbraw/zinc/29/45/56/719294556.db2.gz WGHWHEVNOJNROS-DPLHUUCSSA-N 1 1 479.650 4.252 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)CC3CC3)C2)n1 ZINC001164656538 719326027 /nfs/dbraw/zinc/32/60/27/719326027.db2.gz XSGHEJVAUUYUPT-SKPFHBQLSA-N 1 1 485.698 4.050 20 0 JIADMO CCn1nnc2c1[C@@H](COC)CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164664405 719361808 /nfs/dbraw/zinc/36/18/08/719361808.db2.gz PPTVKJOAVNTCLV-QZTJIDSGSA-N 1 1 495.697 4.164 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)n1 ZINC001164679048 719544573 /nfs/dbraw/zinc/54/45/73/719544573.db2.gz QTCWRTDQQCMPCO-CEMLEFRQSA-N 1 1 491.661 4.026 20 0 JIADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C3CC3)nc3scc(-c4ccccc4)c31)CC2 ZINC001164690249 719747535 /nfs/dbraw/zinc/74/75/35/719747535.db2.gz WSTBAMNKZMHDFX-UHFFFAOYSA-N 1 1 461.635 4.417 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccnc2)n1 ZINC001164690947 719774639 /nfs/dbraw/zinc/77/46/39/719774639.db2.gz JCGDSWQNUOXVIW-VXKWHMMOSA-N 1 1 484.629 4.195 20 0 JIADMO CC(C)N(C)C(=O)c1noc2c1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164695611 719787555 /nfs/dbraw/zinc/78/75/55/719787555.db2.gz NKQNRYJDGGRQPA-UHFFFAOYSA-N 1 1 494.665 4.197 20 0 JIADMO COc1cc2nc(C)nc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2cc1OC ZINC001164692609 719808886 /nfs/dbraw/zinc/80/88/86/719808886.db2.gz LEVHKEXJNTWAMQ-UHFFFAOYSA-N 1 1 453.612 4.355 20 0 JIADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C(=O)N4CCC(C)CC4)cn2)CC3)cs1 ZINC001164691284 719813457 /nfs/dbraw/zinc/81/34/57/719813457.db2.gz DJLLKCGGWNFWEE-UHFFFAOYSA-N 1 1 453.656 4.354 20 0 JIADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001164706667 719862391 /nfs/dbraw/zinc/86/23/91/719862391.db2.gz YHSNVCBYQOAQHC-MZNJEOGPSA-N 1 1 487.025 4.244 20 0 JIADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(-c2ccc(C)c(C)c2)c2ccccc21 ZINC001164705081 719867899 /nfs/dbraw/zinc/86/78/99/719867899.db2.gz NIEUUONJAQXZTC-RBISFHTESA-N 1 1 474.605 4.146 20 0 JIADMO Cn1cnc2c1cc(C1CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC1)nc2-c1cccnc1 ZINC001164698173 719881495 /nfs/dbraw/zinc/88/14/95/719881495.db2.gz DLTZRQXMHPRIIO-UHFFFAOYSA-N 1 1 483.620 4.282 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001164711165 720096666 /nfs/dbraw/zinc/09/66/66/720096666.db2.gz OUFKYFOMOBWLPN-MRXNPFEDSA-N 1 1 472.367 4.231 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164710720 720106309 /nfs/dbraw/zinc/10/63/09/720106309.db2.gz LJKHKGHNSUBFHQ-MRXNPFEDSA-N 1 1 472.367 4.231 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)nc3cc(Cl)ccc31)CC2 ZINC001164719499 720119573 /nfs/dbraw/zinc/11/95/73/720119573.db2.gz XNSBZVIKFACIEC-OAQYLSRUSA-N 1 1 452.002 4.494 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(OC)c(Cl)n1)CC2 ZINC001164716949 720123388 /nfs/dbraw/zinc/12/33/88/720123388.db2.gz MDGJBMVKOKBUIN-SFHVURJKSA-N 1 1 466.960 4.191 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164714074 720133956 /nfs/dbraw/zinc/13/39/56/720133956.db2.gz VWZHPYMYACSHLE-QFIPXVFZSA-N 1 1 463.557 4.311 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3nc1N1CCCC1)CC2 ZINC001164713024 720138587 /nfs/dbraw/zinc/13/85/87/720138587.db2.gz OYDQFCZIFQCZRA-QHCPKHFHSA-N 1 1 472.637 4.133 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)CC2 ZINC001164712712 720144543 /nfs/dbraw/zinc/14/45/43/720144543.db2.gz OOZYVKSMIZTRBM-HSZRJFAPSA-N 1 1 498.071 4.310 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164817528 720168743 /nfs/dbraw/zinc/16/87/43/720168743.db2.gz PSTYKUPICKJPLQ-HFZDXXHNSA-N 1 1 469.699 4.089 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)C2 ZINC001164819512 720170933 /nfs/dbraw/zinc/17/09/33/720170933.db2.gz XPAPONGHJQPAFB-NBGIEHNGSA-N 1 1 455.002 4.172 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(-c3nc(-c4cccs4)no3)ccn1)C2 ZINC001164814333 720185335 /nfs/dbraw/zinc/18/53/35/720185335.db2.gz FUEORNBIHMUDQF-DVECYGJZSA-N 1 1 451.596 4.045 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(C(F)F)nc3ccc(Cl)cc31)CCC2 ZINC001164817345 720243476 /nfs/dbraw/zinc/24/34/76/720243476.db2.gz QISSUZDRNLNSOC-UHFFFAOYSA-N 1 1 462.932 4.028 20 0 JIADMO CCc1ccc(Oc2nc(Cl)ncc2N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)cc1 ZINC001164816606 720246076 /nfs/dbraw/zinc/24/60/76/720246076.db2.gz KQRIWLBQYUXBMY-UHFFFAOYSA-N 1 1 483.016 4.292 20 0 JIADMO O=C(NCc1cccs1)c1cc(F)c(Cl)nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728323 720406872 /nfs/dbraw/zinc/40/68/72/720406872.db2.gz SYHYWXJMECPMPI-VQTJNVASSA-N 1 1 471.989 4.114 20 0 JIADMO O=C(NCc1cccs1)c1cc(F)c(Cl)nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728325 720407596 /nfs/dbraw/zinc/40/75/96/720407596.db2.gz SYHYWXJMECPMPI-WOJBJXKFSA-N 1 1 471.989 4.114 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)n1 ZINC001164826768 720408826 /nfs/dbraw/zinc/40/88/26/720408826.db2.gz CTPSDLSHZGOIAF-FGTMMUONSA-N 1 1 456.616 4.340 20 0 JIADMO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)CC[C@@H]21 ZINC001164835776 720526693 /nfs/dbraw/zinc/52/66/93/720526693.db2.gz LGZUMXHOTGQIIO-NSVAZKTRSA-N 1 1 470.665 4.214 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)CC[C@@H]21 ZINC001164835776 720526697 /nfs/dbraw/zinc/52/66/97/720526697.db2.gz LGZUMXHOTGQIIO-NSVAZKTRSA-N 1 1 470.665 4.214 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834653 720536210 /nfs/dbraw/zinc/53/62/10/720536210.db2.gz FOICHAZWSFZKBO-DJPFJPOOSA-N 1 1 460.960 4.402 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@@]5(CCC[C@@H]5COc5ccccn5)C4)ccc3C2)cc1 ZINC001164736228 720538382 /nfs/dbraw/zinc/53/83/82/720538382.db2.gz WDOYMMJKIWZTCL-IRPSRAIASA-N 1 1 470.617 4.489 20 0 JIADMO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C2)n1)CCCC3 ZINC001164839703 720598197 /nfs/dbraw/zinc/59/81/97/720598197.db2.gz OCABFABCNUJAQO-SFHLNBCPSA-N 1 1 450.656 4.453 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841318 720598392 /nfs/dbraw/zinc/59/83/92/720598392.db2.gz RVEFYQVHVLBKIL-SLFFLAALSA-N 1 1 487.986 4.311 20 0 JIADMO CCc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C2)n1)CCC3 ZINC001164839487 720599954 /nfs/dbraw/zinc/59/99/54/720599954.db2.gz NKZDIFDFYWOWDB-NLWGTHIKSA-N 1 1 450.656 4.317 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)CC[C@@H]21 ZINC001164841274 720602661 /nfs/dbraw/zinc/60/26/61/720602661.db2.gz RUGCVEGTPWFZGV-WATLYSKOSA-N 1 1 453.594 4.266 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4ccccn4)nc4sccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838771 720632402 /nfs/dbraw/zinc/63/24/02/720632402.db2.gz LSDVJKLHMQDYHG-CNNODRBYSA-N 1 1 459.623 4.328 20 0 JIADMO COC(=O)c1cc(C(F)(F)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cnc1Cl ZINC001164842719 720678891 /nfs/dbraw/zinc/67/88/91/720678891.db2.gz MYROKIJGCIJXRL-IBGZPJMESA-N 1 1 479.955 4.326 20 0 JIADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844566 720683573 /nfs/dbraw/zinc/68/35/73/720683573.db2.gz UKPLPELVWWXFMA-GOSISDBHSA-N 1 1 479.955 4.326 20 0 JIADMO C[N@@H+](Cc1ccc(N2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)nc1)C1CC1 ZINC001164843970 720745028 /nfs/dbraw/zinc/74/50/28/720745028.db2.gz NFKUVSMOSCNOPB-UHFFFAOYSA-N 1 1 456.590 4.463 20 0 JIADMO Clc1ccc2nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164744210 720758079 /nfs/dbraw/zinc/75/80/79/720758079.db2.gz RMOKTJAHDPAZRS-WOJBJXKFSA-N 1 1 458.953 4.082 20 0 JIADMO Clc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)c23)cc1 ZINC001164745376 720758664 /nfs/dbraw/zinc/75/86/64/720758664.db2.gz VIJJCIARLVMBSO-QZTJIDSGSA-N 1 1 464.982 4.144 20 0 JIADMO COc1ccc2c(c1)nc(N1CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C1)cc2-c1ccccc1 ZINC001164743939 720762102 /nfs/dbraw/zinc/76/21/02/720762102.db2.gz QPYMNEAFWMDATQ-IRLDBZIGSA-N 1 1 453.546 4.042 20 0 JIADMO Fc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164750351 720789796 /nfs/dbraw/zinc/78/97/96/720789796.db2.gz VIXJJYYMFOCFAZ-RBUKOAKNSA-N 1 1 475.902 4.218 20 0 JIADMO Fc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164750351 720789810 /nfs/dbraw/zinc/78/98/10/720789810.db2.gz VIXJJYYMFOCFAZ-RBUKOAKNSA-N 1 1 475.902 4.218 20 0 JIADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cnc1Cl ZINC001164742765 720790022 /nfs/dbraw/zinc/79/00/22/720790022.db2.gz DUNXEEMDXZONPK-DLBZAZTESA-N 1 1 475.902 4.218 20 0 JIADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cnc1Cl ZINC001164742765 720790036 /nfs/dbraw/zinc/79/00/36/720790036.db2.gz DUNXEEMDXZONPK-DLBZAZTESA-N 1 1 475.902 4.218 20 0 JIADMO COC[C@@]12CCCO[C@@H]1CCN(c1nc(C[NH+]3CCC(C)CC3)nc3sc4c(c31)CCC4)C2 ZINC001164850835 720827659 /nfs/dbraw/zinc/82/76/59/720827659.db2.gz VEOXIYOEBWTZHQ-RLWLMLJZSA-N 1 1 470.683 4.434 20 0 JIADMO COC[C@]12CCCO[C@@H]1CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164846350 720828915 /nfs/dbraw/zinc/82/89/15/720828915.db2.gz DQEMPBQFWSLBFK-CJFMBICVSA-N 1 1 452.624 4.442 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4F)nc4ccc(Cl)cc43)CC[C@H]2C1 ZINC001164854226 720845054 /nfs/dbraw/zinc/84/50/54/720845054.db2.gz QFAGXYBBIUSWIW-GAJHUEQPSA-N 1 1 470.976 4.263 20 0 JIADMO 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 720845786 /nfs/dbraw/zinc/84/57/86/720845786.db2.gz LAALRLOQAOCMOY-QHAWAJNXSA-N 1 1 451.663 4.043 20 0 JIADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c12 ZINC001164748040 720847052 /nfs/dbraw/zinc/84/70/52/720847052.db2.gz SHMJLKAFHIBDQI-TWJOJJKGSA-N 1 1 496.663 4.067 20 0 JIADMO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C2)n1)CCCCC3 ZINC001164747535 720848019 /nfs/dbraw/zinc/84/80/19/720848019.db2.gz RECMZUYPAJVMEP-TUNNFDKTSA-N 1 1 477.682 4.240 20 0 JIADMO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001164740003 720848255 /nfs/dbraw/zinc/84/82/55/720848255.db2.gz BLMMQJDKSHSUEZ-HFSMHLIXSA-N 1 1 483.979 4.032 20 0 JIADMO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001164740005 720848531 /nfs/dbraw/zinc/84/85/31/720848531.db2.gz BLMMQJDKSHSUEZ-YFVAEKQCSA-N 1 1 483.979 4.032 20 0 JIADMO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)c1 ZINC001164751231 720852987 /nfs/dbraw/zinc/85/29/87/720852987.db2.gz QYURKYSDQOCJJL-AZSVPQILSA-N 1 1 495.631 4.276 20 0 JIADMO COc1cccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)c1 ZINC001164751238 720853091 /nfs/dbraw/zinc/85/30/91/720853091.db2.gz QYURKYSDQOCJJL-VMODYCNZSA-N 1 1 495.631 4.276 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc4ccc(Cl)cc43)CC[C@@H]2C1 ZINC001164853030 720862436 /nfs/dbraw/zinc/86/24/36/720862436.db2.gz GFBACQKKIBHNON-AUSIDOKSSA-N 1 1 452.986 4.124 20 0 JIADMO FC(F)(c1ccc(Cl)nc1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752491 720867283 /nfs/dbraw/zinc/86/72/83/720867283.db2.gz NCJYNJTXIQTQAA-GMAHTHKFSA-N 1 1 462.972 4.430 20 0 JIADMO FC(F)(c1cccc(Cl)n1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755780 720870307 /nfs/dbraw/zinc/87/03/07/720870307.db2.gz YXHYLCFHQNUGED-OFNKIYASSA-N 1 1 462.972 4.430 20 0 JIADMO Clc1nc2ccoc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747998 720875509 /nfs/dbraw/zinc/87/55/09/720875509.db2.gz DFLQDJUQVWEWPT-DVECYGJZSA-N 1 1 453.974 4.026 20 0 JIADMO c1ccc(COc2cncc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164751556 720878360 /nfs/dbraw/zinc/87/83/60/720878360.db2.gz KYUMZDOHYZDALA-WNJJXGMVSA-N 1 1 485.632 4.206 20 0 JIADMO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CCCC2 ZINC001164748397 720878507 /nfs/dbraw/zinc/87/85/07/720878507.db2.gz DPQWLQVPGVBBNT-RLWLMLJZSA-N 1 1 468.045 4.159 20 0 JIADMO FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753853 720879345 /nfs/dbraw/zinc/87/93/45/720879345.db2.gz QEHNDYWLSXYMMN-GCJKJVERSA-N 1 1 498.405 4.478 20 0 JIADMO FC(F)(Oc1cccnc1Cl)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755443 720879862 /nfs/dbraw/zinc/87/98/62/720879862.db2.gz WYQNSCTVAKFFKY-NZQKXSOJSA-N 1 1 478.971 4.310 20 0 JIADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756516 720882683 /nfs/dbraw/zinc/88/26/83/720882683.db2.gz PWUIPNOPWUAHIW-AMGIVPHBSA-N 1 1 499.055 4.370 20 0 JIADMO Clc1cc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cn1 ZINC001164756850 720882936 /nfs/dbraw/zinc/88/29/36/720882936.db2.gz RNNGNCIYCJXJIM-NVQXNPDNSA-N 1 1 464.013 4.433 20 0 JIADMO COC(=O)c1ccc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164756601 720885038 /nfs/dbraw/zinc/88/50/38/720885038.db2.gz QTROEOTXYAIXCO-SVEHJYQDSA-N 1 1 486.616 4.172 20 0 JIADMO 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NC(=S)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2sccc21 ZINC001164748538 720938436 /nfs/dbraw/zinc/93/84/36/720938436.db2.gz GTUVPIMKPIUFPT-RXFWQSSRSA-N 1 1 493.702 4.081 20 0 JIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)[C@H]2C ZINC001164860425 721000471 /nfs/dbraw/zinc/00/04/71/721000471.db2.gz OAXGQXVVXACVMG-HNNXBMFYSA-N 1 1 461.948 4.355 20 0 JIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)[C@H]2C ZINC001164860304 721009155 /nfs/dbraw/zinc/00/91/55/721009155.db2.gz KTPYYFRHTLDBTI-HNNXBMFYSA-N 1 1 461.948 4.355 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CCC[C@]5(C[C@@H](OCc6ccccn6)CO5)C4)ccc3C2)cc1 ZINC001164763731 721027174 /nfs/dbraw/zinc/02/71/74/721027174.db2.gz KTTWXALMSCJXGI-UHSQPCAPSA-N 1 1 470.617 4.380 20 0 JIADMO COc1ccc(-c2nc3ccc(F)cc3c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164868930 721067027 /nfs/dbraw/zinc/06/70/27/721067027.db2.gz RGOZJAUNARFNJE-UPVQGACJSA-N 1 1 485.563 4.319 20 0 JIADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865709 721096968 /nfs/dbraw/zinc/09/69/68/721096968.db2.gz OUEGAAXJURTGIE-SJORKVTESA-N 1 1 480.346 4.356 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5cc(Cl)c(Cl)cc5nc4Cl)C[C@H]3C2)cn1 ZINC001164774057 721101296 /nfs/dbraw/zinc/10/12/96/721101296.db2.gz YTILLWJTXIMPAM-UONOGXRCSA-N 1 1 451.789 4.282 20 0 JIADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865991 721111301 /nfs/dbraw/zinc/11/13/01/721111301.db2.gz QVWBFXVRFAYDDE-IAGOWNOFSA-N 1 1 459.377 4.425 20 0 JIADMO Clc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870283 721184843 /nfs/dbraw/zinc/18/48/43/721184843.db2.gz CGPBIIZELHKWOD-UYAOXDASSA-N 1 1 472.376 4.450 20 0 JIADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866800 721195815 /nfs/dbraw/zinc/19/58/15/721195815.db2.gz DFCWLVBQXFEENI-OALUTQOASA-N 1 1 460.912 4.415 20 0 JIADMO Cc1sc2nc(-c3cccnc3)nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164765877 721198941 /nfs/dbraw/zinc/19/89/41/721198941.db2.gz IOPUWELSJBZEIK-NHCUHLMSSA-N 1 1 459.623 4.062 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(-c5cccs5)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164771903 721205939 /nfs/dbraw/zinc/20/59/39/721205939.db2.gz RWUVSYINHVCOFH-HOTGVXAUSA-N 1 1 464.973 4.095 20 0 JIADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164768916 721244649 /nfs/dbraw/zinc/24/46/49/721244649.db2.gz YMZBXXYMARHSSR-PMACEKPBSA-N 1 1 472.971 4.342 20 0 JIADMO O=C(NC[C@H]1CCC[C@]2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)O1)c1ccccc1 ZINC001164874279 721257070 /nfs/dbraw/zinc/25/70/70/721257070.db2.gz KCEXTDPAZLEWJB-ATIYNZHBSA-N 1 1 469.029 4.279 20 0 JIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3cc(C(=O)OC)c(N4CCCC4)nc3CC2)nc1 ZINC001164775181 721308484 /nfs/dbraw/zinc/30/84/84/721308484.db2.gz ATJQNLUXFWAEPN-DEOSSOPVSA-N 1 1 463.626 4.016 20 0 JIADMO O=C1NC[C@@H](c2ccccc2)C12CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164880385 721317082 /nfs/dbraw/zinc/31/70/82/721317082.db2.gz XHUHXLRKAHSZKG-VWLOTQADSA-N 1 1 452.602 4.140 20 0 JIADMO COc1ccc2nc(Cl)nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164776612 721331488 /nfs/dbraw/zinc/33/14/88/721331488.db2.gz GXUOHTJLERQTGG-DEOSSOPVSA-N 1 1 471.989 4.016 20 0 JIADMO CCOC(=O)c1cc2c(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)[nH]c(C)c(C)c-2n1 ZINC001164782941 721356147 /nfs/dbraw/zinc/35/61/47/721356147.db2.gz NXMPXVSZCGFDSZ-HHHXNRCGSA-N 1 1 495.624 4.080 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)ccc3C)C2)C1 ZINC001164779930 721358211 /nfs/dbraw/zinc/35/82/11/721358211.db2.gz AUNKBBCROKTAGU-NRFANRHFSA-N 1 1 454.949 4.312 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)ccc3C)C2)C1 ZINC001164779930 721358213 /nfs/dbraw/zinc/35/82/13/721358213.db2.gz AUNKBBCROKTAGU-NRFANRHFSA-N 1 1 454.949 4.312 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c(Cl)nccc43)C2)C1 ZINC001164786073 721363940 /nfs/dbraw/zinc/36/39/40/721363940.db2.gz VYABDDCAWHEKNJ-JOCHJYFZSA-N 1 1 477.396 4.055 20 0 JIADMO CCc1nc(Cl)c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(Cl)n1 ZINC001164780226 721368538 /nfs/dbraw/zinc/36/85/38/721368538.db2.gz DIYSJGUBYKDUMI-OAQYLSRUSA-N 1 1 454.402 4.070 20 0 JIADMO CCc1nc(Cl)c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c(Cl)n1 ZINC001164780226 721368541 /nfs/dbraw/zinc/36/85/41/721368541.db2.gz DIYSJGUBYKDUMI-OAQYLSRUSA-N 1 1 454.402 4.070 20 0 JIADMO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164780343 721373925 /nfs/dbraw/zinc/37/39/25/721373925.db2.gz GCKBHBVIRRJXGD-VPUSJEBWSA-N 1 1 467.658 4.352 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164780343 721373927 /nfs/dbraw/zinc/37/39/27/721373927.db2.gz GCKBHBVIRRJXGD-VPUSJEBWSA-N 1 1 467.658 4.352 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(-c4cccc(F)c4)cc3C)C2)C1 ZINC001164781314 721374926 /nfs/dbraw/zinc/37/49/26/721374926.db2.gz JBUWOODIWDFQLB-AREMUKBSSA-N 1 1 465.573 4.315 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nnc(-c4cccc(F)c4)cc3C)C2)C1 ZINC001164781314 721374933 /nfs/dbraw/zinc/37/49/33/721374933.db2.gz JBUWOODIWDFQLB-AREMUKBSSA-N 1 1 465.573 4.315 20 0 JIADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780182 721376556 /nfs/dbraw/zinc/37/65/56/721376556.db2.gz FHTKZRPBTSBVET-GKVSMKOHSA-N 1 1 452.603 4.195 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5scc(-c6cccs6)c54)C3)O2)CC1 ZINC001164894588 721396654 /nfs/dbraw/zinc/39/66/54/721396654.db2.gz ZEPQCJJEGMNQRT-MHECFPHRSA-N 1 1 469.680 4.185 20 0 JIADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)n2)cc1 ZINC001164892877 721421829 /nfs/dbraw/zinc/42/18/29/721421829.db2.gz YZEMMWCFVCHIFF-PWUYWRBVSA-N 1 1 471.649 4.371 20 0 JIADMO Cc1nc2sc3c(c2c(N2CC[C@]4(C2)CCC[C@H](CN2CC[NH+](C)CC2)O4)n1)CCCCC3 ZINC001164891597 721435470 /nfs/dbraw/zinc/43/54/70/721435470.db2.gz HHHHFICLXLOFGH-IBVKSMDESA-N 1 1 469.699 4.034 20 0 JIADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)n2)s1 ZINC001164894427 721439435 /nfs/dbraw/zinc/43/94/35/721439435.db2.gz MNLUUEBDMIFVMA-ZBLYBZFDSA-N 1 1 477.678 4.432 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cccc(-c5ccc(Cl)nn5)c4)C3)O2)CC1 ZINC001164895850 721441168 /nfs/dbraw/zinc/44/11/68/721441168.db2.gz QHOOXDMNZIZZFC-XUZZJYLKSA-N 1 1 492.014 4.107 20 0 JIADMO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C ZINC001164896475 721442087 /nfs/dbraw/zinc/44/20/87/721442087.db2.gz RKXBDFBZCQUZSC-HFZDXXHNSA-N 1 1 470.061 4.179 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C3)O2)CC1 ZINC001164892282 721443416 /nfs/dbraw/zinc/44/34/16/721443416.db2.gz HYNAURHJSACEHK-QPPBQGQZSA-N 1 1 492.014 4.107 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164785225 721450935 /nfs/dbraw/zinc/45/09/35/721450935.db2.gz HKVGROWPSVVVIK-MRXNPFEDSA-N 1 1 479.399 4.062 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(SC)n1)CC2 ZINC001164788562 721451871 /nfs/dbraw/zinc/45/18/71/721451871.db2.gz RJSFSPPLGSCPCH-KRWDZBQOSA-N 1 1 491.048 4.131 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C3)O2)CC1 ZINC001164892752 721453146 /nfs/dbraw/zinc/45/31/46/721453146.db2.gz XVVUMQNJWDOMSL-XXBNENTESA-N 1 1 480.987 4.305 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(SC)nc3ccsc31)CC2 ZINC001164784303 721458336 /nfs/dbraw/zinc/45/83/36/721458336.db2.gz HHAOYDJJHDPSPW-GOSISDBHSA-N 1 1 462.685 4.147 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc(OC)nc1Cl)CC2 ZINC001164783535 721459094 /nfs/dbraw/zinc/45/90/94/721459094.db2.gz DJMJUMAKBJHLPE-GOSISDBHSA-N 1 1 473.992 4.022 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(SC)nc3ccccc31)CC2 ZINC001164790146 721461211 /nfs/dbraw/zinc/46/12/11/721461211.db2.gz ZROWHJLVAYQMPK-FQEVSTJZSA-N 1 1 456.656 4.086 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)nc1 ZINC001164890344 721461936 /nfs/dbraw/zinc/46/19/36/721461936.db2.gz RAFFTKIRJNEUOC-RDGATRHJSA-N 1 1 453.656 4.413 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)nc1 ZINC001164890342 721462086 /nfs/dbraw/zinc/46/20/86/721462086.db2.gz RAFFTKIRJNEUOC-RCZVLFRGSA-N 1 1 453.656 4.413 20 0 JIADMO CCOC(=O)c1cc2c(N3CCC4(C[C@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)[nH]c(C)c(C)c-2n1 ZINC001164788531 721462455 /nfs/dbraw/zinc/46/24/55/721462455.db2.gz TXNPTPNMALRVJP-JOCHJYFZSA-N 1 1 498.668 4.090 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)ccc1C)CC2 ZINC001164785785 721462618 /nfs/dbraw/zinc/46/26/18/721462618.db2.gz NLERTRDYRQEEAN-IBGZPJMESA-N 1 1 457.993 4.322 20 0 JIADMO CCc1nc(Cl)c(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)c(Cl)n1 ZINC001164790624 721468604 /nfs/dbraw/zinc/46/86/04/721468604.db2.gz SNEUHSZJHPAWBU-QGZVFWFLSA-N 1 1 457.446 4.080 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)cc(OCc3ccccc3)n1)CC2 ZINC001164787299 721470698 /nfs/dbraw/zinc/47/06/98/721470698.db2.gz DVQDCIKAPUISNA-RUZDIDTESA-N 1 1 480.653 4.098 20 0 JIADMO CCOC[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)Cc2cnn(C)c21 ZINC001164792124 721477761 /nfs/dbraw/zinc/47/77/61/721477761.db2.gz LWUDLHCQWDSACP-IBGZPJMESA-N 1 1 480.682 4.430 20 0 JIADMO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1S(=O)(=O)Nc1cccc(F)c1)CC2 ZINC001164795822 721502268 /nfs/dbraw/zinc/50/22/68/721502268.db2.gz LXVSLSZAFVICOB-UHFFFAOYSA-N 1 1 495.624 4.298 20 0 JIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1S(=O)(=O)Nc1cccc(F)c1)CC2 ZINC001164795822 721502270 /nfs/dbraw/zinc/50/22/70/721502270.db2.gz LXVSLSZAFVICOB-UHFFFAOYSA-N 1 1 495.624 4.298 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)[C@H]2CCCO[C@H]12 ZINC001164801421 721550639 /nfs/dbraw/zinc/55/06/39/721550639.db2.gz FHFBMIKHFADICA-NXCFDTQHSA-N 1 1 478.600 4.469 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)[C@H]2CCCO[C@H]12 ZINC001164801421 721550643 /nfs/dbraw/zinc/55/06/43/721550643.db2.gz FHFBMIKHFADICA-NXCFDTQHSA-N 1 1 478.600 4.469 20 0 JIADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)CC[N@H+]3C2)c1 ZINC001164905327 721557664 /nfs/dbraw/zinc/55/76/64/721557664.db2.gz GTDHGWIHZGVOAG-WMZOPIPTSA-N 1 1 475.902 4.218 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164806269 721574962 /nfs/dbraw/zinc/57/49/62/721574962.db2.gz PNCKHHVDRBVCQZ-UPRLRBBYSA-N 1 1 465.601 4.484 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164806269 721574966 /nfs/dbraw/zinc/57/49/66/721574966.db2.gz PNCKHHVDRBVCQZ-UPRLRBBYSA-N 1 1 465.601 4.484 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164806268 721575355 /nfs/dbraw/zinc/57/53/55/721575355.db2.gz PNCKHHVDRBVCQZ-JCYYIGJDSA-N 1 1 465.601 4.484 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164806268 721575360 /nfs/dbraw/zinc/57/53/60/721575360.db2.gz PNCKHHVDRBVCQZ-JCYYIGJDSA-N 1 1 465.601 4.484 20 0 JIADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164804005 721577084 /nfs/dbraw/zinc/57/70/84/721577084.db2.gz KQRYSUSXLRFWCP-IFKAHUTRSA-N 1 1 472.637 4.272 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)ncnc32)[C@H]2CCCO[C@@H]12 ZINC001164806152 721580852 /nfs/dbraw/zinc/58/08/52/721580852.db2.gz MCDRPWCDKBZHSL-QKNQBKEWSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)ncnc32)[C@H]2CCCO[C@@H]12 ZINC001164806152 721580856 /nfs/dbraw/zinc/58/08/56/721580856.db2.gz MCDRPWCDKBZHSL-QKNQBKEWSA-N 1 1 459.928 4.091 20 0 JIADMO COC(=O)c1ccc2nc(Cl)c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164907468 721586364 /nfs/dbraw/zinc/58/63/64/721586364.db2.gz TZHKBLFETYMARF-QHCPKHFHSA-N 1 1 487.938 4.203 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccncc3)nc3sccc32)[C@H]2CCCO[C@@H]12 ZINC001164810164 721587077 /nfs/dbraw/zinc/58/70/77/721587077.db2.gz UXBKPUWGUZSHNG-BHDDXSALSA-N 1 1 458.591 4.017 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccncc3)nc3sccc32)[C@H]2CCCO[C@@H]12 ZINC001164810164 721587080 /nfs/dbraw/zinc/58/70/80/721587080.db2.gz UXBKPUWGUZSHNG-BHDDXSALSA-N 1 1 458.591 4.017 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC[C@@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)nc1 ZINC001165008028 721691825 /nfs/dbraw/zinc/69/18/25/721691825.db2.gz IBYCKMAGOCLFCX-UODYQJQCSA-N 1 1 463.626 4.426 20 0 JIADMO COc1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)n1 ZINC001164904813 721702235 /nfs/dbraw/zinc/70/22/35/721702235.db2.gz GQNOVVQFYFJTQV-LJQANCHMSA-N 1 1 458.887 4.421 20 0 JIADMO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908300 721709126 /nfs/dbraw/zinc/70/91/26/721709126.db2.gz WXJBZWWLTLIELG-QHCPKHFHSA-N 1 1 477.987 4.396 20 0 JIADMO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164904188 721709136 /nfs/dbraw/zinc/70/91/36/721709136.db2.gz AJXHKBSCUNGGCS-QHCPKHFHSA-N 1 1 477.987 4.396 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904209 721710416 /nfs/dbraw/zinc/71/04/16/721710416.db2.gz APIUJZHAMVLBPT-QFIPXVFZSA-N 1 1 464.944 4.353 20 0 JIADMO COc1cccc(Oc2cncc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164907662 721716502 /nfs/dbraw/zinc/71/65/02/721716502.db2.gz SKEKDQXOZTURBB-XMMPIXPASA-N 1 1 467.520 4.410 20 0 JIADMO COc1ccc(OC)c(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)c1 ZINC001164912934 721729838 /nfs/dbraw/zinc/72/98/38/721729838.db2.gz RHXAYDHBVPMJAJ-RUZDIDTESA-N 1 1 481.547 4.294 20 0 JIADMO COC(=O)c1cccc2nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ccc21 ZINC001164910532 721732441 /nfs/dbraw/zinc/73/24/41/721732441.db2.gz FSIIPXOCXHPSEZ-XMMPIXPASA-N 1 1 452.505 4.154 20 0 JIADMO FC1(F)CCN(c2nc(Cl)cc(-c3ccncc3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913075 721735773 /nfs/dbraw/zinc/73/57/73/721735773.db2.gz SCHXRDPUDVBAFP-QFIPXVFZSA-N 1 1 456.928 4.325 20 0 JIADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)CC1 ZINC001165011930 721739006 /nfs/dbraw/zinc/73/90/06/721739006.db2.gz XYYNNSXRYIFOKP-UHFFFAOYSA-N 1 1 472.367 4.005 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1Cl ZINC001164908000 721750358 /nfs/dbraw/zinc/75/03/58/721750358.db2.gz FYJPYIXBFRJOKS-UHFFFAOYSA-N 1 1 476.911 4.249 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1Cl ZINC001164908000 721750361 /nfs/dbraw/zinc/75/03/61/721750361.db2.gz FYJPYIXBFRJOKS-UHFFFAOYSA-N 1 1 476.911 4.249 20 0 JIADMO O=C(c1ccco1)N1C[C@H]2CCCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)[C@@H]2C1 ZINC001165014458 721772208 /nfs/dbraw/zinc/77/22/08/721772208.db2.gz CSGDBZROFJGFME-UYAOXDASSA-N 1 1 491.661 4.500 20 0 JIADMO O=C1[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2CN1c1cccnc1 ZINC001165018351 721792087 /nfs/dbraw/zinc/79/20/87/721792087.db2.gz IBTSXAFKVMUUHW-WIYYLYMNSA-N 1 1 488.661 4.050 20 0 JIADMO COC(=O)c1ccc2nc(Cl)c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2c1 ZINC001165028196 721802529 /nfs/dbraw/zinc/80/25/29/721802529.db2.gz ZAZRXSNARNAUSR-LQBOVUBWSA-N 1 1 465.985 4.202 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(=O)NC(C)(C)C)cc(Cl)n3)C[C@H]21 ZINC001165026206 721815303 /nfs/dbraw/zinc/81/53/03/721815303.db2.gz PMYVOPFLYVBJFM-IOMROCGXSA-N 1 1 456.034 4.395 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)C[C@H]21 ZINC001165027518 721828859 /nfs/dbraw/zinc/82/88/59/721828859.db2.gz SMUUCBMOVXXLGE-QXAKKESOSA-N 1 1 474.943 4.462 20 0 JIADMO COc1ccc(CN(C)c2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)n2)cc1 ZINC001165027057 721829333 /nfs/dbraw/zinc/82/93/33/721829333.db2.gz RKIWSAAQBBIZJI-HRNNMHKYSA-N 1 1 472.637 4.254 20 0 JIADMO CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cnc1Cl ZINC001165026747 721832069 /nfs/dbraw/zinc/83/20/69/721832069.db2.gz PZAXOZNFQFCDEN-DBVUQKKJSA-N 1 1 499.027 4.205 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4COC[C@@]4(COCc4ccccn4)C3)c2c1C ZINC001164924390 721839914 /nfs/dbraw/zinc/83/99/14/721839914.db2.gz MHHCUJGIPXHVKU-KDYSTLNUSA-N 1 1 493.677 4.359 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3cnc(Cn4cccn4)c3C2)n1 ZINC001164938432 721915505 /nfs/dbraw/zinc/91/55/05/721915505.db2.gz OJLCLMIXLJGZAZ-UHFFFAOYSA-N 1 1 464.643 4.002 20 0 JIADMO c1cnn(Cc2ncn3c2CN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CCCC5)CCC3)c1 ZINC001164937896 721915797 /nfs/dbraw/zinc/91/57/97/721915797.db2.gz GYQVWRGXXHCMIH-UHFFFAOYSA-N 1 1 488.665 4.018 20 0 JIADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c21 ZINC001164939139 721920066 /nfs/dbraw/zinc/92/00/66/721920066.db2.gz SFAYEOUNROQIHQ-UHFFFAOYSA-N 1 1 499.615 4.239 20 0 JIADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164940542 721927283 /nfs/dbraw/zinc/92/72/83/721927283.db2.gz SUWHVPPAICYCBH-UHFFFAOYSA-N 1 1 471.045 4.397 20 0 JIADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164940629 721928649 /nfs/dbraw/zinc/92/86/49/721928649.db2.gz VAIWRYHGRPCAKQ-UHFFFAOYSA-N 1 1 494.636 4.033 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc(C(=O)Nc5nncs5)cc4Cl)CC3)C2)cc1 ZINC001164939691 721931986 /nfs/dbraw/zinc/93/19/86/721931986.db2.gz OPNODDZUVBNICX-UHFFFAOYSA-N 1 1 499.040 4.019 20 0 JIADMO Clc1nc2c(ncn2Cc2ccccc2)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952084 722015059 /nfs/dbraw/zinc/01/50/59/722015059.db2.gz GZEJZPXAUXZBHO-UHFFFAOYSA-N 1 1 474.012 4.416 20 0 JIADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952104 722017072 /nfs/dbraw/zinc/01/70/72/722017072.db2.gz HHNYNWOFGQTAOP-UHFFFAOYSA-N 1 1 465.985 4.347 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)n1 ZINC001164957081 722029679 /nfs/dbraw/zinc/02/96/79/722029679.db2.gz LBVPPUFOKPAZEZ-JQVVWYNYSA-N 1 1 485.629 4.499 20 0 JIADMO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963812 722054652 /nfs/dbraw/zinc/05/46/52/722054652.db2.gz MEKVKPMWEJJSJZ-UHFFFAOYSA-N 1 1 473.955 4.342 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)n1 ZINC001164976792 722090552 /nfs/dbraw/zinc/09/05/52/722090552.db2.gz SKZKRCIJOMMRRK-ICSRJNTNSA-N 1 1 499.706 4.150 20 0 JIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164985430 722138871 /nfs/dbraw/zinc/13/88/71/722138871.db2.gz ZKTSGDRWUBHMJW-KNQAVFIVSA-N 1 1 480.996 4.187 20 0 JIADMO 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Cc1cccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001492499700 1066259814 /nfs/dbraw/zinc/25/98/14/1066259814.db2.gz VAOBIVMZPPTWJJ-RIPCNWKXSA-N 1 1 480.682 4.143 20 0 JIADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001325705777 1066265028 /nfs/dbraw/zinc/26/50/28/1066265028.db2.gz PLYBPLUYLBSDQB-RUZDIDTESA-N 1 1 496.055 4.010 20 0 JIADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001325705778 1066265188 /nfs/dbraw/zinc/26/51/88/1066265188.db2.gz PLYBPLUYLBSDQB-VWLOTQADSA-N 1 1 496.055 4.010 20 0 JIADMO CSC[C@H]1CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001316437911 1066291731 /nfs/dbraw/zinc/29/17/31/1066291731.db2.gz SHERSNSNGKXJCE-RBUKOAKNSA-N 1 1 482.069 4.306 20 0 JIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(-n3cccn3)c(F)c2)c1 ZINC001326465578 1066297480 /nfs/dbraw/zinc/29/74/80/1066297480.db2.gz OHOHZYUCMVMLGM-MRXNPFEDSA-N 1 1 453.493 4.216 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(-n3cccn3)c(F)c2)c1 ZINC001326465578 1066297492 /nfs/dbraw/zinc/29/74/92/1066297492.db2.gz OHOHZYUCMVMLGM-MRXNPFEDSA-N 1 1 453.493 4.216 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)[C@H](c2cnn(C)c2)C1 ZINC001327056898 1066310070 /nfs/dbraw/zinc/31/00/70/1066310070.db2.gz QTMYCCPIRAKPBR-GOTSBHOMSA-N 1 1 454.615 4.147 20 0 JIADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3ccc(OC)c(-c4ccc(OC)cc4)c3)CC2)CC1 ZINC001327151031 1066311467 /nfs/dbraw/zinc/31/14/67/1066311467.db2.gz RVEIXZWRASSTKV-UHFFFAOYSA-N 1 1 494.636 4.169 20 0 JIADMO Cc1cccc(-c2nnc(N(CC(C)C)C(C)C)n2CCCN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001492504021 1066318050 /nfs/dbraw/zinc/31/80/50/1066318050.db2.gz FUHYMQFRUPJTNI-UHFFFAOYSA-N 1 1 476.673 4.127 20 0 JIADMO Cc1cccc(-c2nnc(N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)n2CC[S@](=O)C(C)(C)C)n1 ZINC001492509057 1066336085 /nfs/dbraw/zinc/33/60/85/1066336085.db2.gz GNYAIFXMPDHTCK-JBUCUFAESA-N 1 1 494.709 4.297 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(OC(C)(C)C)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492511327 1066345083 /nfs/dbraw/zinc/34/50/83/1066345083.db2.gz VEKUOXNTMLRIHJ-OYRHEFFESA-N 1 1 484.689 4.320 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)n1 ZINC001492512072 1066349394 /nfs/dbraw/zinc/34/93/94/1066349394.db2.gz VCWRHEIGNXJUDG-HXUWFJFHSA-N 1 1 499.704 4.366 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001492513335 1066352990 /nfs/dbraw/zinc/35/29/90/1066352990.db2.gz AIMYPVIWRZWESF-VXKWHMMOSA-N 1 1 481.689 4.044 20 0 JIADMO CSCCCCn1c(Cc2ccccn2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001316461316 1066357093 /nfs/dbraw/zinc/35/70/93/1066357093.db2.gz PWSIXOYVEMQREH-OAQYLSRUSA-N 1 1 450.656 4.118 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCOc2ccc(F)cc2)n1 ZINC001492515480 1066360634 /nfs/dbraw/zinc/36/06/34/1066360634.db2.gz AVNVIAXMPFRGMJ-UHFFFAOYSA-N 1 1 452.578 4.177 20 0 JIADMO Cc1cccc(-c2nnc(N3CCN(c4ccc(C)c(C)c4)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001492518087 1066375348 /nfs/dbraw/zinc/37/53/48/1066375348.db2.gz RBXXNUCLOZVOIW-UHFFFAOYSA-N 1 1 461.658 4.322 20 0 JIADMO CSCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001316470703 1066376951 /nfs/dbraw/zinc/37/69/51/1066376951.db2.gz NJPWMZIIVFCXLK-XZOQPEGZSA-N 1 1 457.688 4.274 20 0 JIADMO CSCCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001316471853 1066379338 /nfs/dbraw/zinc/37/93/38/1066379338.db2.gz MRQVPFREUYAIAK-GBESFXJTSA-N 1 1 489.690 4.012 20 0 JIADMO Cc1cccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001492519689 1066383244 /nfs/dbraw/zinc/38/32/44/1066383244.db2.gz SYNOZDGXODYTSM-RCZVLFRGSA-N 1 1 462.642 4.420 20 0 JIADMO Cc1cccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001492519690 1066383311 /nfs/dbraw/zinc/38/33/11/1066383311.db2.gz SYNOZDGXODYTSM-RDGATRHJSA-N 1 1 462.642 4.420 20 0 JIADMO O=C(Nc1ccc(CNc2cc[nH+]c(NCc3ccc(NC(=O)C4CC4)cc3)n2)cc1)C1CC1 ZINC001334860038 1066399788 /nfs/dbraw/zinc/39/97/88/1066399788.db2.gz SKGZTZMYBLADPM-UHFFFAOYSA-N 1 1 456.550 4.398 20 0 JIADMO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)C[C@H]1C(F)(F)F ZINC001316490300 1066423977 /nfs/dbraw/zinc/42/39/77/1066423977.db2.gz PZGNBKOJURWPED-VQIMIIECSA-N 1 1 453.940 4.419 20 0 JIADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCCCN(C)c1ccccc1 ZINC001316492211 1066428983 /nfs/dbraw/zinc/42/89/83/1066428983.db2.gz FIDCTIPWCJPYDM-HSZRJFAPSA-N 1 1 482.717 4.473 20 0 JIADMO O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001336268496 1066434366 /nfs/dbraw/zinc/43/43/66/1066434366.db2.gz AXKRSQJEMCNGFF-HNNXBMFYSA-N 1 1 458.937 4.269 20 0 JIADMO Cc1cccc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001492528940 1066435960 /nfs/dbraw/zinc/43/59/60/1066435960.db2.gz XNPCVSKLIGPTEK-NRFANRHFSA-N 1 1 496.631 4.050 20 0 JIADMO Cc1cccc(CCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001492528940 1066435983 /nfs/dbraw/zinc/43/59/83/1066435983.db2.gz XNPCVSKLIGPTEK-NRFANRHFSA-N 1 1 496.631 4.050 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCCCO2)n1CC(F)(F)Br ZINC001316497065 1066448568 /nfs/dbraw/zinc/44/85/68/1066448568.db2.gz OKVLCDFRDSUSHK-SJLPKXTDSA-N 1 1 484.389 4.218 20 0 JIADMO Cc1cccc(CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)n1 ZINC001492530941 1066449063 /nfs/dbraw/zinc/44/90/63/1066449063.db2.gz NXPNDYDXCAXPQB-UHFFFAOYSA-N 1 1 453.034 4.389 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2)C[C@H](C)O1 ZINC001316505661 1066480203 /nfs/dbraw/zinc/48/02/03/1066480203.db2.gz SKZDNJOIOYMHSL-JQVVWYNYSA-N 1 1 494.105 4.342 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCCS2)C[C@H](C)O1 ZINC001316505661 1066480218 /nfs/dbraw/zinc/48/02/18/1066480218.db2.gz SKZDNJOIOYMHSL-JQVVWYNYSA-N 1 1 494.105 4.342 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)c1 ZINC001337780272 1066510615 /nfs/dbraw/zinc/51/06/15/1066510615.db2.gz WSTCGZLNAOYVLZ-HSZRJFAPSA-N 1 1 475.568 4.118 20 0 JIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)c1 ZINC001337780272 1066510632 /nfs/dbraw/zinc/51/06/32/1066510632.db2.gz WSTCGZLNAOYVLZ-HSZRJFAPSA-N 1 1 475.568 4.118 20 0 JIADMO COc1cc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)ccc1OCc1ccc(Br)s1 ZINC001338046400 1066526920 /nfs/dbraw/zinc/52/69/20/1066526920.db2.gz OUAVPZUJXGOCRZ-MRXNPFEDSA-N 1 1 465.413 4.409 20 0 JIADMO O=C(Nc1cc(F)ccc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1cccc(Br)c1 ZINC001338046302 1066527144 /nfs/dbraw/zinc/52/71/44/1066527144.db2.gz KRNCYSSIDVDXFZ-SFHVURJKSA-N 1 1 460.347 4.151 20 0 JIADMO O=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001338310951 1066545216 /nfs/dbraw/zinc/54/52/16/1066545216.db2.gz ONKXDFIRDLBTNI-UHFFFAOYSA-N 1 1 450.608 4.151 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2CC[C@@H](C)C2)c1 ZINC001492538246 1066604300 /nfs/dbraw/zinc/60/43/00/1066604300.db2.gz XPAFDAANDDLQDC-DHIUTWEWSA-N 1 1 469.674 4.396 20 0 JIADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001316588304 1066614549 /nfs/dbraw/zinc/61/45/49/1066614549.db2.gz HPXJISRKKGJVIZ-LJQANCHMSA-N 1 1 469.939 4.144 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001492538851 1066620810 /nfs/dbraw/zinc/62/08/10/1066620810.db2.gz UBAPGIRQHDNISK-UHFFFAOYSA-N 1 1 486.064 4.453 20 0 JIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)OCc3nnc(-c4ccc(Br)cc4)o3)cc2)C[C@@H](C)O1 ZINC001344994813 1066637174 /nfs/dbraw/zinc/63/71/74/1066637174.db2.gz GLVMCAFSEKHWEZ-HZPDHXFCSA-N 1 1 486.366 4.465 20 0 JIADMO O=C(Cc1coc(-c2ccccc2)n1)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001317732295 1066654101 /nfs/dbraw/zinc/65/41/01/1066654101.db2.gz WCNGPNPDTVPHML-UHFFFAOYSA-N 1 1 452.558 4.323 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3SCC(=O)N3CCCC3)CC2)cc1 ZINC001317834526 1066719614 /nfs/dbraw/zinc/71/96/14/1066719614.db2.gz APXAYRZGGQOAPU-UHFFFAOYSA-N 1 1 451.636 4.058 20 0 JIADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001348372160 1066739854 /nfs/dbraw/zinc/73/98/54/1066739854.db2.gz RPTVQQRVSGFHGP-XMMPIXPASA-N 1 1 490.570 4.126 20 0 JIADMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001348372958 1066740669 /nfs/dbraw/zinc/74/06/69/1066740669.db2.gz VONYGSSOUMPONB-UHFFFAOYSA-N 1 1 478.568 4.239 20 0 JIADMO CCc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cs2)cc1 ZINC001348476127 1066748494 /nfs/dbraw/zinc/74/84/94/1066748494.db2.gz LWNKQZOIFDRCBF-AVRDEDQJSA-N 1 1 463.603 4.309 20 0 JIADMO COc1cc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)ccc1OCC(F)(F)F ZINC001317878952 1066749942 /nfs/dbraw/zinc/74/99/42/1066749942.db2.gz SCCZFZWWDWSQLZ-UHFFFAOYSA-N 1 1 465.516 4.362 20 0 JIADMO COc1ccc(-c2cc(NC(=O)NCC[NH+]3CCN(c4ccccc4)CC3)ccc2OC)cc1 ZINC001317887849 1066757864 /nfs/dbraw/zinc/75/78/64/1066757864.db2.gz UWRJTPZYXRWXLQ-UHFFFAOYSA-N 1 1 460.578 4.315 20 0 JIADMO COc1cccc(NC(=O)[C@H]([NH2+]CCNC(=O)c2ccccc2C(F)(F)F)c2ccccc2)c1 ZINC001317899305 1066769709 /nfs/dbraw/zinc/76/97/09/1066769709.db2.gz QFVKTPLSJWJBFI-JOCHJYFZSA-N 1 1 471.479 4.413 20 0 JIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCNC(=O)c3ccccc3C(F)(F)F)cc2)C1 ZINC001317910846 1066780528 /nfs/dbraw/zinc/78/05/28/1066780528.db2.gz QDGGVWGBAUTGTN-SFHVURJKSA-N 1 1 476.543 4.167 20 0 JIADMO COC(=O)c1coc(/C=C/C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c1 ZINC001348921850 1066789804 /nfs/dbraw/zinc/78/98/04/1066789804.db2.gz KRXIBZTXNKRRRL-RMKNXTFCSA-N 1 1 454.523 4.291 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)CSc2nnc(COc3c(C)cccc3C)n2-c2ccccc2)C1 ZINC001318047161 1066870063 /nfs/dbraw/zinc/87/00/63/1066870063.db2.gz XGCWSMPDMMLKNU-JOCHJYFZSA-N 1 1 493.677 4.403 20 0 JIADMO CCNC(=O)COc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001349713198 1066875685 /nfs/dbraw/zinc/87/56/85/1066875685.db2.gz QPIQDIFXKXGQKN-RRPNLBNLSA-N 1 1 471.601 4.364 20 0 JIADMO O=C(c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318065507 1066881494 /nfs/dbraw/zinc/88/14/94/1066881494.db2.gz VJKPJFDAIDKALA-HXUWFJFHSA-N 1 1 455.484 4.263 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)C1 ZINC001318084006 1066891947 /nfs/dbraw/zinc/89/19/47/1066891947.db2.gz FSFACAFPZOEZLD-GOSISDBHSA-N 1 1 453.587 4.014 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)C1 ZINC001318084773 1066892495 /nfs/dbraw/zinc/89/24/95/1066892495.db2.gz VJBBAEWZFWBUGR-CMTYHFORSA-N 1 1 479.621 4.036 20 0 JIADMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001318141193 1066920684 /nfs/dbraw/zinc/92/06/84/1066920684.db2.gz FQKPDWHVIUQSGS-JWQCQUIFSA-N 1 1 488.657 4.452 20 0 JIADMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001318141193 1066920700 /nfs/dbraw/zinc/92/07/00/1066920700.db2.gz FQKPDWHVIUQSGS-JWQCQUIFSA-N 1 1 488.657 4.452 20 0 JIADMO O=C(Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)c1ccnc(OC(F)F)c1 ZINC001350124353 1066921055 /nfs/dbraw/zinc/92/10/55/1066921055.db2.gz ZSSFQQQOJYKKDS-UHFFFAOYSA-N 1 1 452.505 4.253 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001492547546 1066931020 /nfs/dbraw/zinc/93/10/20/1066931020.db2.gz BMNZTAFPJKPEII-UKILVPOCSA-N 1 1 469.674 4.395 20 0 JIADMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cccc(CSc3cc(C)ccc3C)c2)CC1 ZINC001350290579 1066941037 /nfs/dbraw/zinc/94/10/37/1066941037.db2.gz DOUVCDOGFXVEJY-UHFFFAOYSA-N 1 1 453.652 4.316 20 0 JIADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)C[C@@H](C)O1 ZINC001318183178 1066944601 /nfs/dbraw/zinc/94/46/01/1066944601.db2.gz KDTJXQUCNUTHOM-PWHSHALESA-N 1 1 459.594 4.012 20 0 JIADMO C[C@@H](C(=O)Nc1cccc(I)c1)[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001318188225 1066947702 /nfs/dbraw/zinc/94/77/02/1066947702.db2.gz RNLUQRFMVOKPBM-VBKZILBWSA-N 1 1 489.357 4.066 20 0 JIADMO CCNC(=O)c1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001350373575 1066949775 /nfs/dbraw/zinc/94/97/75/1066949775.db2.gz KDJDCGIPWOOBPD-GGXMVOPNSA-N 1 1 455.602 4.142 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001318209375 1066960061 /nfs/dbraw/zinc/96/00/61/1066960061.db2.gz CIUKJASZKXKTDP-GOSISDBHSA-N 1 1 465.985 4.189 20 0 JIADMO CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)NCCC[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC001318227698 1066971649 /nfs/dbraw/zinc/97/16/49/1066971649.db2.gz WOMORTIZUWJJTR-UHFFFAOYSA-N 1 1 479.602 4.452 20 0 JIADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001350564296 1066972070 /nfs/dbraw/zinc/97/20/70/1066972070.db2.gz MTLQPVFDLSZCSN-GHTZIAJQSA-N 1 1 457.640 4.467 20 0 JIADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001350564296 1066972082 /nfs/dbraw/zinc/97/20/82/1066972082.db2.gz MTLQPVFDLSZCSN-GHTZIAJQSA-N 1 1 457.640 4.467 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CC=CC[C@H]3c3nc4ccccc4s3)c2)CC1 ZINC001318249100 1066983157 /nfs/dbraw/zinc/98/31/57/1066983157.db2.gz YJSDHGAGUSAEJF-XZOQPEGZSA-N 1 1 460.647 4.410 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001492548126 1066985644 /nfs/dbraw/zinc/98/56/44/1066985644.db2.gz SMLICVGRAQILSP-LADGPHEKSA-N 1 1 455.647 4.291 20 0 JIADMO C[NH+]1CCN([C@H](c2nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)c2ccccc2)CC1 ZINC001350674660 1066987308 /nfs/dbraw/zinc/98/73/08/1066987308.db2.gz SIEYDSQNUGIRKK-YADHBBJMSA-N 1 1 463.582 4.021 20 0 JIADMO CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318263437 1066990462 /nfs/dbraw/zinc/99/04/62/1066990462.db2.gz UOQOPSBYHNGEIH-NRFANRHFSA-N 1 1 465.623 4.039 20 0 JIADMO CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC001350875208 1067014241 /nfs/dbraw/zinc/01/42/41/1067014241.db2.gz JALSZEPKNWXKCS-OAQYLSRUSA-N 1 1 452.020 4.229 20 0 JIADMO CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC001350875207 1067014314 /nfs/dbraw/zinc/01/43/14/1067014314.db2.gz JALSZEPKNWXKCS-NRFANRHFSA-N 1 1 452.020 4.229 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Nc3ccc(SC(F)(F)F)cc3)c2)C1 ZINC001318322080 1067016215 /nfs/dbraw/zinc/01/62/15/1067016215.db2.gz DJWCIOAWJJFSNP-KRWDZBQOSA-N 1 1 466.529 4.318 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCS[C@H](C)[C@H]2C)n1CCn1cc[nH+]c1C ZINC001300686401 1067028872 /nfs/dbraw/zinc/02/88/72/1067028872.db2.gz GPZYGIPPLJDTQO-IAGOWNOFSA-N 1 1 458.657 4.114 20 0 JIADMO CC(C)(C)OC(=O)[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)Cc2ccccc21 ZINC001300687000 1067030221 /nfs/dbraw/zinc/03/02/21/1067030221.db2.gz IKQWYAMJUIFWCJ-DHIUTWEWSA-N 1 1 452.620 4.244 20 0 JIADMO O=C(c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318394489 1067037115 /nfs/dbraw/zinc/03/71/15/1067037115.db2.gz KAGCIWRSHXMZPG-GFCCVEGCSA-N 1 1 463.838 4.187 20 0 JIADMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318418689 1067040105 /nfs/dbraw/zinc/04/01/05/1067040105.db2.gz TWBDFOIKKYMZBM-UHFFFAOYSA-N 1 1 495.649 4.284 20 0 JIADMO COc1ccc(C(NC(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)c2ccc(OC)cc2)cc1 ZINC001318435185 1067042897 /nfs/dbraw/zinc/04/28/97/1067042897.db2.gz VXEJSDMHRURVPN-UHFFFAOYSA-N 1 1 488.632 4.040 20 0 JIADMO CCOC(=O)N1CCC[C@H](C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)C1 ZINC001354691067 1067043683 /nfs/dbraw/zinc/04/36/83/1067043683.db2.gz BAAJGHUQORZYSK-IBGZPJMESA-N 1 1 459.587 4.067 20 0 JIADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)cc1 ZINC001318462215 1067046163 /nfs/dbraw/zinc/04/61/63/1067046163.db2.gz CVSGZBQDMPMWRR-UHFFFAOYSA-N 1 1 477.436 4.120 20 0 JIADMO CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CCCCCC1 ZINC001351204579 1067059255 /nfs/dbraw/zinc/05/92/55/1067059255.db2.gz PHUKWCGOBOQEHP-HSZRJFAPSA-N 1 1 459.631 4.364 20 0 JIADMO C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1cc2c(cc1Br)OCCO2 ZINC001354775157 1067091843 /nfs/dbraw/zinc/09/18/43/1067091843.db2.gz ZKBGOEWPFNYGKQ-BUXKBTBVSA-N 1 1 453.764 4.354 20 0 JIADMO CCOc1ccc2c(c1)CN(Cn1nc(C[NH+]3CCCC3)n(Cc3ccccc3)c1=S)CC2 ZINC001320751565 1067092786 /nfs/dbraw/zinc/09/27/86/1067092786.db2.gz YEAIARPRLGSACC-UHFFFAOYSA-N 1 1 463.651 4.473 20 0 JIADMO CC(C)N1C(=O)C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001351475325 1067102001 /nfs/dbraw/zinc/10/20/01/1067102001.db2.gz KBFZVQAQCXSZNB-YKSBVNFPSA-N 1 1 457.977 4.122 20 0 JIADMO CC(C)[C@H](NC(=O)C[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1)c1ccc2c(c1)OCCCO2 ZINC001321428289 1067127981 /nfs/dbraw/zinc/12/79/81/1067127981.db2.gz ZXLUZELWTLQYHP-SXOMAYOGSA-N 1 1 477.605 4.109 20 0 JIADMO 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 1067141442 /nfs/dbraw/zinc/14/14/42/1067141442.db2.gz DJBGIYOJUALVSO-PZJWPPBQSA-N 1 1 454.652 4.482 20 0 JIADMO CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001321485903 1067144378 /nfs/dbraw/zinc/14/43/78/1067144378.db2.gz KXFJMDDCHUOLBA-QFIPXVFZSA-N 1 1 480.588 4.295 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1cc2c(c(Br)c1)OCO2 ZINC001321489476 1067145540 /nfs/dbraw/zinc/14/55/40/1067145540.db2.gz YBABYQFSLYSPMV-UHFFFAOYSA-N 1 1 457.328 4.292 20 0 JIADMO CCc1cc2c(CC(=O)Nc3cc(C(=O)N4CC[NH+](C)CC4)ccc3OC)csc2s1 ZINC001351727041 1067179844 /nfs/dbraw/zinc/17/98/44/1067179844.db2.gz JBVSLOFJYNLKNY-UHFFFAOYSA-N 1 1 457.621 4.103 20 0 JIADMO CC(C)[N@@H+](C)[C@H]1CCN(C(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200800999 1067198737 /nfs/dbraw/zinc/19/87/37/1067198737.db2.gz CNBKOFOXTQSGPE-NSHDSACASA-N 1 1 453.219 4.462 20 0 JIADMO C[N@H+]1CCC[C@@H]2CN(C(=S)Nc3c(F)cc(Br)cc3Br)C[C@H]21 ZINC001200802695 1067210414 /nfs/dbraw/zinc/21/04/14/1067210414.db2.gz ZRWXMRBOHZGBMW-NOZJJQNGSA-N 1 1 451.203 4.074 20 0 JIADMO CCc1cccc(NC(=O)CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001351832199 1067217975 /nfs/dbraw/zinc/21/79/75/1067217975.db2.gz UKVOVNLUDHJCHY-GGXMVOPNSA-N 1 1 455.602 4.394 20 0 JIADMO Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001492549433 1067219673 /nfs/dbraw/zinc/21/96/73/1067219673.db2.gz ANHYRECIRNGUFK-FDFHNCONSA-N 1 1 455.647 4.290 20 0 JIADMO COc1ccc([C@@H]2[C@@H](C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001322152547 1067258154 /nfs/dbraw/zinc/25/81/54/1067258154.db2.gz ADANBIQQGXGXAZ-NRRYGQPISA-N 1 1 461.606 4.185 20 0 JIADMO O=C(C[N@H+]1CCC[C@@H](C(=O)NC2CC2)C1)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC001322303457 1067271943 /nfs/dbraw/zinc/27/19/43/1067271943.db2.gz KCECOKIEDHSRLB-DVYYSZHSSA-N 1 1 467.629 4.114 20 0 JIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 ZINC001322308421 1067273916 /nfs/dbraw/zinc/27/39/16/1067273916.db2.gz TUIQVLFJIAPJHJ-QHCPKHFHSA-N 1 1 469.593 4.012 20 0 JIADMO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)ccc21 ZINC001352039477 1067274012 /nfs/dbraw/zinc/27/40/12/1067274012.db2.gz IJSRITDDXCYBTJ-UHFFFAOYSA-N 1 1 457.615 4.139 20 0 JIADMO CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1C ZINC001200819818 1067287737 /nfs/dbraw/zinc/28/77/37/1067287737.db2.gz DBGUPEKKWNIFNL-QHCPKHFHSA-N 1 1 458.555 4.230 20 0 JIADMO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)c2ccc(F)cc2)c1 ZINC001200821640 1067294734 /nfs/dbraw/zinc/29/47/34/1067294734.db2.gz OSAKEYBJMLEOHC-UKILVPOCSA-N 1 1 455.551 4.276 20 0 JIADMO COc1ccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3-n3cc[nH+]c3C)CC2=O)cc1 ZINC001354953764 1067302785 /nfs/dbraw/zinc/30/27/85/1067302785.db2.gz YIQMOSSAAUJRTA-HNNXBMFYSA-N 1 1 458.440 4.200 20 0 JIADMO C[N@H+](CC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1)Cc1ccccc1 ZINC001322565257 1067303109 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CS(=O)(=O)c1cc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)ccc1Cl ZINC001352881443 1067780978 /nfs/dbraw/zinc/78/09/78/1067780978.db2.gz VLDLXRIEWROQTG-UHFFFAOYSA-N 1 1 455.407 4.135 20 0 JIADMO CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)cc1 ZINC001300145303 1067799170 /nfs/dbraw/zinc/79/91/70/1067799170.db2.gz RIPAYEHVZDUFTR-UHFFFAOYSA-N 1 1 457.622 4.498 20 0 JIADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3cc4sc(Nc5ccccc5)nc4s3)cc2)CC1 ZINC000482530146 1067803256 /nfs/dbraw/zinc/80/32/56/1067803256.db2.gz NXICYNPKPWFUCB-UHFFFAOYSA-N 1 1 491.642 4.419 20 0 JIADMO COc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1 ZINC001300151207 1067807201 /nfs/dbraw/zinc/80/72/01/1067807201.db2.gz NWEWKDJECBABLN-UHFFFAOYSA-N 1 1 482.717 4.113 20 0 JIADMO Cc1ccc(SC2(C(=O)Nc3ccc(CC(=O)N4CC[NH+](C)CC4)cc3)CCCC2)cc1 ZINC001357176205 1067814358 /nfs/dbraw/zinc/81/43/58/1067814358.db2.gz OPENTRYWAFGSCR-UHFFFAOYSA-N 1 1 451.636 4.355 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC001300162373 1067817414 /nfs/dbraw/zinc/81/74/14/1067817414.db2.gz LEHVFTSQGPVDNY-BGYRXZFFSA-N 1 1 466.605 4.492 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)COc3cccc4c3OC(C)(C)C4)cc2)C[C@H](C)O1 ZINC001300163350 1067819855 /nfs/dbraw/zinc/81/98/55/1067819855.db2.gz YOVYPNDLZIQUTA-BGYRXZFFSA-N 1 1 452.595 4.047 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300164263 1067821613 /nfs/dbraw/zinc/82/16/13/1067821613.db2.gz MCJBBWKULKPLCY-NRFANRHFSA-N 1 1 450.631 4.441 20 0 JIADMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC001357247723 1067824172 /nfs/dbraw/zinc/82/41/72/1067824172.db2.gz YYCMOAKBDUWUNW-DCFHFQCYSA-N 1 1 459.638 4.494 20 0 JIADMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC001357247723 1067824175 /nfs/dbraw/zinc/82/41/75/1067824175.db2.gz YYCMOAKBDUWUNW-DCFHFQCYSA-N 1 1 459.638 4.494 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CC[N@H+]2CCCC(C)(C)C2)cc1OC(F)F ZINC001300174628 1067834139 /nfs/dbraw/zinc/83/41/39/1067834139.db2.gz USUKJOJJVAYPGW-IBGZPJMESA-N 1 1 493.599 4.150 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1F ZINC001300176711 1067837515 /nfs/dbraw/zinc/83/75/15/1067837515.db2.gz CVABJGNQWHWWCO-QGZVFWFLSA-N 1 1 472.634 4.150 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC001300179397 1067841746 /nfs/dbraw/zinc/84/17/46/1067841746.db2.gz RUGXITQNMVNYMG-SXSPYAJSSA-N 1 1 455.647 4.324 20 0 JIADMO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC001473277441 1067852833 /nfs/dbraw/zinc/85/28/33/1067852833.db2.gz JJQZNKZRVWQCKD-SJLPKXTDSA-N 1 1 455.418 4.430 20 0 JIADMO Cc1cc(Br)cc(C)c1NC(=S)NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001200229613 1067873732 /nfs/dbraw/zinc/87/37/32/1067873732.db2.gz NJTFQNJCUVIESZ-UHFFFAOYSA-N 1 1 461.473 4.300 20 0 JIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC001357630841 1067879520 /nfs/dbraw/zinc/87/95/20/1067879520.db2.gz KKHGGEUZKUSYBI-YLJYHZDGSA-N 1 1 453.384 4.259 20 0 JIADMO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001357632185 1067879775 /nfs/dbraw/zinc/87/97/75/1067879775.db2.gz UQFKTKFZNSQPCI-PTJQVGQKSA-N 1 1 457.618 4.475 20 0 JIADMO CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001357641689 1067881597 /nfs/dbraw/zinc/88/15/97/1067881597.db2.gz WMTDSXJOJFGQAI-XMXZMMKCSA-N 1 1 453.583 4.390 20 0 JIADMO CC(C)(C)NC(=O)c1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c1 ZINC001357669809 1067884398 /nfs/dbraw/zinc/88/43/98/1067884398.db2.gz GCPAEIGUMIPXEB-LOSJGSFVSA-N 1 1 456.590 4.464 20 0 JIADMO COc1ccc(Cn2c(CC(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1Cl ZINC001300215585 1067885733 /nfs/dbraw/zinc/88/57/33/1067885733.db2.gz CYTWVGMPOZVGGX-OYRHEFFESA-N 1 1 489.108 4.182 20 0 JIADMO C[C@H](CNC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[N@@H+]1CCc2sccc2C1 ZINC001357780929 1067898965 /nfs/dbraw/zinc/89/89/65/1067898965.db2.gz WOEXWBHLIHKSSK-OPAMFIHVSA-N 1 1 452.542 4.279 20 0 JIADMO C[C@H](CNC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[N@H+]1CCc2sccc2C1 ZINC001357780929 1067898966 /nfs/dbraw/zinc/89/89/66/1067898966.db2.gz WOEXWBHLIHKSSK-OPAMFIHVSA-N 1 1 452.542 4.279 20 0 JIADMO COCc1c(C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)sc2cccc(F)c21 ZINC001357805011 1067905266 /nfs/dbraw/zinc/90/52/66/1067905266.db2.gz LZRNJZCKNHJWTR-UHFFFAOYSA-N 1 1 455.555 4.103 20 0 JIADMO COc1ccc(CN2CCCN(c3nnc(C(C)C)n3C[C@H]3CCC[N@@H+](CC(C)C)C3)CC2=O)cc1 ZINC001300231157 1067912332 /nfs/dbraw/zinc/91/23/32/1067912332.db2.gz SRYZIQLMFNITSL-DEOSSOPVSA-N 1 1 496.700 4.017 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc(CC(C)C)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001300236918 1067931003 /nfs/dbraw/zinc/93/10/03/1067931003.db2.gz BTSPUYFIVDREMZ-IBGZPJMESA-N 1 1 464.054 4.276 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001492560445 1067952598 /nfs/dbraw/zinc/95/25/98/1067952598.db2.gz WODNHAHMAUCMLW-BXXSPATCSA-N 1 1 455.647 4.004 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001492560445 1067952614 /nfs/dbraw/zinc/95/26/14/1067952614.db2.gz WODNHAHMAUCMLW-BXXSPATCSA-N 1 1 455.647 4.004 20 0 JIADMO Cc1[nH+]ccn1CCCCn1c(-c2ccccc2C)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001492561663 1068004487 /nfs/dbraw/zinc/00/44/87/1068004487.db2.gz LNJFXNKWCUXIED-FXAWDEMLSA-N 1 1 462.520 4.395 20 0 JIADMO CCCc1c(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)cnn1-c1cccc(C)c1 ZINC001358071894 1068009175 /nfs/dbraw/zinc/00/91/75/1068009175.db2.gz DACSEXYXLHIKIF-OAQYLSRUSA-N 1 1 459.594 4.083 20 0 JIADMO CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)CCCCCC1 ZINC001358071897 1068009380 /nfs/dbraw/zinc/00/93/80/1068009380.db2.gz DDYULWPYSMISNZ-FQEVSTJZSA-N 1 1 457.615 4.005 20 0 JIADMO CN(Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC001300263248 1068028924 /nfs/dbraw/zinc/02/89/24/1068028924.db2.gz WOUBZQPJEDAHBT-HSZRJFAPSA-N 1 1 455.574 4.473 20 0 JIADMO CN(Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC001300263248 1068028943 /nfs/dbraw/zinc/02/89/43/1068028943.db2.gz WOUBZQPJEDAHBT-HSZRJFAPSA-N 1 1 455.574 4.473 20 0 JIADMO COc1ccc(OCc2nnc(N(C)Cc3cnc(C)s3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300263751 1068031287 /nfs/dbraw/zinc/03/12/87/1068031287.db2.gz OHWHJTYZZTUPER-MOPGFXCFSA-N 1 1 484.670 4.387 20 0 JIADMO COc1ccc(OCc2nnc(N(C)CC(F)(F)F)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300264525 1068033201 /nfs/dbraw/zinc/03/32/01/1068033201.db2.gz HTMRGCJEWADWPH-HDICACEKSA-N 1 1 469.552 4.232 20 0 JIADMO COc1ccc(OCc2nnc(N(C)C3CCC(C)CC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300265350 1068035067 /nfs/dbraw/zinc/03/50/67/1068035067.db2.gz SOXJATZMJPTKGA-OWWUNANSSA-N 1 1 485.673 4.237 20 0 JIADMO COc1ccc(OCc2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300269375 1068045416 /nfs/dbraw/zinc/04/54/16/1068045416.db2.gz MCNOGWOLHZYFJB-CZYKHXBRSA-N 1 1 455.647 4.468 20 0 JIADMO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001200314567 1068053784 /nfs/dbraw/zinc/05/37/84/1068053784.db2.gz NKYSMERDBFVZCH-SANMLTNESA-N 1 1 452.599 4.080 20 0 JIADMO CCOC(=O)C1=C(C[NH2+]C(c2ccccc2C)c2ccccc2C)NC(=O)N[C@@H]1c1ccco1 ZINC001473359765 1068055972 /nfs/dbraw/zinc/05/59/72/1068055972.db2.gz CHZXTZASXLPNNL-RUZDIDTESA-N 1 1 459.546 4.447 20 0 JIADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc(C)ccc3SC3CCCC3)CC2)CC1 ZINC001353357232 1068057667 /nfs/dbraw/zinc/05/76/67/1068057667.db2.gz YYQYMLBGOOQSSI-UHFFFAOYSA-N 1 1 457.684 4.436 20 0 JIADMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](C[C@](C)(O)c3ccc(Br)cc3F)C2)C1 ZINC001473360432 1068059835 /nfs/dbraw/zinc/05/98/35/1068059835.db2.gz OWOOQLOZOXIASH-SFTDATJTSA-N 1 1 457.384 4.129 20 0 JIADMO COc1ccc(OCc2nnc(N3CCC[C@H]3CSC)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300280122 1068069942 /nfs/dbraw/zinc/06/99/42/1068069942.db2.gz BRCREJXSSYLJIS-UGKGYDQZSA-N 1 1 473.687 4.318 20 0 JIADMO Cc1cc(C(=O)Nc2ccc(OCCC[NH+]3CCN(C)CC3)cc2)c(C)n1Cc1ccco1 ZINC001300280254 1068070101 /nfs/dbraw/zinc/07/01/01/1068070101.db2.gz MRPFFSODCRSINQ-UHFFFAOYSA-N 1 1 450.583 4.015 20 0 JIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)[C@H](C)C1 ZINC001353376761 1068070278 /nfs/dbraw/zinc/07/02/78/1068070278.db2.gz RJEHEQSLQCPSJF-FOIQADDNSA-N 1 1 453.414 4.354 20 0 JIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)[C@@H](C)C1 ZINC001353377290 1068071024 /nfs/dbraw/zinc/07/10/24/1068071024.db2.gz UYGYOXQXFGEWKN-FPOVZHCZSA-N 1 1 452.624 4.468 20 0 JIADMO COc1ccc(OCc2nnc(N3CCCCCCC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001300290719 1068095342 /nfs/dbraw/zinc/09/53/42/1068095342.db2.gz MCUGMYYZQJTPHQ-QFIPXVFZSA-N 1 1 471.646 4.137 20 0 JIADMO Cc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 ZINC000507962905 1068116834 /nfs/dbraw/zinc/11/68/34/1068116834.db2.gz BMXMHZUJWWUHFR-KRWDZBQOSA-N 1 1 476.972 4.011 20 0 JIADMO Cc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 ZINC000507962905 1068116871 /nfs/dbraw/zinc/11/68/71/1068116871.db2.gz BMXMHZUJWWUHFR-KRWDZBQOSA-N 1 1 476.972 4.011 20 0 JIADMO Cc1ccc(NC(=S)N2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c(Cl)c1 ZINC001200336201 1068117481 /nfs/dbraw/zinc/11/74/81/1068117481.db2.gz OLMQHUBBDBXEHI-MRXNPFEDSA-N 1 1 453.052 4.409 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C(C)(C)C)n3CC3(OC)CCCC3)CC2)c1 ZINC001300333698 1068292617 /nfs/dbraw/zinc/29/26/17/1068292617.db2.gz WXTCFTUGMDTDBU-HXUWFJFHSA-N 1 1 455.647 4.427 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C4CCC4)n3CCN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC001300334916 1068304035 /nfs/dbraw/zinc/30/40/35/1068304035.db2.gz KQVHIAZTVHVALL-FQEVSTJZSA-N 1 1 498.672 4.304 20 0 JIADMO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC001353541372 1068307316 /nfs/dbraw/zinc/30/73/16/1068307316.db2.gz SGGYKKYMSFCJNK-RUZDIDTESA-N 1 1 483.616 4.114 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCc3nccs3)CC2)c1 ZINC001300335498 1068307635 /nfs/dbraw/zinc/30/76/35/1068307635.db2.gz SSRVINPAMZGWMM-IBGZPJMESA-N 1 1 468.671 4.458 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3CCOc3ccc(Cl)cn3)CC2)c1 ZINC001300335488 1068307957 /nfs/dbraw/zinc/30/79/57/1068307957.db2.gz SPKWULWFNBLYTC-FQEVSTJZSA-N 1 1 499.059 4.496 20 0 JIADMO CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001353545679 1068312619 /nfs/dbraw/zinc/31/26/19/1068312619.db2.gz ALAAYQZEGUVDEE-PMACEKPBSA-N 1 1 457.640 4.068 20 0 JIADMO COc1cccc([C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(C(C)C)CC2)[NH+](C)C)c1 ZINC001300338281 1068316320 /nfs/dbraw/zinc/31/63/20/1068316320.db2.gz AUNGOSRBPKEYTO-UBFVSLLYSA-N 1 1 498.716 4.039 20 0 JIADMO CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)cc2C1 ZINC001200384097 1068340978 /nfs/dbraw/zinc/34/09/78/1068340978.db2.gz NUUCNFUPTPYYPS-QHCPKHFHSA-N 1 1 450.583 4.376 20 0 JIADMO Cc1nccc(NCc2cccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)c2)n1 ZINC000622373340 1068361695 /nfs/dbraw/zinc/36/16/95/1068361695.db2.gz LAFNBFCESJSVFA-JOCHJYFZSA-N 1 1 469.511 4.420 20 0 JIADMO COc1cccc(-c2nnc(N(C)CCc3nccs3)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001300352991 1068367304 /nfs/dbraw/zinc/36/73/04/1068367304.db2.gz MZJHFNONRDEQLT-UHFFFAOYSA-N 1 1 454.644 4.354 20 0 JIADMO O=C(CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1)Nc1ccc(F)c(F)c1F ZINC001353617120 1068376554 /nfs/dbraw/zinc/37/65/54/1068376554.db2.gz GBWTVWPPKLBDII-RBUKOAKNSA-N 1 1 459.512 4.097 20 0 JIADMO COc1cccc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001300361609 1068390922 /nfs/dbraw/zinc/39/09/22/1068390922.db2.gz LDYQXTRBBMUNIQ-UNMCSNQZSA-N 1 1 455.647 4.327 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)n2CCCNC(=O)C(C)C)c1 ZINC001300375645 1068445628 /nfs/dbraw/zinc/44/56/28/1068445628.db2.gz FZYOXWVIAPYEOH-XZOQPEGZSA-N 1 1 496.700 4.207 20 0 JIADMO Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001353735776 1068528640 /nfs/dbraw/zinc/52/86/40/1068528640.db2.gz RYLDIWPJAGREKV-OAQYLSRUSA-N 1 1 450.514 4.208 20 0 JIADMO COc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001300395715 1068532641 /nfs/dbraw/zinc/53/26/41/1068532641.db2.gz SKNXPAYJKZSVEG-GHTZIAJQSA-N 1 1 481.563 4.089 20 0 JIADMO COc1cccc([C@H]2CCCN2c2nnc(C(C)(C)C)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001300397982 1068540767 /nfs/dbraw/zinc/54/07/67/1068540767.db2.gz AVQLNOQALHVLCT-XMMPIXPASA-N 1 1 468.690 4.199 20 0 JIADMO COc1cccc([C@H]2C[C@H](C)CN2c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001300403779 1068562735 /nfs/dbraw/zinc/56/27/35/1068562735.db2.gz TVSKMKXSCGZHPJ-NZQKXSOJSA-N 1 1 482.673 4.134 20 0 JIADMO COc1cccc(C2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[N@H+]3CCCO)CC2)c1 ZINC001300405583 1068567600 /nfs/dbraw/zinc/56/76/00/1068567600.db2.gz DVHYLTHKEXYQMX-QHCPKHFHSA-N 1 1 469.674 4.106 20 0 JIADMO COc1cccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001300413632 1068601374 /nfs/dbraw/zinc/60/13/74/1068601374.db2.gz MFHVCKHMWWGSQL-UHFFFAOYSA-N 1 1 487.446 4.208 20 0 JIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2oc3ccccc3c2CS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001353843055 1068653266 /nfs/dbraw/zinc/65/32/66/1068653266.db2.gz AUCPSQHQLRXJAW-QUCCMNQESA-N 1 1 454.592 4.103 20 0 JIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2oc3ccccc3c2CS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001353843055 1068653274 /nfs/dbraw/zinc/65/32/74/1068653274.db2.gz AUCPSQHQLRXJAW-QUCCMNQESA-N 1 1 454.592 4.103 20 0 JIADMO CCOC(=O)N1[C@H](C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[C@H]1c1ccc(C)o1 ZINC001353844547 1068654426 /nfs/dbraw/zinc/65/44/26/1068654426.db2.gz GJPSQGIHSKWBIW-VJBMBRPKSA-N 1 1 453.583 4.373 20 0 JIADMO COc1cccc(O[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC001300447604 1068742307 /nfs/dbraw/zinc/74/23/07/1068742307.db2.gz WGRMVQOZLBIPNL-LJQANCHMSA-N 1 1 452.603 4.060 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCC(C)C)CC2)c1 ZINC001300451076 1068756975 /nfs/dbraw/zinc/75/69/75/1068756975.db2.gz KLIFZKVCDWWJAD-JWQCQUIFSA-N 1 1 499.700 4.452 20 0 JIADMO COc1ccccc1[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)OC(C)C ZINC001300455887 1068774551 /nfs/dbraw/zinc/77/45/51/1068774551.db2.gz CYPOODODUZRPPD-RDGATRHJSA-N 1 1 499.700 4.200 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC2CCOCC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001300471030 1068811979 /nfs/dbraw/zinc/81/19/79/1068811979.db2.gz QYKOKNBYLBBWON-FQEVSTJZSA-N 1 1 455.647 4.327 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC2CCOCC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300471031 1068812096 /nfs/dbraw/zinc/81/20/96/1068812096.db2.gz QYKOKNBYLBBWON-HXUWFJFHSA-N 1 1 455.647 4.327 20 0 JIADMO 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COc1ccccc1-c1nnc(N2CCC(CCCO)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001300486556 1068847930 /nfs/dbraw/zinc/84/79/30/1068847930.db2.gz ZQZBTJMGUJMBSM-QHCPKHFHSA-N 1 1 455.647 4.063 20 0 JIADMO COc1ccccc1-c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001300505392 1068876562 /nfs/dbraw/zinc/87/65/62/1068876562.db2.gz GKNGUEKFVYHVTI-UHFFFAOYSA-N 1 1 496.700 4.303 20 0 JIADMO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001300514110 1068895367 /nfs/dbraw/zinc/89/53/67/1068895367.db2.gz XHNYZSNNVFXJEQ-PMACEKPBSA-N 1 1 494.606 4.291 20 0 JIADMO COc1ccccc1-c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001300518444 1068904312 /nfs/dbraw/zinc/90/43/12/1068904312.db2.gz SKRYMYPADIOVAG-NZQKXSOJSA-N 1 1 455.647 4.325 20 0 JIADMO COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001354156964 1068936618 /nfs/dbraw/zinc/93/66/18/1068936618.db2.gz PHRFGEWRNZFABR-FQRUVTKNSA-N 1 1 458.558 4.160 20 0 JIADMO 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COc1ccccc1Cc1nnc(N(C)Cc2c(C)noc2C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300536602 1068957849 /nfs/dbraw/zinc/95/78/49/1068957849.db2.gz RDCOTDTTWYMYQP-KDURUIRLSA-N 1 1 496.656 4.007 20 0 JIADMO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NC[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)C2)c1 ZINC001354209783 1068979763 /nfs/dbraw/zinc/97/97/63/1068979763.db2.gz KTOVXJKKQSKCIJ-AWRGLXIESA-N 1 1 453.652 4.416 20 0 JIADMO C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)[C@@H]1c1cccs1 ZINC001354209676 1068980141 /nfs/dbraw/zinc/98/01/41/1068980141.db2.gz JRASPUUPFIORIT-MQSCRBSSSA-N 1 1 455.624 4.439 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CC[N@H+](C)C(C)C ZINC001492586584 1069004299 /nfs/dbraw/zinc/00/42/99/1069004299.db2.gz MWHMXMYBZGULQD-UHFFFAOYSA-N 1 1 480.701 4.137 20 0 JIADMO Cc1ccccc1-c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001492571684 1069018798 /nfs/dbraw/zinc/01/87/98/1069018798.db2.gz GWPPFMGXCAFJLV-HBMCJLEFSA-N 1 1 461.601 4.218 20 0 JIADMO 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JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)cn1 ZINC000849495395 1069065722 /nfs/dbraw/zinc/06/57/22/1069065722.db2.gz CKKGXWQULIXXTD-GMAHTHKFSA-N 1 1 498.096 4.182 20 0 JIADMO 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 1069065822 /nfs/dbraw/zinc/06/58/22/1069065822.db2.gz ANLURWHLHVIMQB-FDFHNCONSA-N 1 1 492.451 4.171 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cn1 ZINC000849499310 1069069586 /nfs/dbraw/zinc/06/95/86/1069069586.db2.gz VDXRKXZATNJCRW-ZEQRLZLVSA-N 1 1 498.096 4.182 20 0 JIADMO Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4CC[N@H+](C(C)C)C[C@@H]4c4cnn(C)c4)cc3)nc12 ZINC000849498519 1069070484 /nfs/dbraw/zinc/07/04/84/1069070484.db2.gz AULXXNYQLCAHKN-BJKOFHAPSA-N 1 1 456.594 4.496 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849499753 1069071185 /nfs/dbraw/zinc/07/11/85/1069071185.db2.gz FLKXVGPACRGTAO-PMACEKPBSA-N 1 1 450.505 4.112 20 0 JIADMO CCOC(=O)c1cc2cc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)ccc2s1 ZINC000849500199 1069072179 /nfs/dbraw/zinc/07/21/79/1069072179.db2.gz XGNLXYZETGGVII-VQTJNVASSA-N 1 1 454.596 4.264 20 0 JIADMO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849500122 1069072259 /nfs/dbraw/zinc/07/22/59/1069072259.db2.gz GPSGSVKXEJRZFD-DNQXCXABSA-N 1 1 459.594 4.433 20 0 JIADMO Cc1nc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)sc1Cc1ccc(F)cc1 ZINC000849503145 1069076618 /nfs/dbraw/zinc/07/66/18/1069076618.db2.gz GQOSGFJQGBDOPO-RTWAWAEBSA-N 1 1 455.603 4.368 20 0 JIADMO Cc1nc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)sc1Cc1cccc(F)c1 ZINC000849503157 1069076790 /nfs/dbraw/zinc/07/67/90/1069076790.db2.gz GYPQZFVSEAJYPU-RTWAWAEBSA-N 1 1 455.603 4.368 20 0 JIADMO CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)ccc1Cl ZINC000849502901 1069078576 /nfs/dbraw/zinc/07/85/76/1069078576.db2.gz FYXPTNUOVVHDFI-UPVQGACJSA-N 1 1 494.039 4.410 20 0 JIADMO 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 1069079702 /nfs/dbraw/zinc/07/97/02/1069079702.db2.gz YAVPFBUUIYPRAG-PFBJBMPXSA-N 1 1 494.680 4.210 20 0 JIADMO COc1cc([C@H](C)NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OCc1ccncc1 ZINC000849504358 1069080445 /nfs/dbraw/zinc/08/04/45/1069080445.db2.gz OQWMOJKRPBEGAB-OPXMRZJTSA-N 1 1 491.636 4.094 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849503865 1069082494 /nfs/dbraw/zinc/08/24/94/1069082494.db2.gz LZZARQFVIFHTJF-IZZNHLLZSA-N 1 1 473.621 4.078 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849504030 1069082551 /nfs/dbraw/zinc/08/25/51/1069082551.db2.gz BBYDIYSFKKDHGE-LADGPHEKSA-N 1 1 465.642 4.277 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849505366 1069084327 /nfs/dbraw/zinc/08/43/27/1069084327.db2.gz SEFPZGZKGZCCNG-LZYPDUGYSA-N 1 1 461.610 4.085 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849505370 1069084459 /nfs/dbraw/zinc/08/44/59/1069084459.db2.gz SEFPZGZKGZCCNG-YMSRPXOMSA-N 1 1 461.610 4.085 20 0 JIADMO CN(C(=O)c1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc1Cl)C1CCCCC1 ZINC000849506159 1069085444 /nfs/dbraw/zinc/08/54/44/1069085444.db2.gz VBMGPLRPSHJXQR-IFMALSPDSA-N 1 1 472.033 4.152 20 0 JIADMO COc1ccc2[nH]cc(C3CCN(C(=O)[C@H]4CC[N@H+](C(C)C)C[C@@H]4c4cnn(C)c4)CC3)c2c1 ZINC000849505904 1069086271 /nfs/dbraw/zinc/08/62/71/1069086271.db2.gz KEWJXFUNBDVHIE-WIOPSUGQSA-N 1 1 463.626 4.130 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(C)c2ccc(Br)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849507157 1069087280 /nfs/dbraw/zinc/08/72/80/1069087280.db2.gz PECHBAZTSLYTCE-DLBZAZTESA-N 1 1 453.812 4.313 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000849507418 1069087977 /nfs/dbraw/zinc/08/79/77/1069087977.db2.gz ZGPOMRSSFTWRTM-XZOQPEGZSA-N 1 1 462.560 4.346 20 0 JIADMO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849508130 1069088975 /nfs/dbraw/zinc/08/89/75/1069088975.db2.gz HCEQUDRALAIPKB-UXHICEINSA-N 1 1 452.530 4.343 20 0 JIADMO CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849509418 1069090742 /nfs/dbraw/zinc/09/07/42/1069090742.db2.gz YIDOAKQNGIFOMO-FCHUYYIVSA-N 1 1 461.448 4.434 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001492575027 1069091331 /nfs/dbraw/zinc/09/13/31/1069091331.db2.gz GEMCQMSLYPICRO-FTBPSBKWSA-N 1 1 453.675 4.429 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)[C@H](c2cnn(C)c2)C1 ZINC000849509634 1069092101 /nfs/dbraw/zinc/09/21/01/1069092101.db2.gz MCUPZYNDFOIPJP-YADHBBJMSA-N 1 1 474.584 4.479 20 0 JIADMO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)[C@H](c2cnn(C)c2)C1 ZINC000849509634 1069092122 /nfs/dbraw/zinc/09/21/22/1069092122.db2.gz MCUPZYNDFOIPJP-YADHBBJMSA-N 1 1 474.584 4.479 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)[C@H](c2cnn(C)c2)C1 ZINC000849509634 1069092147 /nfs/dbraw/zinc/09/21/47/1069092147.db2.gz MCUPZYNDFOIPJP-YADHBBJMSA-N 1 1 474.584 4.479 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)[C@H](c2cnn(C)c2)C1 ZINC000849510679 1069095310 /nfs/dbraw/zinc/09/53/10/1069095310.db2.gz KXZTZLLYVFFOLY-FPOVZHCZSA-N 1 1 481.000 4.173 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCCOc2ccc(Cl)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849511807 1069096226 /nfs/dbraw/zinc/09/62/26/1069096226.db2.gz USYCLJLLDWXDOG-MOPGFXCFSA-N 1 1 453.414 4.126 20 0 JIADMO CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2s1 ZINC000849512471 1069096245 /nfs/dbraw/zinc/09/62/45/1069096245.db2.gz FVYDPECMFFQANQ-MSOLQXFVSA-N 1 1 470.599 4.051 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2cccc3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849516331 1069100916 /nfs/dbraw/zinc/10/09/16/1069100916.db2.gz JWHKMRRWGUBRQU-DQEYMECFSA-N 1 1 456.594 4.271 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849516026 1069101842 /nfs/dbraw/zinc/10/18/42/1069101842.db2.gz IKSIOVHPBSNQMD-LEWJYISDSA-N 1 1 450.549 4.347 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849515874 1069101857 /nfs/dbraw/zinc/10/18/57/1069101857.db2.gz NCJCBAMMQQEKDD-WTIAFYNJSA-N 1 1 497.043 4.344 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC(C)(C)Cc2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849517393 1069102466 /nfs/dbraw/zinc/10/24/66/1069102466.db2.gz NKMONDQTDSWGLL-LEWJYISDSA-N 1 1 461.448 4.134 20 0 JIADMO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518236 1069104938 /nfs/dbraw/zinc/10/49/38/1069104938.db2.gz QKYIWPBVRJVKAI-UIOOFZCWSA-N 1 1 494.684 4.077 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518236 1069104950 /nfs/dbraw/zinc/10/49/50/1069104950.db2.gz QKYIWPBVRJVKAI-UIOOFZCWSA-N 1 1 494.684 4.077 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)[C@H](c2cnn(C)c2)C1 ZINC000849517636 1069106699 /nfs/dbraw/zinc/10/66/99/1069106699.db2.gz MEHWJMFJBMBNPP-RPBOFIJWSA-N 1 1 471.605 4.076 20 0 JIADMO CC[C@H](CNC(=O)Nc1nnc(Cc2cccc(OC)c2)s1)[N@H+]1CCc2ccccc2C1 ZINC000504187586 1069108626 /nfs/dbraw/zinc/10/86/26/1069108626.db2.gz GJOVNFBMIAXYSA-HXUWFJFHSA-N 1 1 451.596 4.096 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)[C@H](c2cnn(C)c2)C1 ZINC000849518820 1069109118 /nfs/dbraw/zinc/10/91/18/1069109118.db2.gz SJFAPCKDPGTHMI-VABKMULXSA-N 1 1 462.598 4.038 20 0 JIADMO 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 ZINC000849519496 1069110871 /nfs/dbraw/zinc/11/08/71/1069110871.db2.gz JUOKYSJPQNSOQC-MSOLQXFVSA-N 1 1 499.965 4.003 20 0 JIADMO COc1cccc(-c2cc(NC(=O)[C@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)n(-c3ccc(C)cc3)n2)c1 ZINC000849519819 1069112044 /nfs/dbraw/zinc/11/20/44/1069112044.db2.gz WZQJHEKBSWJFEJ-LOSJGSFVSA-N 1 1 484.604 4.264 20 0 JIADMO COc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849520872 1069113458 /nfs/dbraw/zinc/11/34/58/1069113458.db2.gz YVFYZLLAVNNRIC-LADGPHEKSA-N 1 1 475.593 4.134 20 0 JIADMO 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 ZINC000849522137 1069115063 /nfs/dbraw/zinc/11/50/63/1069115063.db2.gz XFCAILSBIGFZLR-QMUALULASA-N 1 1 466.626 4.038 20 0 JIADMO CCOc1ccc(-c2csc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)cc1 ZINC000849523699 1069117366 /nfs/dbraw/zinc/11/73/66/1069117366.db2.gz DVYUIXWLTIUAIB-NHCUHLMSSA-N 1 1 453.612 4.395 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)cn1 ZINC000849524531 1069119482 /nfs/dbraw/zinc/11/94/82/1069119482.db2.gz ISPITRXDIHPYMV-LADGPHEKSA-N 1 1 477.653 4.344 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccccc2Oc2cccc(F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849525763 1069122540 /nfs/dbraw/zinc/12/25/40/1069122540.db2.gz OLPJFYUDITXWAK-RPWUZVMVSA-N 1 1 450.558 4.482 20 0 JIADMO Cc1nc2ccccc2n1Cc1cc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)ccc1Cl ZINC000849526933 1069124515 /nfs/dbraw/zinc/12/45/15/1069124515.db2.gz IOTZLFVVFULWJX-YADHBBJMSA-N 1 1 477.012 4.454 20 0 JIADMO COc1ccccc1CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001300583833 1069127217 /nfs/dbraw/zinc/12/72/17/1069127217.db2.gz YTAKFLBDQMPLKO-LJQANCHMSA-N 1 1 469.033 4.413 20 0 JIADMO O=C(Nc1nnc(Cc2cccc(F)c2)s1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000504212526 1069133294 /nfs/dbraw/zinc/13/32/94/1069133294.db2.gz NMYVJFQNLWECJF-UHFFFAOYSA-N 1 1 461.513 4.332 20 0 JIADMO COc1cccc(Br)c1[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=S)NC1CC1 ZINC001200640099 1069139939 /nfs/dbraw/zinc/13/99/39/1069139939.db2.gz CDDUPCOTJCZDMH-MJGOQNOKSA-N 1 1 460.441 4.052 20 0 JIADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000849537857 1069160056 /nfs/dbraw/zinc/16/00/56/1069160056.db2.gz WEOWBVVANDPQGT-SGNDLWITSA-N 1 1 496.453 4.251 20 0 JIADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000849537519 1069161616 /nfs/dbraw/zinc/16/16/16/1069161616.db2.gz UEMKKSAXEDOLJF-TZRRMPRUSA-N 1 1 452.002 4.142 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849547723 1069187043 /nfs/dbraw/zinc/18/70/43/1069187043.db2.gz JQKDILNFRCMSOL-WOJBJXKFSA-N 1 1 454.962 4.108 20 0 JIADMO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1C ZINC000849547554 1069187069 /nfs/dbraw/zinc/18/70/69/1069187069.db2.gz GJHSGHQSHNIGCV-FCHUYYIVSA-N 1 1 499.457 4.438 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cn1 ZINC000849548511 1069188113 /nfs/dbraw/zinc/18/81/13/1069188113.db2.gz NZFZXEZUGDVFFT-OALUTQOASA-N 1 1 459.472 4.300 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849548817 1069188194 /nfs/dbraw/zinc/18/81/94/1069188194.db2.gz OPXZXNMGGLVKCO-RPBOFIJWSA-N 1 1 496.633 4.069 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cn1 ZINC000849548510 1069188485 /nfs/dbraw/zinc/18/84/85/1069188485.db2.gz NZFZXEZUGDVFFT-MOPGFXCFSA-N 1 1 459.472 4.300 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849549697 1069190879 /nfs/dbraw/zinc/19/08/79/1069190879.db2.gz VTIZEDFLHWRBLU-SJORKVTESA-N 1 1 458.912 4.467 20 0 JIADMO 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 ZINC000849550961 1069192090 /nfs/dbraw/zinc/19/20/90/1069192090.db2.gz AKMLIPOPTSEZCV-TZYHBYERSA-N 1 1 469.630 4.458 20 0 JIADMO COc1ccccc1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849551954 1069193087 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/nfs/dbraw/zinc/21/66/28/1069216628.db2.gz SMCAHZDQADBKRH-UHFFFAOYSA-N 1 1 466.655 4.072 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cn1 ZINC000849568411 1069219349 /nfs/dbraw/zinc/21/93/49/1069219349.db2.gz NYNKAVNSVIVIPJ-OYUWMTPXSA-N 1 1 492.067 4.043 20 0 JIADMO Cc1cc(CN(CC(C)C)C(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nc(N2CCCCC2)n1 ZINC000849569058 1069220363 /nfs/dbraw/zinc/22/03/63/1069220363.db2.gz RFZNIDQYHWMZAK-IZZNHLLZSA-N 1 1 495.716 4.008 20 0 JIADMO CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849572700 1069224170 /nfs/dbraw/zinc/22/41/70/1069224170.db2.gz PDYMNUALYWCWGO-PKTZIBPZSA-N 1 1 462.642 4.010 20 0 JIADMO CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849573353 1069224353 /nfs/dbraw/zinc/22/43/53/1069224353.db2.gz SBUSSNLODZURBP-TZIWHRDSSA-N 1 1 485.032 4.375 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)[C@H](c2cnn(C)c2)C1 ZINC000849575433 1069226505 /nfs/dbraw/zinc/22/65/05/1069226505.db2.gz DARQMJMZNHKQJN-RTWAWAEBSA-N 1 1 467.614 4.170 20 0 JIADMO COCCOc1ccc(CC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001354446099 1069226724 /nfs/dbraw/zinc/22/67/24/1069226724.db2.gz PONXSXMSVNFABI-XMMPIXPASA-N 1 1 450.604 4.232 20 0 JIADMO COCCOc1ccc(CC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC001354446099 1069226741 /nfs/dbraw/zinc/22/67/41/1069226741.db2.gz PONXSXMSVNFABI-XMMPIXPASA-N 1 1 450.604 4.232 20 0 JIADMO COc1ccccc1CN1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001300615311 1069228580 /nfs/dbraw/zinc/22/85/80/1069228580.db2.gz QXANMPXUDHPGAF-DEOSSOPVSA-N 1 1 482.717 4.175 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CC=C(c3cccc(Br)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849577645 1069229805 /nfs/dbraw/zinc/22/98/05/1069229805.db2.gz IPYXSSLGYSXRHJ-DHIUTWEWSA-N 1 1 471.443 4.312 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(C)Cc2cc(Br)ccc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849581144 1069231779 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1069242374 /nfs/dbraw/zinc/24/23/74/1069242374.db2.gz IZJQNNNTQXMUBD-KVSKMBFKSA-N 1 1 468.816 4.164 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc3cc(Br)cnc32)[C@H](c2cnn(C)c2)C1 ZINC000849594348 1069245294 /nfs/dbraw/zinc/24/52/94/1069245294.db2.gz WXXULTGLTZXFNH-OALUTQOASA-N 1 1 456.388 4.183 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849594692 1069247895 /nfs/dbraw/zinc/24/78/95/1069247895.db2.gz HIELFEIJNUUNKX-UXHICEINSA-N 1 1 460.504 4.077 20 0 JIADMO 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 1069248596 /nfs/dbraw/zinc/24/85/96/1069248596.db2.gz LQHPQSWSMNRWPM-QGTPRVQTSA-N 1 1 451.384 4.013 20 0 JIADMO 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 1069249327 /nfs/dbraw/zinc/24/93/27/1069249327.db2.gz NHEWQMRNDCFOJR-GOTSBHOMSA-N 1 1 497.640 4.002 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)[C@@H](c2cnn(C)c2)C1 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CC(C)[N@H+]1CC[C@@H](C(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849601307 1069257884 /nfs/dbraw/zinc/25/78/84/1069257884.db2.gz JGJJYDIUVWPXAK-SXOMAYOGSA-N 1 1 456.634 4.257 20 0 JIADMO COc1ccc(Br)c2sc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)nc21 ZINC000849607282 1069263295 /nfs/dbraw/zinc/26/32/95/1069263295.db2.gz HUOZTUMXAWTJAU-CABCVRRESA-N 1 1 492.443 4.254 20 0 JIADMO 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 ZINC000849610459 1069267809 /nfs/dbraw/zinc/26/78/09/1069267809.db2.gz JINGMFCSHNQDPM-VXNXHJTFSA-N 1 1 481.641 4.385 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc(-c3ccccc3C(F)(F)F)ns2)[C@H](c2cnn(C)c2)C1 ZINC000849612039 1069272605 /nfs/dbraw/zinc/27/26/05/1069272605.db2.gz FLVMSZSNPNCRMQ-RDJZCZTQSA-N 1 1 478.544 4.410 20 0 JIADMO CSc1ccc(-c2nsc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)cc1 ZINC000849613263 1069274129 /nfs/dbraw/zinc/27/41/29/1069274129.db2.gz QTQFLPBNJGEELO-RBUKOAKNSA-N 1 1 456.641 4.113 20 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CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)CC2 ZINC001164652091 719314482 /nfs/dbraw/zinc/31/44/82/719314482.db2.gz NMPSAPZPRMPTSV-UHFFFAOYSA-N 1 1 461.948 4.139 20 0 JIADMO COc1ccc(Oc2nc(Cl)ncc2N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)cc1 ZINC001164650135 719317505 /nfs/dbraw/zinc/31/75/05/719317505.db2.gz CNNBCDNMHJYEJU-UHFFFAOYSA-N 1 1 456.978 4.333 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CCCO[C@H]4[C@@H](NC(=O)CC4CC4)C3)c2c1C ZINC001164652165 719325969 /nfs/dbraw/zinc/32/59/69/719325969.db2.gz BUEOQWJDPARCJE-STWLZBDKSA-N 1 1 497.709 4.194 20 0 JIADMO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164663373 719355235 /nfs/dbraw/zinc/35/52/35/719355235.db2.gz DHFUBEIXDKTARB-UHFFFAOYSA-N 1 1 486.664 4.249 20 0 JIADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)CC2 ZINC001164687344 719724312 /nfs/dbraw/zinc/72/43/12/719724312.db2.gz WHDIBRCIFAJPSX-UHFFFAOYSA-N 1 1 492.785 4.316 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@H]3CC(=O)N4Cc3cccnc3)c2c1C ZINC001164692970 719772425 /nfs/dbraw/zinc/77/24/25/719772425.db2.gz WTENBZUEXRFREU-LEWJYISDSA-N 1 1 476.650 4.069 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc1Cl ZINC001164691233 719805852 /nfs/dbraw/zinc/80/58/52/719805852.db2.gz GGSMOGWKKYZSEZ-UHFFFAOYSA-N 1 1 470.973 4.466 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc1Cl ZINC001164691233 719805853 /nfs/dbraw/zinc/80/58/53/719805853.db2.gz GGSMOGWKKYZSEZ-UHFFFAOYSA-N 1 1 470.973 4.466 20 0 JIADMO CC[C@@H]1C(=O)Nc2cnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)nc2N1C1CCCC1 ZINC001164692002 719808558 /nfs/dbraw/zinc/80/85/58/719808558.db2.gz FBDFXTOGRDRYTF-JOCHJYFZSA-N 1 1 495.697 4.356 20 0 JIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(-c4ccc5c(c4)OCCO5)nn2)CC3)cs1 ZINC001164693539 719814152 /nfs/dbraw/zinc/81/41/52/719814152.db2.gz WFDFJKVKCNQVDR-UHFFFAOYSA-N 1 1 463.607 4.315 20 0 JIADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC001164698482 719859059 /nfs/dbraw/zinc/85/90/59/719859059.db2.gz CNZWGOBOIPPNMW-FQRUVTKNSA-N 1 1 480.996 4.183 20 0 JIADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccs2)nc2sc(C)c(C)c21 ZINC001164701240 719869004 /nfs/dbraw/zinc/86/90/04/719869004.db2.gz GIBWPJDFGSIKQF-MZNJEOGPSA-N 1 1 486.663 4.269 20 0 JIADMO CCOC(=O)c1sc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1C ZINC001164697558 719885877 /nfs/dbraw/zinc/88/58/77/719885877.db2.gz CJQAUONCIJFDOS-UHFFFAOYSA-N 1 1 472.636 4.109 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OCc4ccccc4)c(OC)cc31)C2 ZINC001164808559 720086355 /nfs/dbraw/zinc/08/63/55/720086355.db2.gz IDRGYAZUNLDTSV-IADCTJSHSA-N 1 1 488.632 4.402 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1ccc(Cl)nc1)CC2 ZINC001164716260 720107552 /nfs/dbraw/zinc/10/75/52/720107552.db2.gz JRKNEVSXPPFWBD-GOSISDBHSA-N 1 1 452.933 4.062 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1cccc(Cl)n1)CC2 ZINC001164719532 720109540 /nfs/dbraw/zinc/10/95/40/720109540.db2.gz YOSGXUGRYQPIRY-GOSISDBHSA-N 1 1 452.933 4.062 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cccc(F)c31)CC2 ZINC001164719543 720110484 /nfs/dbraw/zinc/11/04/84/720110484.db2.gz YTICTPYBGRLXNE-GOSISDBHSA-N 1 1 455.965 4.325 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c(F)cccc31)CC2 ZINC001164717406 720114465 /nfs/dbraw/zinc/11/44/65/720114465.db2.gz OMYROMYDYVWQQR-SFHVURJKSA-N 1 1 455.965 4.325 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)ncc1F)CC2 ZINC001164714160 720116814 /nfs/dbraw/zinc/11/68/14/720116814.db2.gz AHRZZPOWEPBBHS-QGZVFWFLSA-N 1 1 454.924 4.322 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)cc1C)CC2 ZINC001164719443 720119070 /nfs/dbraw/zinc/11/90/70/720119070.db2.gz WWXJIPKNPLTOPE-LJQANCHMSA-N 1 1 450.961 4.491 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)cc1C)CC2 ZINC001164719442 720119327 /nfs/dbraw/zinc/11/93/27/720119327.db2.gz WWXJIPKNPLTOPE-IBGZPJMESA-N 1 1 450.961 4.491 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(C)cc(Cl)n1)CC2 ZINC001164716089 720125634 /nfs/dbraw/zinc/12/56/34/720125634.db2.gz IUZPPHOQZWZVPT-IBGZPJMESA-N 1 1 450.961 4.491 20 0 JIADMO CCCN(CCC)c1cc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)ncn1 ZINC001164713866 720130480 /nfs/dbraw/zinc/13/04/80/720130480.db2.gz TWRNXKLUYRWYTR-HSZRJFAPSA-N 1 1 452.647 4.006 20 0 JIADMO CCCN(CCC)c1cncc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164713098 720130786 /nfs/dbraw/zinc/13/07/86/720130786.db2.gz QSRWPEOVNGLXDY-QHCPKHFHSA-N 1 1 452.647 4.006 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164712267 720139629 /nfs/dbraw/zinc/13/96/29/720139629.db2.gz MEFCTKGLRUFHDK-QGZVFWFLSA-N 1 1 473.408 4.234 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3c(F)cccc3F)nn1)CC2 ZINC001164710785 720148240 /nfs/dbraw/zinc/14/82/40/720148240.db2.gz CNYXNICFKCEWMS-HXUWFJFHSA-N 1 1 465.548 4.324 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(-c3ccncc3)nc(C)c1C)CC2 ZINC001164711643 720148555 /nfs/dbraw/zinc/14/85/55/720148555.db2.gz HQVHWJHCKZCXBQ-DEOSSOPVSA-N 1 1 458.610 4.058 20 0 JIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164818696 720165351 /nfs/dbraw/zinc/16/53/51/720165351.db2.gz UDCAGZZMQDRIFJ-AVRWGWEMSA-N 1 1 458.002 4.250 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)C2 ZINC001164819514 720170385 /nfs/dbraw/zinc/17/03/85/720170385.db2.gz XPAPONGHJQPAFB-NLFFAJNJSA-N 1 1 455.002 4.172 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3cccc(OC)c3)nc3ccccc31)C2 ZINC001164819868 720182627 /nfs/dbraw/zinc/18/26/27/720182627.db2.gz YUZHTGSTODWRFR-DFHRPNOPSA-N 1 1 458.606 4.490 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)C2 ZINC001164819792 720191749 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/nfs/dbraw/zinc/24/34/00/720243400.db2.gz SZFIYOYVQGXKKN-UHFFFAOYSA-N 1 1 461.944 4.282 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCc3c(ncn3C(C)C)[C@H]2CNC(C)=O)n1 ZINC001164721856 720316557 /nfs/dbraw/zinc/31/65/57/720316557.db2.gz ICRVVAGUUROBOU-HXUWFJFHSA-N 1 1 483.686 4.167 20 0 JIADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726704 720350519 /nfs/dbraw/zinc/35/05/19/720350519.db2.gz RCPBHVLHUAOGIW-RPBOFIJWSA-N 1 1 467.573 4.466 20 0 JIADMO Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)O2)n1 ZINC001164831066 720408658 /nfs/dbraw/zinc/40/86/58/720408658.db2.gz ULTKBCCZSGBZNL-SQNIBIBYSA-N 1 1 454.600 4.094 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)n1 ZINC001164725252 720502339 /nfs/dbraw/zinc/50/23/39/720502339.db2.gz IYZIAOOYARJHAF-FQRUVTKNSA-N 1 1 494.665 4.169 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H](CO[C@@H]3CC(=O)N3CCCCC3)C2)n1 ZINC001164834902 720502806 /nfs/dbraw/zinc/50/28/06/720502806.db2.gz HYLHRLBBZUVPPR-YPAWHYETSA-N 1 1 499.725 4.394 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)CC[C@@H]21 ZINC001164834643 720523887 /nfs/dbraw/zinc/52/38/87/720523887.db2.gz GVTOZZIWEKMUHG-SLSDLSHTSA-N 1 1 492.071 4.220 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@@]5(CCC[C@H]5COc5ccccn5)C4)ccc3C2)cc1 ZINC001164736229 720538569 /nfs/dbraw/zinc/53/85/69/720538569.db2.gz WDOYMMJKIWZTCL-SVEHJYQDSA-N 1 1 470.617 4.489 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4c3ccn4Cc3ccc(F)cc3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835015 720555351 /nfs/dbraw/zinc/55/53/51/720555351.db2.gz GSGWPNUDICWYEK-NMVJMZGASA-N 1 1 473.600 4.193 20 0 JIADMO 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 ZINC001164841149 720590468 /nfs/dbraw/zinc/59/04/68/720590468.db2.gz RIHWXRUKMYGUFK-SQGPQFPESA-N 1 1 481.975 4.031 20 0 JIADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164835589 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C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1C(=O)NCc1ccccc1)C2 ZINC001164909988 721747761 /nfs/dbraw/zinc/74/77/61/721747761.db2.gz WSJNUOZKHFGLOM-UHFFFAOYSA-N 1 1 467.573 4.194 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)C2 ZINC001164908862 721749016 /nfs/dbraw/zinc/74/90/16/721749016.db2.gz MSJBLKNGUPVSGK-UHFFFAOYSA-N 1 1 450.543 4.006 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)C2 ZINC001164908862 721749019 /nfs/dbraw/zinc/74/90/19/721749019.db2.gz MSJBLKNGUPVSGK-UHFFFAOYSA-N 1 1 450.543 4.006 20 0 JIADMO Cc1cccc(-c2cc(C(F)(F)N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c(Cl)nn2)c1 ZINC001165012862 721750466 /nfs/dbraw/zinc/75/04/66/721750466.db2.gz PKRDSKBJPVTBQR-UHFFFAOYSA-N 1 1 477.987 4.173 20 0 JIADMO COC(=O)c1cc2c(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)[nH]c(Cl)cc-2n1 ZINC001164910103 721758269 /nfs/dbraw/zinc/75/82/69/721758269.db2.gz MGQZJGDYFPOHSN-UHFFFAOYSA-N 1 1 465.941 4.186 20 0 JIADMO COC(=O)c1cc2c(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)[nH]c(Cl)cc-2n1 ZINC001164910103 721758275 /nfs/dbraw/zinc/75/82/75/721758275.db2.gz MGQZJGDYFPOHSN-UHFFFAOYSA-N 1 1 465.941 4.186 20 0 JIADMO CN(C)c1ccc(-c2ccnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)n2)cc1 ZINC001164910066 721758931 /nfs/dbraw/zinc/75/89/31/721758931.db2.gz KMAOYEJUHJMZSL-UHFFFAOYSA-N 1 1 454.578 4.392 20 0 JIADMO CN(C)c1ccc(-c2ccnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)n2)cc1 ZINC001164910066 721758934 /nfs/dbraw/zinc/75/89/34/721758934.db2.gz KMAOYEJUHJMZSL-UHFFFAOYSA-N 1 1 454.578 4.392 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)n1 ZINC001165014142 721771980 /nfs/dbraw/zinc/77/19/80/721771980.db2.gz AMZDRGIXPNWHSW-MOPGFXCFSA-N 1 1 467.639 4.484 20 0 JIADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164916977 721787115 /nfs/dbraw/zinc/78/71/15/721787115.db2.gz UKBNHLRHJVRWSZ-LJAQVGFWSA-N 1 1 499.590 4.247 20 0 JIADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164916977 721787118 /nfs/dbraw/zinc/78/71/18/721787118.db2.gz UKBNHLRHJVRWSZ-LJAQVGFWSA-N 1 1 499.590 4.247 20 0 JIADMO Cc1nc2scc(-c3cccs3)c2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913769 721794497 /nfs/dbraw/zinc/79/44/97/721794497.db2.gz HDYIQIUGVWIJCA-RUZDIDTESA-N 1 1 493.658 4.231 20 0 JIADMO Cc1nc2scc(-c3cccs3)c2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913769 721794500 /nfs/dbraw/zinc/79/45/00/721794500.db2.gz HDYIQIUGVWIJCA-RUZDIDTESA-N 1 1 493.658 4.231 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C[C@H]21 ZINC001165020483 721804654 /nfs/dbraw/zinc/80/46/54/721804654.db2.gz FUSCWFNIMNGETE-DFQSSKMNSA-N 1 1 477.003 4.407 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1Cl ZINC001165020380 721806112 /nfs/dbraw/zinc/80/61/12/721806112.db2.gz FLYAWYHCFGIKGT-IPELMVKDSA-N 1 1 464.944 4.198 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC001164917758 721806802 /nfs/dbraw/zinc/80/68/02/721806802.db2.gz YBEGXFJEBWQXTA-CPJSRVTESA-N 1 1 467.639 4.362 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)n1 ZINC001165027206 721810862 /nfs/dbraw/zinc/81/08/62/721810862.db2.gz TVLIGVAZRVTIDP-KNBMTAEXSA-N 1 1 464.944 4.198 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4n3)C[C@@H]21 ZINC001165026476 721817246 /nfs/dbraw/zinc/81/72/46/721817246.db2.gz QTNJGLVDPNFLHB-HHXXYDBFSA-N 1 1 458.944 4.355 20 0 JIADMO Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001165025704 721828394 /nfs/dbraw/zinc/82/83/94/721828394.db2.gz NNGFPICYFYTEHP-QTJGBDASSA-N 1 1 456.594 4.169 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)n1 ZINC001164925683 721836572 /nfs/dbraw/zinc/83/65/72/721836572.db2.gz PHOIRVQZUZXBDN-FNZWTVRRSA-N 1 1 495.697 4.204 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)nc1 ZINC001164928707 721836939 /nfs/dbraw/zinc/83/69/39/721836939.db2.gz XXSPYQCVSFBVPX-PPJWLVRDSA-N 1 1 450.631 4.073 20 0 JIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2ccc3ncnc(Cl)c3n2)CC1 ZINC001165022040 721842036 /nfs/dbraw/zinc/84/20/36/721842036.db2.gz NTEVETWFFNBVMN-UHFFFAOYSA-N 1 1 477.943 4.341 20 0 JIADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@@H](Cc3ccccc3)C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165037184 721899948 /nfs/dbraw/zinc/89/99/48/721899948.db2.gz KUCABRYEPSPFBR-XZOQPEGZSA-N 1 1 464.654 4.340 20 0 JIADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940572 721926567 /nfs/dbraw/zinc/92/65/67/721926567.db2.gz TZBRUZQBLVZKJI-UHFFFAOYSA-N 1 1 480.996 4.250 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CC3)C2)cc1 ZINC001164938671 721927956 /nfs/dbraw/zinc/92/79/56/721927956.db2.gz DFBUFFVBWPERTK-UHFFFAOYSA-N 1 1 499.663 4.104 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)CC3)C2)cc1 ZINC001164940156 721931611 /nfs/dbraw/zinc/93/16/11/721931611.db2.gz QSJHGEOMGPCLBT-UHFFFAOYSA-N 1 1 461.944 4.336 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(-c5ccncc5)nc5c4CCC5)CC3)C2)cc1 ZINC001164940715 721932729 /nfs/dbraw/zinc/93/27/29/721932729.db2.gz YJTMVWVDAJNTDR-UHFFFAOYSA-N 1 1 455.606 4.207 20 0 JIADMO O=C(c1ccco1)N1CC[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164956981 722048089 /nfs/dbraw/zinc/04/80/89/722048089.db2.gz GJNBSEHTCNTQQS-AZUAARDMSA-N 1 1 491.661 4.500 20 0 JIADMO c1cnn(Cc2noc3c2CN(c2nc(C[NH+]4CCCCC4)nc4sc5c(c42)CCCC5)CC3)c1 ZINC001164959481 722050703 /nfs/dbraw/zinc/05/07/03/722050703.db2.gz LAJQEPDPKVMQAG-UHFFFAOYSA-N 1 1 489.649 4.352 20 0 JIADMO FC(F)(c1ccc(Cl)nc1Cl)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961287 722052615 /nfs/dbraw/zinc/05/26/15/722052615.db2.gz XEPIRLZGSKUVMR-UHFFFAOYSA-N 1 1 457.352 4.447 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@H]3CCN4C(=O)c3cscn3)c2c1C ZINC001164965109 722065128 /nfs/dbraw/zinc/06/51/28/722065128.db2.gz ISEBYKUZXOJDEC-MOPGFXCFSA-N 1 1 482.679 4.244 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2cscn2)n1 ZINC001164966873 722065604 /nfs/dbraw/zinc/06/56/04/722065604.db2.gz YBVIYQAMZBZYTA-VQTJNVASSA-N 1 1 490.658 4.370 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CCc5onc(COc6ccccn6)c5C4)ccc3C2)cc1 ZINC001164968634 722082827 /nfs/dbraw/zinc/08/28/27/722082827.db2.gz FRDJDWMAVDYKMQ-UHFFFAOYSA-N 1 1 453.546 4.165 20 0 JIADMO O=C(NC1CCC1)C1C[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]2C1 ZINC001164976719 722085558 /nfs/dbraw/zinc/08/55/58/722085558.db2.gz WFPZNYRBSDTWOM-RTBURBONSA-N 1 1 479.694 4.297 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@@H]3C2)nc1 ZINC001164971294 722090877 /nfs/dbraw/zinc/09/08/77/722090877.db2.gz BAIVPGPDOQPGIC-YMPZKCBVSA-N 1 1 454.640 4.018 20 0 JIADMO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164981411 722097291 /nfs/dbraw/zinc/09/72/91/722097291.db2.gz OBMINHSMGYCPCN-PNIUZAESSA-N 1 1 467.617 4.186 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4c5ccccc5[C@@H](NC(=O)N(C)C)[C@@H]4C3)c2c1C ZINC001164986014 722098038 /nfs/dbraw/zinc/09/80/38/722098038.db2.gz XRVCTDHIPASJBK-PQNGQFLHSA-N 1 1 490.677 4.450 20 0 JIADMO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164978103 722141343 /nfs/dbraw/zinc/14/13/43/722141343.db2.gz JZEKXAQUBNXEOT-DHIUTWEWSA-N 1 1 486.645 4.492 20 0 JIADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982566 722144204 /nfs/dbraw/zinc/14/42/04/722144204.db2.gz RQWOZFUQLNAKHP-NFBKMPQASA-N 1 1 485.966 4.464 20 0 JIADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981127 722148195 /nfs/dbraw/zinc/14/81/95/722148195.db2.gz OOUZXAFDGLAHIB-OPHFCASCSA-N 1 1 483.975 4.047 20 0 JIADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978899 722150384 /nfs/dbraw/zinc/15/03/84/722150384.db2.gz KOHXENJTABIESO-NZQKXSOJSA-N 1 1 485.966 4.464 20 0 JIADMO C[NH+]1CCC(Oc2ccnc(N3CCC4(CC3)CC(=O)N(CC3CC3)c3ccccc34)c2)CC1 ZINC001164977131 722161268 /nfs/dbraw/zinc/16/12/68/722161268.db2.gz XJHHURNQVBLOMR-UHFFFAOYSA-N 1 1 460.622 4.240 20 0 JIADMO COC(=O)c1ccc2nc(Cl)c(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2c1 ZINC001164993973 722193167 /nfs/dbraw/zinc/19/31/67/722193167.db2.gz KBCAFNLWABEKSA-XMMPIXPASA-N 1 1 454.933 4.454 20 0 JIADMO COC(=O)c1ccc2nc(Cl)c(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2c1 ZINC001164993973 722193169 /nfs/dbraw/zinc/19/31/69/722193169.db2.gz KBCAFNLWABEKSA-XMMPIXPASA-N 1 1 454.933 4.454 20 0 JIADMO O=C(Nc1nncs1)c1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164994891 722209016 /nfs/dbraw/zinc/20/90/16/722209016.db2.gz JKWDEXYNLCAMPU-QFIPXVFZSA-N 1 1 472.977 4.223 20 0 JIADMO O=C(Nc1nncs1)c1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164994891 722209017 /nfs/dbraw/zinc/20/90/17/722209017.db2.gz JKWDEXYNLCAMPU-QFIPXVFZSA-N 1 1 472.977 4.223 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 ZINC001164998017 722220331 /nfs/dbraw/zinc/22/03/31/722220331.db2.gz GNVVLJBXFVQKPO-CUNXSJBXSA-N 1 1 462.594 4.381 20 0 JIADMO CCN(CC)c1ccnc([C@H]2COCCN2c2nc(C[NH+](CC)CC)nc3sc(C)c(C)c32)n1 ZINC001165000072 722227046 /nfs/dbraw/zinc/22/70/46/722227046.db2.gz PUZSRCLWCFIJIR-LJQANCHMSA-N 1 1 483.686 4.364 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1 ZINC001165005797 722270409 /nfs/dbraw/zinc/27/04/09/722270409.db2.gz KDQBEAZXOLJUAO-SHQCIBLASA-N 1 1 465.617 4.085 20 0 JIADMO Cc1nc(CO[C@H]2COC3(C2)CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC3)cs1 ZINC001165005238 722272872 /nfs/dbraw/zinc/27/28/72/722272872.db2.gz GPFRWTOGZXJWOH-HXUWFJFHSA-N 1 1 463.047 4.440 20 0 JIADMO C[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008999 722274516 /nfs/dbraw/zinc/27/45/16/722274516.db2.gz NCQNUWMJKQMEPF-QLWBXOBMSA-N 1 1 470.017 4.129 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC[C@H](C(F)F)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001300645608 1069318204 /nfs/dbraw/zinc/31/82/04/1069318204.db2.gz AIBGDUCEYMMWHR-OALUTQOASA-N 1 1 463.573 4.079 20 0 JIADMO O=C(CC1CCC2(CC1)OCCO2)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001354544293 1069319495 /nfs/dbraw/zinc/31/94/95/1069319495.db2.gz ABQPOMURWSYIBM-OAQYLSRUSA-N 1 1 454.533 4.223 20 0 JIADMO COc1ccc(COCC(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC001354545366 1069320155 /nfs/dbraw/zinc/32/01/55/1069320155.db2.gz KRAZJUZOCBQWHH-NRFANRHFSA-N 1 1 450.501 4.125 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C[C@](C)(O)C(C)C ZINC001300650498 1069332187 /nfs/dbraw/zinc/33/21/87/1069332187.db2.gz YOVJHQYBAGERBN-JWZKTCGFSA-N 1 1 499.700 4.364 20 0 JIADMO 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C/C(=C\c1ccccc1)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001359347788 1069421690 /nfs/dbraw/zinc/42/16/90/1069421690.db2.gz SXLMFQBZIDYSSA-BIRYMOPTSA-N 1 1 499.457 4.296 20 0 JIADMO C/C(=C\c1ccccc1)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001359347788 1069421696 /nfs/dbraw/zinc/42/16/96/1069421696.db2.gz SXLMFQBZIDYSSA-BIRYMOPTSA-N 1 1 499.457 4.296 20 0 JIADMO C/C(=C/c1ccccc1)CN(C)c1nnc(Cc2csc(C)n2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001359349145 1069425723 /nfs/dbraw/zinc/42/57/23/1069425723.db2.gz RPLCREHJSMBIAN-HKWRFOASSA-N 1 1 480.682 4.284 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001359353732 1069436975 /nfs/dbraw/zinc/43/69/75/1069436975.db2.gz LKCSRBUYUACERG-RUZDIDTESA-N 1 1 480.701 4.226 20 0 JIADMO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3Cl)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001359357338 1069446887 /nfs/dbraw/zinc/44/68/87/1069446887.db2.gz DEGABGRZPNWIKY-TZIWHRDSSA-N 1 1 473.065 4.168 20 0 JIADMO 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COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3CCOc3ncccc3Cl)CC2)c1 ZINC001315545142 1064549664 /nfs/dbraw/zinc/54/96/64/1064549664.db2.gz MAQJHCKCPXTHCU-HXUWFJFHSA-N 1 1 499.059 4.496 20 0 JIADMO COc1cccc([C@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001315545278 1064550476 /nfs/dbraw/zinc/55/04/76/1064550476.db2.gz MUAQXNIGXOLOIU-PKTZIBPZSA-N 1 1 482.717 4.490 20 0 JIADMO COc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001315551189 1064567912 /nfs/dbraw/zinc/56/79/12/1064567912.db2.gz GWDKAFWCKBEPIQ-UHFFFAOYSA-N 1 1 472.037 4.099 20 0 JIADMO COc1cccc(-c2nnc(N3CCC(CCCO)CC3)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001315558499 1064580970 /nfs/dbraw/zinc/58/09/70/1064580970.db2.gz XDDRJAKWKROHKF-UHFFFAOYSA-N 1 1 455.647 4.207 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)n2CCOCC(F)F)c1 ZINC001315561245 1064586749 /nfs/dbraw/zinc/58/67/49/1064586749.db2.gz UALZZITWWHOJJG-VQTJNVASSA-N 1 1 477.600 4.326 20 0 JIADMO 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450.002 4.473 20 0 JIADMO CSC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001316367037 1066110456 /nfs/dbraw/zinc/11/04/56/1066110456.db2.gz GTVORELPPFTKPB-JOCHJYFZSA-N 1 1 450.052 4.041 20 0 JIADMO CSC(C)(C)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001316374528 1066132753 /nfs/dbraw/zinc/13/27/53/1066132753.db2.gz XHDXIGRICLFQKS-HXUWFJFHSA-N 1 1 475.728 4.321 20 0 JIADMO CS[C@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001316378037 1066144890 /nfs/dbraw/zinc/14/48/90/1066144890.db2.gz INSVJWLRTCWBPT-SQWLQELKSA-N 1 1 468.440 4.271 20 0 JIADMO CS[C@@H](C)Cn1c(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001316386730 1066157225 /nfs/dbraw/zinc/15/72/25/1066157225.db2.gz HKJZZNMWCDBSPZ-HBMCJLEFSA-N 1 1 457.688 4.045 20 0 JIADMO CS[C@@H](C)Cn1c(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 ZINC001316386730 1066157230 /nfs/dbraw/zinc/15/72/30/1066157230.db2.gz HKJZZNMWCDBSPZ-HBMCJLEFSA-N 1 1 457.688 4.045 20 0 JIADMO COCCCn1c2nn(C[N@H+](CCc3ccccc3)C(C)C)c(=S)n2c2ccccc2c1=O ZINC001324684881 1066227207 /nfs/dbraw/zinc/22/72/07/1066227207.db2.gz VTXVBHNQGXPIJW-UHFFFAOYSA-N 1 1 465.623 4.127 20 0 JIADMO COCCCn1c2nn(C[N@@H+](CCc3ccccc3)C(C)C)c(=S)n2c2ccccc2c1=O ZINC001324684881 1066227224 /nfs/dbraw/zinc/22/72/24/1066227224.db2.gz VTXVBHNQGXPIJW-UHFFFAOYSA-N 1 1 465.623 4.127 20 0 JIADMO COc1cc(Br)c(OC)c(C(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC001324781892 1066229531 /nfs/dbraw/zinc/22/95/31/1066229531.db2.gz LCERKLXTCSQXKD-UHFFFAOYSA-N 1 1 451.386 4.267 20 0 JIADMO CS[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC001316423392 1066234874 /nfs/dbraw/zinc/23/48/74/1066234874.db2.gz RDRORYJFHNAJPA-QHCPKHFHSA-N 1 1 484.714 4.125 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc(Cc3ccsc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001316427800 1066252859 /nfs/dbraw/zinc/25/28/59/1066252859.db2.gz KSXNYKLELRFDMC-RTWAWAEBSA-N 1 1 463.717 4.009 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001316432320 1066273402 /nfs/dbraw/zinc/27/34/02/1066273402.db2.gz UYXSYMPTBCGENT-VQTJNVASSA-N 1 1 461.651 4.450 20 0 JIADMO COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001325991475 1066279093 /nfs/dbraw/zinc/27/90/93/1066279093.db2.gz LCYZMXYCJRDDFS-NRFANRHFSA-N 1 1 495.649 4.048 20 0 JIADMO CSC[C@H]1CCCN1c1nnc(-c2ccc(Cl)cc2F)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001316437912 1066291627 /nfs/dbraw/zinc/29/16/27/1066291627.db2.gz SHERSNSNGKXJCE-RTBURBONSA-N 1 1 482.069 4.306 20 0 JIADMO CSC[C@@H]1CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001316442999 1066306522 /nfs/dbraw/zinc/30/65/22/1066306522.db2.gz WIZCIDIJECLWNZ-UNMCSNQZSA-N 1 1 459.708 4.126 20 0 JIADMO CSCC[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001316443551 1066308280 /nfs/dbraw/zinc/30/82/80/1066308280.db2.gz DAJSFCGXBAAKNH-ZWKOTPCHSA-N 1 1 476.691 4.094 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)[C@@H](c2cnn(C)c2)C1 ZINC001327056891 1066310240 /nfs/dbraw/zinc/31/02/40/1066310240.db2.gz QTMYCCPIRAKPBR-DHIUTWEWSA-N 1 1 454.615 4.147 20 0 JIADMO 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 1066310828 /nfs/dbraw/zinc/31/08/28/1066310828.db2.gz VMRPRGGKMGSPFV-QZTJIDSGSA-N 1 1 460.447 4.407 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(CC(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)CC2)cc1 ZINC001327320778 1066315592 /nfs/dbraw/zinc/31/55/92/1066315592.db2.gz KJMLZPZGAFRUCN-UHFFFAOYSA-N 1 1 494.039 4.397 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CCOc3ccccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC001492503713 1066316179 /nfs/dbraw/zinc/31/61/79/1066316179.db2.gz SJFLOTVLNUCIOV-QHCPKHFHSA-N 1 1 466.605 4.423 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001316448651 1066324037 /nfs/dbraw/zinc/32/40/37/1066324037.db2.gz WWDBTYYGMDLUTH-BXKMTCNYSA-N 1 1 489.686 4.457 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@H]3CCCCCN3C(=O)OC(C)(C)C)C2)ccn1 ZINC001328858938 1066330343 /nfs/dbraw/zinc/33/03/43/1066330343.db2.gz TZOYWSIFBMJUIL-XZOQPEGZSA-N 1 1 474.646 4.081 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cccc(F)c3Br)C2)ccn1 ZINC001331003126 1066355171 /nfs/dbraw/zinc/35/51/71/1066355171.db2.gz PFSKFJZSAYFWJV-QGZVFWFLSA-N 1 1 450.352 4.117 20 0 JIADMO CSCCCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001316465151 1066364735 /nfs/dbraw/zinc/36/47/35/1066364735.db2.gz FQCHMWTYQGNPLC-AWEZNQCLSA-N 1 1 481.489 4.418 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[C@@](C)(O)c2ccccc2)n1 ZINC001492516713 1066365787 /nfs/dbraw/zinc/36/57/87/1066365787.db2.gz UVNXFOOBNAOSKM-HHHXNRCGSA-N 1 1 462.642 4.257 20 0 JIADMO CC[NH+]1CCN(C(=O)c2ccc(NCc3ccc(OC(F)F)cc3OC(F)F)cc2)CC1 ZINC001333126715 1066383812 /nfs/dbraw/zinc/38/38/12/1066383812.db2.gz GFVWHYKUFFVDKS-UHFFFAOYSA-N 1 1 455.452 4.279 20 0 JIADMO Cc1cccc(CCCn2c(CCOc3ccccc3)nnc2N2CCC[N@H+](C(C)C)CC2)n1 ZINC001492527356 1066421103 /nfs/dbraw/zinc/42/11/03/1066421103.db2.gz ZKJVNEGJTKJBNA-UHFFFAOYSA-N 1 1 462.642 4.156 20 0 JIADMO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC001316497064 1066448423 /nfs/dbraw/zinc/44/84/23/1066448423.db2.gz PYHYQEXHMIHIJX-QKLQHJQFSA-N 1 1 476.463 4.442 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC(C)(C)C)n2CCCc2ccnc(C(C)(C)C)n2)C[C@H](C)O1 ZINC001316503187 1066468292 /nfs/dbraw/zinc/46/82/92/1066468292.db2.gz NKTAXRQATVCEDN-OYRHEFFESA-N 1 1 485.721 4.132 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC(C)(C)C)n2CCCc2ccnc(C(C)(C)C)n2)C[C@H](C)O1 ZINC001316503187 1066468303 /nfs/dbraw/zinc/46/83/03/1066468303.db2.gz NKTAXRQATVCEDN-OYRHEFFESA-N 1 1 485.721 4.132 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccnc3)n2CC2CCC(C(F)(F)F)CC2)C[C@H](C)O1 ZINC001316503972 1066471740 /nfs/dbraw/zinc/47/17/40/1066471740.db2.gz RSKYFMMJSORKBD-FUUYNRHESA-N 1 1 480.579 4.254 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccnc3)n2CC2CCC(C(F)(F)F)CC2)C[C@H](C)O1 ZINC001316503972 1066471763 /nfs/dbraw/zinc/47/17/63/1066471763.db2.gz RSKYFMMJSORKBD-FUUYNRHESA-N 1 1 480.579 4.254 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C3CCCC3)n2Cc2ccc(F)c(Cl)c2)C[C@H](C)O1 ZINC001316503942 1066472847 /nfs/dbraw/zinc/47/28/47/1066472847.db2.gz WEGHKPUTSDNMOW-CALCHBBNSA-N 1 1 450.002 4.322 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C3CCCC3)n2Cc2ccc(F)c(Cl)c2)C[C@H](C)O1 ZINC001316503942 1066472860 /nfs/dbraw/zinc/47/28/60/1066472860.db2.gz WEGHKPUTSDNMOW-CALCHBBNSA-N 1 1 450.002 4.322 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[C@H]2CCCCO2)C[C@H](C)O1 ZINC001316504561 1066475539 /nfs/dbraw/zinc/47/55/39/1066475539.db2.gz GBDOQSOZXBZTII-KEJFTWOCSA-N 1 1 491.721 4.091 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[C@H]2CCCCO2)C[C@H](C)O1 ZINC001316504561 1066475549 /nfs/dbraw/zinc/47/55/49/1066475549.db2.gz GBDOQSOZXBZTII-KEJFTWOCSA-N 1 1 491.721 4.091 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CCc3ccccc3)n2CCC2=CCCCC2)C[C@H](C)O1 ZINC001316505294 1066477989 /nfs/dbraw/zinc/47/79/89/1066477989.db2.gz OZSXXTNCVZKURJ-ZRZAMGCNSA-N 1 1 451.659 4.499 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CCc3ccccc3)n2CCC2=CCCCC2)C[C@H](C)O1 ZINC001316505294 1066478005 /nfs/dbraw/zinc/47/80/05/1066478005.db2.gz OZSXXTNCVZKURJ-ZRZAMGCNSA-N 1 1 451.659 4.499 20 0 JIADMO O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001337498314 1066486644 /nfs/dbraw/zinc/48/66/44/1066486644.db2.gz AFIPFLISNIHGNK-RUZDIDTESA-N 1 1 461.585 4.365 20 0 JIADMO O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001337498314 1066486672 /nfs/dbraw/zinc/48/66/72/1066486672.db2.gz AFIPFLISNIHGNK-RUZDIDTESA-N 1 1 461.585 4.365 20 0 JIADMO O=C(Nc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1)c1ccc(=O)[nH]c1 ZINC001337593676 1066496960 /nfs/dbraw/zinc/49/69/60/1066496960.db2.gz JZHALDIMOOLEPQ-UHFFFAOYSA-N 1 1 464.953 4.041 20 0 JIADMO O=C(Nc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1)c1ccc(=O)[nH]c1 ZINC001337593676 1066496967 /nfs/dbraw/zinc/49/69/67/1066496967.db2.gz JZHALDIMOOLEPQ-UHFFFAOYSA-N 1 1 464.953 4.041 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3nnc(SCc4ccc(F)cc4)s3)c2)CC1 ZINC001338478388 1066558210 /nfs/dbraw/zinc/55/82/10/1066558210.db2.gz SJRVZHYRZDNJMV-UHFFFAOYSA-N 1 1 486.642 4.039 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)c2)CC1 ZINC001338476243 1066558465 /nfs/dbraw/zinc/55/84/65/1066558465.db2.gz KBYQOYGRAIPSOT-JOCHJYFZSA-N 1 1 463.651 4.133 20 0 JIADMO CC(C)c1ccc(C2(C(=O)Nc3cccc(S(=O)(=O)N4CCC[N@H+](C)CC4)c3)CCC2)cc1 ZINC001338501880 1066560387 /nfs/dbraw/zinc/56/03/87/1066560387.db2.gz USDDQVVMGCRTQK-UHFFFAOYSA-N 1 1 469.651 4.197 20 0 JIADMO CC(C)c1ccc(C2(C(=O)Nc3cccc(S(=O)(=O)N4CCC[N@@H+](C)CC4)c3)CCC2)cc1 ZINC001338501880 1066560391 /nfs/dbraw/zinc/56/03/91/1066560391.db2.gz USDDQVVMGCRTQK-UHFFFAOYSA-N 1 1 469.651 4.197 20 0 JIADMO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC001339431666 1066577917 /nfs/dbraw/zinc/57/79/17/1066577917.db2.gz RFOZCQDTXAEAAX-QDSKXPNFSA-N 1 1 467.585 4.386 20 0 JIADMO Cc1cccc(CN2CCN(c3nnc(CC(C)C)n3C[C@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001492534647 1066581507 /nfs/dbraw/zinc/58/15/07/1066581507.db2.gz JGIKHEYSEYGMMR-RPWUZVMVSA-N 1 1 452.691 4.228 20 0 JIADMO Cc1cccc(CN2CCN(c3nnc(CC(C)C)n3C[C@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001492534647 1066581517 /nfs/dbraw/zinc/58/15/17/1066581517.db2.gz JGIKHEYSEYGMMR-RPWUZVMVSA-N 1 1 452.691 4.228 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492537469 1066593835 /nfs/dbraw/zinc/59/38/35/1066593835.db2.gz YZWFIPPHCWVQKY-JTHBVZDNSA-N 1 1 467.614 4.313 20 0 JIADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001316590915 1066620135 /nfs/dbraw/zinc/62/01/35/1066620135.db2.gz YLJKNEWRFXPWEL-GOSISDBHSA-N 1 1 484.859 4.268 20 0 JIADMO Cc1cccc([C@@H](Cn2c(-c3cccnc3)nnc2N(C)CCC(F)(F)F)[NH+]2CCOCC2)c1 ZINC001492479964 1066625682 /nfs/dbraw/zinc/62/56/82/1066625682.db2.gz ITCVEKLLYSMTSV-OAQYLSRUSA-N 1 1 474.531 4.111 20 0 JIADMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC001317729159 1066650884 /nfs/dbraw/zinc/65/08/84/1066650884.db2.gz BFBDSAPNMGZWTC-GOSISDBHSA-N 1 1 454.324 4.102 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)CC2)cc1 ZINC001317741413 1066659825 /nfs/dbraw/zinc/65/98/25/1066659825.db2.gz CDSSFGUHSPSVLR-UHFFFAOYSA-N 1 1 491.657 4.477 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC001492543116 1066663902 /nfs/dbraw/zinc/66/39/02/1066663902.db2.gz APLUOAVEUORBRZ-IBGZPJMESA-N 1 1 494.467 4.302 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(Cl)=C(Cl)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC001492543117 1066664058 /nfs/dbraw/zinc/66/40/58/1066664058.db2.gz APLUOAVEUORBRZ-LJQANCHMSA-N 1 1 494.467 4.302 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(CCCO)CC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001492543709 1066668926 /nfs/dbraw/zinc/66/89/26/1066668926.db2.gz VEAYVWGHTNIDKR-DEOSSOPVSA-N 1 1 469.674 4.275 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC001492544060 1066679041 /nfs/dbraw/zinc/67/90/41/1066679041.db2.gz FTKMLPOEDPRKSX-RTWAWAEBSA-N 1 1 495.590 4.181 20 0 JIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC001317813262 1066703313 /nfs/dbraw/zinc/70/33/13/1066703313.db2.gz BJTPAPNAIWVGOG-YPCDYVTLSA-N 1 1 458.606 4.348 20 0 JIADMO Cc1cc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)ccc1N1CC[NH+](C)CC1 ZINC001317832658 1066717721 /nfs/dbraw/zinc/71/77/21/1066717721.db2.gz AKADJXVCXRMWPW-XMMPIXPASA-N 1 1 456.034 4.359 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC[C@@H](C)CC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492545235 1066732340 /nfs/dbraw/zinc/73/23/40/1066732340.db2.gz IVXDQWNRFLJMAD-ZJSXRUAMSA-N 1 1 455.647 4.149 20 0 JIADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2nn(-c3ccccc3F)cc2Br)CC1 ZINC001317873117 1066746840 /nfs/dbraw/zinc/74/68/40/1066746840.db2.gz NQOQZQQGYLRGNE-UHFFFAOYSA-N 1 1 457.347 4.040 20 0 JIADMO C[C@@H](OC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001348475485 1066747469 /nfs/dbraw/zinc/74/74/69/1066747469.db2.gz FVORWMIOOQDKOS-DYESRHJHSA-N 1 1 484.021 4.323 20 0 JIADMO CC(C)c1ccc([C@H](CNC(=O)N(C)Cc2nnc3n2CCC3)[N@@H+]2CCc3sccc3C2)cc1 ZINC001317882475 1066751836 /nfs/dbraw/zinc/75/18/36/1066751836.db2.gz VOOSEEXIKFUARE-QFIPXVFZSA-N 1 1 478.666 4.350 20 0 JIADMO CC(C)c1ccc([C@H](CNC(=O)N(C)Cc2nnc3n2CCC3)[N@H+]2CCc3sccc3C2)cc1 ZINC001317882475 1066751841 /nfs/dbraw/zinc/75/18/41/1066751841.db2.gz VOOSEEXIKFUARE-QFIPXVFZSA-N 1 1 478.666 4.350 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)CC2)cc1 ZINC001317883205 1066752748 /nfs/dbraw/zinc/75/27/48/1066752748.db2.gz LPBIPEOGHCJHEQ-UHFFFAOYSA-N 1 1 484.666 4.218 20 0 JIADMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)c2ccc(-c3ccccc3)s2)ccc1F ZINC001317885064 1066754139 /nfs/dbraw/zinc/75/41/39/1066754139.db2.gz SJBLBTXZXACRQD-UHFFFAOYSA-N 1 1 453.539 4.467 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(Br)ccc3N3CCOCC3)CC2)cc1 ZINC001317886503 1066755868 /nfs/dbraw/zinc/75/58/68/1066755868.db2.gz JXJVULQTLFCCQQ-UHFFFAOYSA-N 1 1 487.442 4.334 20 0 JIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001317889999 1066759588 /nfs/dbraw/zinc/75/95/88/1066759588.db2.gz XHAJYFOVODOEEX-GOSISDBHSA-N 1 1 476.543 4.309 20 0 JIADMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001349166639 1066816295 /nfs/dbraw/zinc/81/62/95/1066816295.db2.gz SCUNUMSTRCZEDW-NRFANRHFSA-N 1 1 450.004 4.064 20 0 JIADMO O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318074698 1066886454 /nfs/dbraw/zinc/88/64/54/1066886454.db2.gz XNFDSRSMQNPATC-NRFANRHFSA-N 1 1 468.026 4.377 20 0 JIADMO O=C(COc1cc(-c2ccccc2)sc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC001318074379 1066886477 /nfs/dbraw/zinc/88/64/77/1066886477.db2.gz PCNJZIUXAADKMM-NRFANRHFSA-N 1 1 467.635 4.117 20 0 JIADMO CC[NH+](CC)[C@H](CNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccccc1 ZINC001349863938 1066888736 /nfs/dbraw/zinc/88/87/36/1066888736.db2.gz TYFSMFOCOCUQFB-RUZDIDTESA-N 1 1 450.604 4.473 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)C1 ZINC001318084776 1066892531 /nfs/dbraw/zinc/89/25/31/1066892531.db2.gz VJBBAEWZFWBUGR-ZBKJKTKLSA-N 1 1 479.621 4.036 20 0 JIADMO O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC001318103085 1066900860 /nfs/dbraw/zinc/90/08/60/1066900860.db2.gz QKOVRMORAMUUFL-NAKRPHOHSA-N 1 1 480.612 4.359 20 0 JIADMO COC(=O)/C=C\c1ccc(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)o1 ZINC001350123861 1066920999 /nfs/dbraw/zinc/92/09/99/1066920999.db2.gz SEPFJFOSSUQSPW-OWBHPGMISA-N 1 1 459.546 4.036 20 0 JIADMO CCOC(=O)N1CCC(OC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)CC1 ZINC001350131944 1066922157 /nfs/dbraw/zinc/92/21/57/1066922157.db2.gz KVSLOWXWAJHXFE-SHQCIBLASA-N 1 1 450.579 4.240 20 0 JIADMO O=C1Nc2ccccc2[C@@H]1C1CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC001318168283 1066935832 /nfs/dbraw/zinc/93/58/32/1066935832.db2.gz KFUKEIDWVRXING-FQEVSTJZSA-N 1 1 453.340 4.447 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccccc2OC)C1 ZINC001318173181 1066939150 /nfs/dbraw/zinc/93/91/50/1066939150.db2.gz LQBGAELCWKBIAO-GNMGOMLTSA-N 1 1 463.622 4.336 20 0 JIADMO O=C(NCc1ccc2c(c1)OCO2)[C@H](c1ccccc1)[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001318173398 1066939523 /nfs/dbraw/zinc/93/95/23/1066939523.db2.gz LJCGOSGRQSSHAV-SXOMAYOGSA-N 1 1 483.568 4.221 20 0 JIADMO CCCCSc1ccc(C(=O)NC2CC[NH+](CC(=O)NCCC)CC2)cc1C(F)(F)F ZINC001350291904 1066940914 /nfs/dbraw/zinc/94/09/14/1066940914.db2.gz TXGVCPFNOAOCLW-UHFFFAOYSA-N 1 1 459.578 4.318 20 0 JIADMO COc1cc(NC(=O)C[N@H+](C)Cc2ccccc2)c(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC001318182556 1066944244 /nfs/dbraw/zinc/94/42/44/1066944244.db2.gz OKXSUGXCMAVECM-KDURUIRLSA-N 1 1 453.583 4.177 20 0 JIADMO COc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2)c(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC001318182556 1066944259 /nfs/dbraw/zinc/94/42/59/1066944259.db2.gz OKXSUGXCMAVECM-KDURUIRLSA-N 1 1 453.583 4.177 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC001318214216 1066963356 /nfs/dbraw/zinc/96/33/56/1066963356.db2.gz PWTFSZKUMGDAQQ-KRWDZBQOSA-N 1 1 496.409 4.303 20 0 JIADMO Cc1[nH]c2ccccc2c1C1=CCN(C(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC001318234552 1066975629 /nfs/dbraw/zinc/97/56/29/1066975629.db2.gz MDSDAZGKYMYUBK-UHFFFAOYSA-N 1 1 457.622 4.223 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3ccc(N4CCc5sccc5C4)cc3)c2)CC1 ZINC001318234794 1066975960 /nfs/dbraw/zinc/97/59/60/1066975960.db2.gz OIFUUOORUNUWDF-UHFFFAOYSA-N 1 1 475.662 4.380 20 0 JIADMO CC[N@H+](CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC001318246081 1066981360 /nfs/dbraw/zinc/98/13/60/1066981360.db2.gz ZWQULHJLAUKXKK-UHFFFAOYSA-N 1 1 455.908 4.459 20 0 JIADMO CC[N@@H+](CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC001318246081 1066981372 /nfs/dbraw/zinc/98/13/72/1066981372.db2.gz ZWQULHJLAUKXKK-UHFFFAOYSA-N 1 1 455.908 4.459 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2NC(=O)c2ccc(OC)cc2)C1 ZINC001318251176 1066983979 /nfs/dbraw/zinc/98/39/79/1066983979.db2.gz WVDPTYRVLTZXQP-INIZCTEOSA-N 1 1 474.399 4.172 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001318262987 1066990129 /nfs/dbraw/zinc/99/01/29/1066990129.db2.gz RPWJTCLEOXRDSH-IBGZPJMESA-N 1 1 451.958 4.194 20 0 JIADMO CN1CC[N@@H+](CCCNC(=O)N2CCC(Nc3ccccc3Cl)CC2)[C@@H](c2ccccc2)C1 ZINC001318299078 1067007457 /nfs/dbraw/zinc/00/74/57/1067007457.db2.gz XHBGCUREJZLUQK-RUZDIDTESA-N 1 1 470.061 4.305 20 0 JIADMO C[N@@H+]1CCN(CCCNC(=O)N2CCC(Nc3ccccc3Cl)CC2)[C@@H](c2ccccc2)C1 ZINC001318299078 1067007468 /nfs/dbraw/zinc/00/74/68/1067007468.db2.gz XHBGCUREJZLUQK-RUZDIDTESA-N 1 1 470.061 4.305 20 0 JIADMO C[N@H+]1CCN(CCCNC(=O)N2CCC(Nc3ccccc3Cl)CC2)[C@@H](c2ccccc2)C1 ZINC001318299078 1067007479 /nfs/dbraw/zinc/00/74/79/1067007479.db2.gz XHBGCUREJZLUQK-RUZDIDTESA-N 1 1 470.061 4.305 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC001318304866 1067009123 /nfs/dbraw/zinc/00/91/23/1067009123.db2.gz QTNBQHACJWNDAA-OAQYLSRUSA-N 1 1 484.025 4.356 20 0 JIADMO S=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001200739021 1067016907 /nfs/dbraw/zinc/01/69/07/1067016907.db2.gz NLLXLFTZNONNGN-BJKOFHAPSA-N 1 1 459.615 4.438 20 0 JIADMO FC(F)(F)c1cccc(C[NH+]2CCC(NC(=S)NCc3ccc4c(c3)OCO4)CC2)c1 ZINC001200740016 1067020144 /nfs/dbraw/zinc/02/01/44/1067020144.db2.gz VXWDCDQRSWASDM-UHFFFAOYSA-N 1 1 451.514 4.063 20 0 JIADMO COc1ccccc1SCc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC(C)(C)OC ZINC001300683645 1067020777 /nfs/dbraw/zinc/02/07/77/1067020777.db2.gz LXPUVVUXJTXLSY-IBGZPJMESA-N 1 1 473.687 4.315 20 0 JIADMO COc1ccccc1SCc1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@](C)(O)CCC(C)C ZINC001300683808 1067022154 /nfs/dbraw/zinc/02/21/54/1067022154.db2.gz NFIVBLTVZPTBSS-QFQXNSOFSA-N 1 1 487.714 4.441 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3)c2)CC1 ZINC001318457423 1067044492 /nfs/dbraw/zinc/04/44/92/1067044492.db2.gz HUZISDYPNVWPJD-UHFFFAOYSA-N 1 1 475.568 4.147 20 0 JIADMO C[C@@H]1C[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001474724907 1067057650 /nfs/dbraw/zinc/05/76/50/1067057650.db2.gz ZLVZLVDHNFVDMU-LJQANCHMSA-N 1 1 458.578 4.061 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001474724907 1067057668 /nfs/dbraw/zinc/05/76/68/1067057668.db2.gz ZLVZLVDHNFVDMU-LJQANCHMSA-N 1 1 458.578 4.061 20 0 JIADMO CCN(CC)S(=O)(=O)c1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)ccc1Cl ZINC001318702643 1067058558 /nfs/dbraw/zinc/05/85/58/1067058558.db2.gz PTDPEQSUYNKIHI-UHFFFAOYSA-N 1 1 493.073 4.419 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cccn2-c2c(Cl)cccc2Cl)c1 ZINC001351237217 1067062666 /nfs/dbraw/zinc/06/26/66/1067062666.db2.gz ORQURUZQMMTVRY-IBGZPJMESA-N 1 1 457.361 4.486 20 0 JIADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cccn2-c2c(Cl)cccc2Cl)c1 ZINC001351237217 1067062678 /nfs/dbraw/zinc/06/26/78/1067062678.db2.gz ORQURUZQMMTVRY-IBGZPJMESA-N 1 1 457.361 4.486 20 0 JIADMO Cc1cc(Br)c(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1Cl ZINC001351237824 1067063544 /nfs/dbraw/zinc/06/35/44/1067063544.db2.gz SRSWMWXBNARFSI-GOSISDBHSA-N 1 1 450.764 4.113 20 0 JIADMO Cc1cc(Br)c(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc1Cl ZINC001351237824 1067063561 /nfs/dbraw/zinc/06/35/61/1067063561.db2.gz SRSWMWXBNARFSI-GOSISDBHSA-N 1 1 450.764 4.113 20 0 JIADMO Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CCCC2)cc1 ZINC001354728640 1067064922 /nfs/dbraw/zinc/06/49/22/1067064922.db2.gz CBERFTSRAWAGNH-XUZZJYLKSA-N 1 1 454.636 4.108 20 0 JIADMO Cc1nc([C@@H]2CCOC2)sc1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001351273702 1067069077 /nfs/dbraw/zinc/06/90/77/1067069077.db2.gz QMIRIYCGXSVKNP-QGZVFWFLSA-N 1 1 453.530 4.322 20 0 JIADMO Cc1nc([C@@H]2CCOC2)sc1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001351273702 1067069090 /nfs/dbraw/zinc/06/90/90/1067069090.db2.gz QMIRIYCGXSVKNP-QGZVFWFLSA-N 1 1 453.530 4.322 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1F ZINC001351326840 1067077288 /nfs/dbraw/zinc/07/72/88/1067077288.db2.gz LBCKCDSQTAABBT-FQEVSTJZSA-N 1 1 452.530 4.245 20 0 JIADMO COc1ccc(C(NC(=O)NCC[N@@H+]2CCc3sccc3C2)c2ccc(OC)cc2)cc1 ZINC001319781324 1067079354 /nfs/dbraw/zinc/07/93/54/1067079354.db2.gz MXRLSGZPPCWASV-UHFFFAOYSA-N 1 1 451.592 4.212 20 0 JIADMO COc1ccc(C(NC(=O)NCC[N@H+]2CCc3sccc3C2)c2ccc(OC)cc2)cc1 ZINC001319781324 1067079372 /nfs/dbraw/zinc/07/93/72/1067079372.db2.gz MXRLSGZPPCWASV-UHFFFAOYSA-N 1 1 451.592 4.212 20 0 JIADMO COC(=O)[C@H]1C[NH+](Cc2ccc(Cl)cc2Oc2ccc(Cl)c(F)c2)C[C@@H]1C(=O)OC ZINC001474748799 1067090188 /nfs/dbraw/zinc/09/01/88/1067090188.db2.gz RNRKOEJDPIQPNR-HOTGVXAUSA-N 1 1 456.297 4.319 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(F)cc2)C1 ZINC001320749201 1067092279 /nfs/dbraw/zinc/09/22/79/1067092279.db2.gz JZTKOHRQCNDCJJ-KRWDZBQOSA-N 1 1 471.577 4.153 20 0 JIADMO CC(C)(CNC(=O)NCc1ccc(-n2cnc3ccccc32)nc1)[N@H+]1CCc2ccccc2C1 ZINC001320809512 1067093311 /nfs/dbraw/zinc/09/33/11/1067093311.db2.gz LDSSLMNMKUFFLG-UHFFFAOYSA-N 1 1 454.578 4.057 20 0 JIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)c1 ZINC001321416384 1067120076 /nfs/dbraw/zinc/12/00/76/1067120076.db2.gz ZWPYEXYXYCEMBH-QGZVFWFLSA-N 1 1 476.556 4.349 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)c1 ZINC001321416384 1067120083 /nfs/dbraw/zinc/12/00/83/1067120083.db2.gz ZWPYEXYXYCEMBH-QGZVFWFLSA-N 1 1 476.556 4.349 20 0 JIADMO O=C(NCc1ccccc1)NC1(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)CCCC1 ZINC001321485275 1067142782 /nfs/dbraw/zinc/14/27/82/1067142782.db2.gz FSOXREOWHHSGOS-UHFFFAOYSA-N 1 1 474.609 4.300 20 0 JIADMO Fc1cc(Br)cc(Br)c1NC(=S)Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001200797264 1067163739 /nfs/dbraw/zinc/16/37/39/1067163739.db2.gz ILIYVZSNCYQOAV-UHFFFAOYSA-N 1 1 490.196 4.391 20 0 JIADMO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001321725283 1067203734 /nfs/dbraw/zinc/20/37/34/1067203734.db2.gz NQPYACOJFLJRSZ-HDICACEKSA-N 1 1 483.638 4.128 20 0 JIADMO COC1CCC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001300737549 1067206192 /nfs/dbraw/zinc/20/61/92/1067206192.db2.gz QYXMKRCYEUXKIB-BWWMBTDCSA-N 1 1 461.695 4.322 20 0 JIADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1 ZINC001351866179 1067228144 /nfs/dbraw/zinc/22/81/44/1067228144.db2.gz UJMAUCCZLXHBCE-HSZRJFAPSA-N 1 1 457.977 4.127 20 0 JIADMO CCCc1c(C(=O)Nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)cnn1-c1cccc(C)c1 ZINC001351896613 1067235714 /nfs/dbraw/zinc/23/57/14/1067235714.db2.gz UAWBFUNWTYJBGC-UHFFFAOYSA-N 1 1 459.594 4.163 20 0 JIADMO CN(C(=O)C[NH+]1CCC(c2nc3ccccc3o2)CC1)c1ccccc1C(=O)NCc1ccco1 ZINC001321984420 1067236851 /nfs/dbraw/zinc/23/68/51/1067236851.db2.gz SYXZAYNOHKQMKC-UHFFFAOYSA-N 1 1 472.545 4.193 20 0 JIADMO COc1cc(Br)c(OC)c(C(=O)Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)c1 ZINC001322065795 1067245385 /nfs/dbraw/zinc/24/53/85/1067245385.db2.gz MMCBDBZGRTUQRB-UHFFFAOYSA-N 1 1 490.398 4.451 20 0 JIADMO CC(C)[C@@H](CNC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1)[NH+]1CCC(C)CC1 ZINC001354889672 1067254128 /nfs/dbraw/zinc/25/41/28/1067254128.db2.gz OPKMUHTZTQPCIY-JOCHJYFZSA-N 1 1 452.636 4.175 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)C1 ZINC001322126775 1067254676 /nfs/dbraw/zinc/25/46/76/1067254676.db2.gz DVBKYRMMYVPCGL-QGZVFWFLSA-N 1 1 474.030 4.180 20 0 JIADMO Cc1nn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001351980395 1067262007 /nfs/dbraw/zinc/26/20/07/1067262007.db2.gz DJBBSXKXYMWVPF-UHFFFAOYSA-N 1 1 459.516 4.226 20 0 JIADMO CO[C@H]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300749184 1067265499 /nfs/dbraw/zinc/26/54/99/1067265499.db2.gz PDPARDGSWHJZKZ-FSSWDIPSSA-N 1 1 490.693 4.086 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001300749893 1067267900 /nfs/dbraw/zinc/26/79/00/1067267900.db2.gz SPGUPGQOFFBFGQ-FGZHOGPDSA-N 1 1 482.654 4.127 20 0 JIADMO Cc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cnn1-c1cccc(Br)c1 ZINC001352018930 1067269898 /nfs/dbraw/zinc/26/98/98/1067269898.db2.gz IUGGYQJJPDKSHS-FQEVSTJZSA-N 1 1 457.372 4.493 20 0 JIADMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001352042449 1067274880 /nfs/dbraw/zinc/27/48/80/1067274880.db2.gz ZDJGRCLBTOBASF-UHFFFAOYSA-N 1 1 451.489 4.434 20 0 JIADMO CO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001300753419 1067278617 /nfs/dbraw/zinc/27/86/17/1067278617.db2.gz HYFRAXCXNNMUTM-PWRODBHTSA-N 1 1 459.610 4.437 20 0 JIADMO Cc1cccc(OCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001492550824 1067282862 /nfs/dbraw/zinc/28/28/62/1067282862.db2.gz SOTPKFFYXAWVEJ-UHFFFAOYSA-N 1 1 455.006 4.301 20 0 JIADMO CCOC(=O)c1[nH]c(C)c(C[NH2+][C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)c1C ZINC001200819817 1067288033 /nfs/dbraw/zinc/28/80/33/1067288033.db2.gz DBGUPEKKWNIFNL-HSZRJFAPSA-N 1 1 458.555 4.230 20 0 JIADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)C[C@H](C)O1 ZINC001352162561 1067303342 /nfs/dbraw/zinc/30/33/42/1067303342.db2.gz KWPOZBVQFCDUJI-GJZGRUSLSA-N 1 1 451.583 4.370 20 0 JIADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C[C@@H](C)O1 ZINC001352163357 1067304099 /nfs/dbraw/zinc/30/40/99/1067304099.db2.gz QQOUWWBHTFIOOI-IAGOWNOFSA-N 1 1 456.974 4.403 20 0 JIADMO COc1ccccc1[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)N1CCCC1 ZINC001323085775 1067313755 /nfs/dbraw/zinc/31/37/55/1067313755.db2.gz KIWQRDPEGZBUBX-RUZDIDTESA-N 1 1 450.627 4.058 20 0 JIADMO COc1ccccc1[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)N1CCCC1 ZINC001323085775 1067313772 /nfs/dbraw/zinc/31/37/72/1067313772.db2.gz KIWQRDPEGZBUBX-RUZDIDTESA-N 1 1 450.627 4.058 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001300771761 1067320649 /nfs/dbraw/zinc/32/06/49/1067320649.db2.gz FBLNOLSHCLOBCD-ISKFKSNPSA-N 1 1 455.647 4.354 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2CC2CCN(CC[NH+](C)C)CC2)n1 ZINC001492495029 1067322536 /nfs/dbraw/zinc/32/25/36/1067322536.db2.gz NROCNNGYTITCOX-HXUWFJFHSA-N 1 1 497.638 4.398 20 0 JIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cnc(-c3ccncc3)s2)c1 ZINC001354999627 1067329447 /nfs/dbraw/zinc/32/94/47/1067329447.db2.gz AFCHHQSBKKVEIA-OAHLLOKOSA-N 1 1 453.543 4.409 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cnc(-c3ccncc3)s2)c1 ZINC001354999627 1067329460 /nfs/dbraw/zinc/32/94/60/1067329460.db2.gz AFCHHQSBKKVEIA-OAHLLOKOSA-N 1 1 453.543 4.409 20 0 JIADMO 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 1067331082 /nfs/dbraw/zinc/33/10/82/1067331082.db2.gz WCLBWWQULDQVPA-CBQGHPETSA-N 1 1 497.688 4.355 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3cccs3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300001758 1067340538 /nfs/dbraw/zinc/34/05/38/1067340538.db2.gz GYNPQJYXDJVSPU-GOSISDBHSA-N 1 1 455.628 4.392 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C/C=C/c2ccccc2)n1 ZINC001492498187 1067341119 /nfs/dbraw/zinc/34/11/19/1067341119.db2.gz URIUFCBORQYICD-UKTHLTGXSA-N 1 1 460.626 4.157 20 0 JIADMO CO[C@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001300785039 1067345370 /nfs/dbraw/zinc/34/53/70/1067345370.db2.gz ODUZEPKMYOEPPK-LPHOPBHVSA-N 1 1 450.052 4.322 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CCCn2cc[nH+]c2C)cc1 ZINC001300003578 1067347930 /nfs/dbraw/zinc/34/79/30/1067347930.db2.gz OBMYWICHLGSHLR-UHFFFAOYSA-N 1 1 460.586 4.099 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC3CC(F)(F)C3)n2CCn2cc[nH+]c2C)cc1Br ZINC001300005959 1067354076 /nfs/dbraw/zinc/35/40/76/1067354076.db2.gz IVVLONGEKOSSJL-UHFFFAOYSA-N 1 1 495.372 4.403 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC3CCC3)n2CC[N@H+]2CCC[C@H]2C)cc1Br ZINC001300009055 1067359898 /nfs/dbraw/zinc/35/98/98/1067359898.db2.gz MOERCUCJBJMHMI-MRXNPFEDSA-N 1 1 462.436 4.437 20 0 JIADMO CO[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCCC(C)(C)C2)CC1(C)C ZINC001300792344 1067363113 /nfs/dbraw/zinc/36/31/13/1067363113.db2.gz WCGNMQRUCDZTEK-QFIPXVFZSA-N 1 1 482.673 4.130 20 0 JIADMO COc1ccc(-c2nnc(N(Cc3cccs3)C(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)c(OC)c1 ZINC001300016793 1067377109 /nfs/dbraw/zinc/37/71/09/1067377109.db2.gz GLEVJKMYWMZXKA-IBGZPJMESA-N 1 1 485.654 4.160 20 0 JIADMO COc1ccc(-c2nnc(N(Cc3cccs3)C(C)C)n2CC[N@H+]2CCOC[C@@H]2C)c(OC)c1 ZINC001300016793 1067377124 /nfs/dbraw/zinc/37/71/24/1067377124.db2.gz GLEVJKMYWMZXKA-IBGZPJMESA-N 1 1 485.654 4.160 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300022963 1067390803 /nfs/dbraw/zinc/39/08/03/1067390803.db2.gz AGXJEHZNZJJIIW-RDPSFJRHSA-N 1 1 485.673 4.336 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC[N@@H+](C)C2CCCC2)cc1Br ZINC001300023298 1067391964 /nfs/dbraw/zinc/39/19/64/1067391964.db2.gz FAJIKVQIFZOJFS-IRXDYDNUSA-N 1 1 492.462 4.204 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(CNC(C)=O)CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300040768 1067464231 /nfs/dbraw/zinc/46/42/31/1067464231.db2.gz BUEGRXIWUMQHCG-OYRHEFFESA-N 1 1 496.700 4.063 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CCCCn2cc[nH+]c2C)c(OC)c1 ZINC001300042260 1067479435 /nfs/dbraw/zinc/47/94/35/1067479435.db2.gz YLIGSPBVZAZZKY-UHFFFAOYSA-N 1 1 460.529 4.183 20 0 JIADMO CCCCc1nc(-c2cccc(OC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c2)no1 ZINC001355542846 1067504192 /nfs/dbraw/zinc/50/41/92/1067504192.db2.gz BCOGQDPVTZMFHS-FGZHOGPDSA-N 1 1 451.571 4.232 20 0 JIADMO CCOC(=O)Nc1ccc(C(=O)N[C@H](CC)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC001355546653 1067507410 /nfs/dbraw/zinc/50/74/10/1067507410.db2.gz TVGGQLINORQBBT-FGZHOGPDSA-N 1 1 459.974 4.318 20 0 JIADMO CCOC(=O)Nc1ccc(C(=O)N[C@H](CC)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC001355546653 1067507429 /nfs/dbraw/zinc/50/74/29/1067507429.db2.gz TVGGQLINORQBBT-FGZHOGPDSA-N 1 1 459.974 4.318 20 0 JIADMO CCOC(=O)Nc1ccc(C(=O)N[C@H](CC)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC001355546657 1067507782 /nfs/dbraw/zinc/50/77/82/1067507782.db2.gz TVGGQLINORQBBT-YADHBBJMSA-N 1 1 459.974 4.318 20 0 JIADMO CCOC(=O)Nc1ccc(C(=O)N[C@H](CC)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC001355546657 1067507806 /nfs/dbraw/zinc/50/78/06/1067507806.db2.gz TVGGQLINORQBBT-YADHBBJMSA-N 1 1 459.974 4.318 20 0 JIADMO CCOCCOC1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)CC1 ZINC001355613410 1067528201 /nfs/dbraw/zinc/52/82/01/1067528201.db2.gz VJDZGCWXTITPNF-IXCJQBJRSA-N 1 1 450.623 4.120 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC001300060705 1067560195 /nfs/dbraw/zinc/56/01/95/1067560195.db2.gz PPJJXXGQRQIHRK-ZRCGQRJVSA-N 1 1 471.646 4.086 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](C(F)(F)F)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001492583616 1067561978 /nfs/dbraw/zinc/56/19/78/1067561978.db2.gz PMPIFLKVNXPJID-VXKWHMMOSA-N 1 1 479.591 4.313 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCNc2ccccn2)c(OC)c1 ZINC001300061183 1067562755 /nfs/dbraw/zinc/56/27/55/1067562755.db2.gz BAFIPHSVSJDLRP-UHFFFAOYSA-N 1 1 493.656 4.170 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](C(C)C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001492583637 1067563109 /nfs/dbraw/zinc/56/31/09/1067563109.db2.gz PXWFWWJDBPODNB-SANMLTNESA-N 1 1 466.718 4.323 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCOC(C)(C)C)cc1OC ZINC001300061203 1067563377 /nfs/dbraw/zinc/56/33/77/1067563377.db2.gz BURSIMRDCIKABD-UHFFFAOYSA-N 1 1 459.635 4.088 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC=C(Br)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001492583923 1067567468 /nfs/dbraw/zinc/56/74/68/1067567468.db2.gz YKTRCJCTIWNOKK-JOCHJYFZSA-N 1 1 488.474 4.023 20 0 JIADMO COc1ccc(-c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC001300072110 1067594550 /nfs/dbraw/zinc/59/45/50/1067594550.db2.gz YBPJEDHYBZRBKY-WOJBJXKFSA-N 1 1 498.672 4.178 20 0 JIADMO C[C@H](CCc1ccc(I)cc1)CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC001355868403 1067595107 /nfs/dbraw/zinc/59/51/07/1067595107.db2.gz PVVQWBNYRAXZIB-KPFFTGBYSA-N 1 1 454.396 4.193 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1F ZINC001355883142 1067597773 /nfs/dbraw/zinc/59/77/73/1067597773.db2.gz NCBKIEMKJXINJK-QFIPXVFZSA-N 1 1 452.530 4.277 20 0 JIADMO 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 1067601544 /nfs/dbraw/zinc/60/15/44/1067601544.db2.gz QZLSKHFLJFKKLS-UDCNLSRBSA-N 1 1 454.615 4.136 20 0 JIADMO COc1ccc(-c2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2C[C@H](C)SC)cc1Br ZINC001300075700 1067601797 /nfs/dbraw/zinc/60/17/97/1067601797.db2.gz IMPOUJOOTZZGLL-DOTOQJQBSA-N 1 1 480.476 4.142 20 0 JIADMO COc1ccc(-c2nnc(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CCC=C(C)C)c(OC)c1 ZINC001300075584 1067601883 /nfs/dbraw/zinc/60/18/83/1067601883.db2.gz FSRXPGFDJOPXQU-ZRZAMGCNSA-N 1 1 496.700 4.313 20 0 JIADMO COc1ccc(-c2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2C[C@@H](C)SC)cc1Br ZINC001300075703 1067602429 /nfs/dbraw/zinc/60/24/29/1067602429.db2.gz IMPOUJOOTZZGLL-WBVHZDCISA-N 1 1 480.476 4.142 20 0 JIADMO Cc1nn(C)c(C)c1C(=O)NC1(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CCCC1 ZINC001355899145 1067602470 /nfs/dbraw/zinc/60/24/70/1067602470.db2.gz ZAELJPQGAFINIS-GOSISDBHSA-N 1 1 451.615 4.093 20 0 JIADMO CN(C)c1nc(N2CCOC[C@]3(CCCN(C(=S)Nc4cccc5ccccc54)C3)C2)cc[nH+]1 ZINC001200098639 1067610826 /nfs/dbraw/zinc/61/08/26/1067610826.db2.gz SEFMEMXKCUYNMK-AREMUKBSSA-N 1 1 476.650 4.012 20 0 JIADMO Cc1ccccc1C1=NO[C@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC001356090553 1067656694 /nfs/dbraw/zinc/65/66/94/1067656694.db2.gz GLDJNRAAQDTNQQ-QFIPXVFZSA-N 1 1 456.384 4.031 20 0 JIADMO COc1ccc(C2CCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)CC2)cc1 ZINC001300096934 1067662004 /nfs/dbraw/zinc/66/20/04/1067662004.db2.gz PVKBMDNGEXUJBO-NRFANRHFSA-N 1 1 469.674 4.469 20 0 JIADMO C[C@H](c1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCCOC3=O)cc2)cc1)[NH+]1CCOCC1 ZINC001200120782 1067678128 /nfs/dbraw/zinc/67/81/28/1067678128.db2.gz BRIXRMQWMOUSFQ-RBUKOAKNSA-N 1 1 452.555 4.309 20 0 JIADMO C[C@H](c1ccc(NC(=O)NCc2cccc(COCC(F)(F)F)c2)cc1)[NH+]1CCOCC1 ZINC001200123210 1067688056 /nfs/dbraw/zinc/68/80/56/1067688056.db2.gz YZTPNWNRXAOAPO-QGZVFWFLSA-N 1 1 451.489 4.480 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2CCC(C)C)cc1 ZINC001300118740 1067731908 /nfs/dbraw/zinc/73/19/08/1067731908.db2.gz GBVHWWSPJLMOMQ-ZRZAMGCNSA-N 1 1 483.701 4.444 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)n2CCC(C)(C)O)cc1 ZINC001300119800 1067734845 /nfs/dbraw/zinc/73/48/45/1067734845.db2.gz BUXMLOZEYHZWKT-ISKFKSNPSA-N 1 1 483.701 4.324 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC[C@](C)(OC)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001300120030 1067735291 /nfs/dbraw/zinc/73/52/91/1067735291.db2.gz DIPBKUBRIFMPBV-KCWPFWIISA-N 1 1 469.674 4.198 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)n2CCC(C)(C)O)cc1 ZINC001300119942 1067735414 /nfs/dbraw/zinc/73/54/14/1067735414.db2.gz BUXMLOZEYHZWKT-VWNXMTODSA-N 1 1 483.701 4.324 20 0 JIADMO COc1cnc2ccccc2c1C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC001356379774 1067740830 /nfs/dbraw/zinc/74/08/30/1067740830.db2.gz XIXFVVWSSNOGQM-INIZCTEOSA-N 1 1 450.514 4.448 20 0 JIADMO COc1cnc2ccccc2c1C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC001356379774 1067740839 /nfs/dbraw/zinc/74/08/39/1067740839.db2.gz XIXFVVWSSNOGQM-INIZCTEOSA-N 1 1 450.514 4.448 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCc2c(C)noc2C)cc1 ZINC001300123296 1067743357 /nfs/dbraw/zinc/74/33/57/1067743357.db2.gz RCXGYIPIGGGMKO-UHFFFAOYSA-N 1 1 480.657 4.230 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCOc2ccc(Cl)cn2)cc1 ZINC001300123390 1067743746 /nfs/dbraw/zinc/74/37/46/1067743746.db2.gz SGHCQEHDTDVDSO-UHFFFAOYSA-N 1 1 499.059 4.120 20 0 JIADMO COc1ccc(CCc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC001300124951 1067749194 /nfs/dbraw/zinc/74/91/94/1067749194.db2.gz APGNRTQTGXQUNL-HRFSGMKKSA-N 1 1 469.674 4.196 20 0 JIADMO COc1ccc(CCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001300125908 1067751742 /nfs/dbraw/zinc/75/17/42/1067751742.db2.gz NHJWSBQDNDAYEB-NOZRDPDXSA-N 1 1 469.674 4.054 20 0 JIADMO COc1ccc(CCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001300126272 1067753241 /nfs/dbraw/zinc/75/32/41/1067753241.db2.gz QXSAPUPFTPIPSF-ZCYQVOJMSA-N 1 1 483.701 4.444 20 0 JIADMO COc1ccc(CCc2nnc(N3CCCO[C@@H](C)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300126322 1067753373 /nfs/dbraw/zinc/75/33/73/1067753373.db2.gz LPVYVMQRDHDTFE-ZRBLBEILSA-N 1 1 483.701 4.444 20 0 JIADMO COc1ccc(CCCn2c(C(C)C)nnc2N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1OC ZINC001300132985 1067772020 /nfs/dbraw/zinc/77/20/20/1067772020.db2.gz JSSVUPTXGZVAFS-UHFFFAOYSA-N 1 1 498.716 4.046 20 0 JIADMO CCN(CC)C(=O)c1ccc(C(=O)Nc2cc(C)nn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001357187024 1067816085 /nfs/dbraw/zinc/81/60/85/1067816085.db2.gz FKVJMQAWDUIMFO-XMMPIXPASA-N 1 1 459.594 4.373 20 0 JIADMO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001357203065 1067817954 /nfs/dbraw/zinc/81/79/54/1067817954.db2.gz DVDDFDSVPZSTKK-SFTDATJTSA-N 1 1 455.624 4.363 20 0 JIADMO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001357203065 1067817959 /nfs/dbraw/zinc/81/79/59/1067817959.db2.gz DVDDFDSVPZSTKK-SFTDATJTSA-N 1 1 455.624 4.363 20 0 JIADMO CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001357205502 1067818308 /nfs/dbraw/zinc/81/83/08/1067818308.db2.gz MFSWCMXHMXKFNL-DEOSSOPVSA-N 1 1 457.578 4.165 20 0 JIADMO CCOC(=O)Nc1ccc(F)c(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001357205290 1067818336 /nfs/dbraw/zinc/81/83/36/1067818336.db2.gz JMGJBFVPXBHCQH-LJQANCHMSA-N 1 1 451.502 4.290 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC001300162773 1067818387 /nfs/dbraw/zinc/81/83/87/1067818387.db2.gz SJWMMGBZIBOXLZ-HSZRJFAPSA-N 1 1 450.631 4.357 20 0 JIADMO COc1cccc(C(=O)CCCC(=O)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001300163646 1067820364 /nfs/dbraw/zinc/82/03/64/1067820364.db2.gz YWYKYPOXXALTSD-OYRHEFFESA-N 1 1 452.595 4.316 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1F ZINC001300173619 1067833029 /nfs/dbraw/zinc/83/30/29/1067833029.db2.gz MBKMDRBZSRWUOY-ICSRJNTNSA-N 1 1 459.610 4.077 20 0 JIADMO C[NH+](C)[C@H](C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1)c1cccc(Cl)c1 ZINC001353021459 1067836274 /nfs/dbraw/zinc/83/62/74/1067836274.db2.gz NCHUKBOYWKDGQK-DEOSSOPVSA-N 1 1 450.970 4.073 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC001300179396 1067841760 /nfs/dbraw/zinc/84/17/60/1067841760.db2.gz RUGXITQNMVNYMG-CDNPAEQRSA-N 1 1 455.647 4.324 20 0 JIADMO COc1ccc(CN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC001300181447 1067844216 /nfs/dbraw/zinc/84/42/16/1067844216.db2.gz FNSKKQJYPGESML-HSZRJFAPSA-N 1 1 455.647 4.110 20 0 JIADMO COc1ccc(CN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)C2CC2)cc1 ZINC001300182065 1067844748 /nfs/dbraw/zinc/84/47/48/1067844748.db2.gz MWOJJDVQQMCDBA-HXUWFJFHSA-N 1 1 455.647 4.254 20 0 JIADMO COc1ccc(Cn2c(C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1Br ZINC001300190842 1067853167 /nfs/dbraw/zinc/85/31/67/1067853167.db2.gz YCZTVQPNXLHLJO-FXAWDEMLSA-N 1 1 476.463 4.497 20 0 JIADMO COc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cc1O ZINC001300196960 1067866732 /nfs/dbraw/zinc/86/67/32/1067866732.db2.gz YSBDHNSTNJKQQO-UHFFFAOYSA-N 1 1 485.032 4.313 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)Cc2ccc(Br)s2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001492557460 1067871523 /nfs/dbraw/zinc/87/15/23/1067871523.db2.gz MEITVYRZHCIEMX-KRWDZBQOSA-N 1 1 490.471 4.435 20 0 JIADMO CC[NH+](CC)[C@@H](C(=O)NCC(=O)Nc1cccc2cccnc21)c1cccc(C(F)(F)F)c1 ZINC001357568827 1067871710 /nfs/dbraw/zinc/87/17/10/1067871710.db2.gz FIGHAIBUOLNYKG-JOCHJYFZSA-N 1 1 458.484 4.391 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)Cc2ncnn2CC(F)F)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001492557933 1067874024 /nfs/dbraw/zinc/87/40/24/1067874024.db2.gz BTVWODYMUFLQHQ-GOSISDBHSA-N 1 1 486.615 4.257 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(Br)c3Cl)cc2)C1 ZINC001357644055 1067881731 /nfs/dbraw/zinc/88/17/31/1067881731.db2.gz FRNYWYQFORYPOK-AWEZNQCLSA-N 1 1 450.764 4.052 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001492559436 1067884827 /nfs/dbraw/zinc/88/48/27/1067884827.db2.gz AEGCIJOFHXXIJI-UCKMRUJXSA-N 1 1 469.674 4.394 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001492559436 1067884828 /nfs/dbraw/zinc/88/48/28/1067884828.db2.gz AEGCIJOFHXXIJI-UCKMRUJXSA-N 1 1 469.674 4.394 20 0 JIADMO C[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357779642 1067898581 /nfs/dbraw/zinc/89/85/81/1067898581.db2.gz IBEQGPIOKYYTSA-TUACAJSNSA-N 1 1 451.611 4.322 20 0 JIADMO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cc1 ZINC001357868462 1067925559 /nfs/dbraw/zinc/92/55/59/1067925559.db2.gz VLSUNHKTRIOMLZ-IBGZPJMESA-N 1 1 455.624 4.139 20 0 JIADMO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cc1 ZINC001357868466 1067925841 /nfs/dbraw/zinc/92/58/41/1067925841.db2.gz VLSUNHKTRIOMLZ-LJQANCHMSA-N 1 1 455.624 4.139 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc(C2CCC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001300237704 1067934009 /nfs/dbraw/zinc/93/40/09/1067934009.db2.gz OHKKYMHNPPCIPF-SFHVURJKSA-N 1 1 462.038 4.345 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2ccccn2)n1CCCn1cc[nH+]c1C ZINC001300238225 1067938688 /nfs/dbraw/zinc/93/86/88/1067938688.db2.gz CDJXNPCXYFKMTA-UHFFFAOYSA-N 1 1 465.989 4.158 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001492560448 1067952531 /nfs/dbraw/zinc/95/25/31/1067952531.db2.gz WODNHAHMAUCMLW-MYDTUXCISA-N 1 1 455.647 4.004 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001492560448 1067952554 /nfs/dbraw/zinc/95/25/54/1067952554.db2.gz WODNHAHMAUCMLW-MYDTUXCISA-N 1 1 455.647 4.004 20 0 JIADMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)Nc1cc(Br)ccc1-n1cccn1 ZINC001200287349 1067966376 /nfs/dbraw/zinc/96/63/76/1067966376.db2.gz SRUFGMHXPXTVLL-LJQANCHMSA-N 1 1 454.372 4.421 20 0 JIADMO COc1ccc(OC(F)F)c(Cn2c(C)nnc2N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC001300250852 1068000754 /nfs/dbraw/zinc/00/07/54/1068000754.db2.gz GXHWZRAKJGWPJQ-OAHLLOKOSA-N 1 1 463.554 4.190 20 0 JIADMO CC(C)COC(=O)N1CCC(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001358038611 1068000635 /nfs/dbraw/zinc/00/06/35/1068000635.db2.gz JDWPIUURNOMROI-RXVVDRJESA-N 1 1 453.986 4.093 20 0 JIADMO COc1ccc(OC(F)F)c(Cn2c(C)nnc2N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC001300250851 1068000855 /nfs/dbraw/zinc/00/08/55/1068000855.db2.gz GXHWZRAKJGWPJQ-HNNXBMFYSA-N 1 1 463.554 4.190 20 0 JIADMO CC(C)(C)Oc1cccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)n1 ZINC001358118121 1068023247 /nfs/dbraw/zinc/02/32/47/1068023247.db2.gz KDRHJIPXZZREBY-NHCUHLMSSA-N 1 1 450.608 4.247 20 0 JIADMO 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 1068024222 /nfs/dbraw/zinc/02/42/22/1068024222.db2.gz QBZFXKQNZXFHTD-QYBDOPJKSA-N 1 1 454.615 4.124 20 0 JIADMO COCCc1ccc(Oc2ccc(NC(=O)N3CC[N@H+](C4CCOCC4)C[C@H]3C)cc2)cc1 ZINC001200304403 1068026338 /nfs/dbraw/zinc/02/63/38/1068026338.db2.gz CIGKIKNUQIWBNN-HXUWFJFHSA-N 1 1 453.583 4.385 20 0 JIADMO Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)cnn1-c1cc[nH+]cc1 ZINC001358134192 1068027934 /nfs/dbraw/zinc/02/79/34/1068027934.db2.gz ITKXWLURRADRBG-GJZGRUSLSA-N 1 1 459.472 4.460 20 0 JIADMO COc1ccc(OCc2nnc(N(C)Cc3ccon3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300263748 1068030428 /nfs/dbraw/zinc/03/04/28/1068030428.db2.gz OFROCNFNMNJCEM-BGYRXZFFSA-N 1 1 482.629 4.247 20 0 JIADMO CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)c1 ZINC001358170976 1068035893 /nfs/dbraw/zinc/03/58/93/1068035893.db2.gz QFQAXFYHESDRJQ-YKSBVNFPSA-N 1 1 457.640 4.206 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC(CC(F)(F)F)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001492563492 1068040493 /nfs/dbraw/zinc/04/04/93/1068040493.db2.gz CMRAUWHPYDDLGL-SFHVURJKSA-N 1 1 451.537 4.143 20 0 JIADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC001358215061 1068045492 /nfs/dbraw/zinc/04/54/92/1068045492.db2.gz LSYMPOOMDOYWCB-GZGNHOFSSA-N 1 1 459.556 4.077 20 0 JIADMO COCCc1ccc(Oc2ccc(NC(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc2)cc1 ZINC001200314899 1068054476 /nfs/dbraw/zinc/05/44/76/1068054476.db2.gz OAAIBZOSJOIICZ-DQEYMECFSA-N 1 1 453.583 4.433 20 0 JIADMO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](C[C@@](C)(O)c3ccc(Br)cc3F)C2)C1 ZINC001473360430 1068059677 /nfs/dbraw/zinc/05/96/77/1068059677.db2.gz OWOOQLOZOXIASH-NHCUHLMSSA-N 1 1 457.384 4.129 20 0 JIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cc(-c2cccc(Br)c2)no1 ZINC001358293667 1068062269 /nfs/dbraw/zinc/06/22/69/1068062269.db2.gz LVXKVMNMPRKHQP-UHFFFAOYSA-N 1 1 456.340 4.231 20 0 JIADMO CN1CC[NH+](CCCOc2ccc(NC(=O)CCC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC001300279277 1068067435 /nfs/dbraw/zinc/06/74/35/1068067435.db2.gz GOWUZJJTVGIYDD-UHFFFAOYSA-N 1 1 459.590 4.458 20 0 JIADMO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC001473366398 1068072205 /nfs/dbraw/zinc/07/22/05/1068072205.db2.gz SPJGKRLZHBYVGM-QUCCMNQESA-N 1 1 457.640 4.411 20 0 JIADMO COc1ccc(OCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2(SC)CCC2)cc1 ZINC001300291450 1068096839 /nfs/dbraw/zinc/09/68/39/1068096839.db2.gz OEWQPEYDISBFBR-UHFFFAOYSA-N 1 1 459.660 4.072 20 0 JIADMO CCN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001358471230 1068098681 /nfs/dbraw/zinc/09/86/81/1068098681.db2.gz YNWWWSJXYQCOLE-LJQANCHMSA-N 1 1 455.352 4.292 20 0 JIADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001358489458 1068113215 /nfs/dbraw/zinc/11/32/15/1068113215.db2.gz YFKSXRBBPNHWCB-PMACEKPBSA-N 1 1 450.023 4.456 20 0 JIADMO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001358489458 1068113265 /nfs/dbraw/zinc/11/32/65/1068113265.db2.gz YFKSXRBBPNHWCB-PMACEKPBSA-N 1 1 450.023 4.456 20 0 JIADMO COCCOC(=O)Nc1cccc(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)c1 ZINC001358491594 1068119312 /nfs/dbraw/zinc/11/93/12/1068119312.db2.gz MCMDWTIFUIRJCN-LJQANCHMSA-N 1 1 455.555 4.387 20 0 JIADMO CC(C)[C@@H](CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)[NH+]1CCC(C)CC1 ZINC001353501577 1068223086 /nfs/dbraw/zinc/22/30/86/1068223086.db2.gz OGYMGFDESAICAD-OAQYLSRUSA-N 1 1 455.064 4.299 20 0 JIADMO CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CC[NH+](Cc3ccn(-c4ccccc4F)n3)CC2)C1 ZINC001473552671 1068245649 /nfs/dbraw/zinc/24/56/49/1068245649.db2.gz XHZWPBCQANPXPF-CVDCTZTESA-N 1 1 458.578 4.296 20 0 JIADMO COc1cc(NC(=O)CC[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c(OC)cc1Cl ZINC001473606561 1068268557 /nfs/dbraw/zinc/26/85/57/1068268557.db2.gz PZZCYOICLHEULD-LSDHHAIUSA-N 1 1 455.983 4.063 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C(C)(C)C)n3CC3(OC)CCCC3)CC2)c1 ZINC001300333696 1068292565 /nfs/dbraw/zinc/29/25/65/1068292565.db2.gz WXTCFTUGMDTDBU-FQEVSTJZSA-N 1 1 455.647 4.427 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc([C@H]4CCCO4)n3C[C@](C)(O)CCC(C)C)CC2)c1 ZINC001300335249 1068306032 /nfs/dbraw/zinc/30/60/32/1068306032.db2.gz OVHJTBFIYPSPCT-GNMGOMLTSA-N 1 1 485.673 4.209 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(OC)nc3)CC2)c1 ZINC001300335298 1068306269 /nfs/dbraw/zinc/30/62/69/1068306269.db2.gz PKPQLMOKTBXOMD-FQEVSTJZSA-N 1 1 478.641 4.210 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(Cc4ccsc4)n3C[C@](C)(O)C(C)C)CC2)c1 ZINC001300335647 1068308265 /nfs/dbraw/zinc/30/82/65/1068308265.db2.gz VDPDNGABSCFFMS-IBVKSMDESA-N 1 1 483.682 4.229 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC4CC4)n3CC[C@H](OC)C(F)(F)F)CC2)c1 ZINC001300336038 1068310388 /nfs/dbraw/zinc/31/03/88/1068310388.db2.gz YDRFAIXSXJMUBG-UWJYYQICSA-N 1 1 481.563 4.090 20 0 JIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC001353547055 1068312945 /nfs/dbraw/zinc/31/29/45/1068312945.db2.gz MZXSASLHPLYZJM-INIZCTEOSA-N 1 1 458.400 4.250 20 0 JIADMO O=C(Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)c1ccn(CC(F)(F)F)n1 ZINC001353561394 1068324392 /nfs/dbraw/zinc/32/43/92/1068324392.db2.gz WQIHJNRXXHHKAM-UHFFFAOYSA-N 1 1 457.500 4.016 20 0 JIADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001545693938 1068337614 /nfs/dbraw/zinc/33/76/14/1068337614.db2.gz GZUPDKPAQCGILM-ZDXQCDESSA-N 1 1 489.668 4.134 20 0 JIADMO COc1cccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)c1 ZINC001300344467 1068338025 /nfs/dbraw/zinc/33/80/25/1068338025.db2.gz GXXUDWDCXWLUTM-UKILVPOCSA-N 1 1 499.700 4.200 20 0 JIADMO O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522313912 1068339467 /nfs/dbraw/zinc/33/94/67/1068339467.db2.gz UWARCJGDIBPUFO-OAHLLOKOSA-N 1 1 458.335 4.224 20 0 JIADMO CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)cc2C1 ZINC001200384096 1068341208 /nfs/dbraw/zinc/34/12/08/1068341208.db2.gz NUUCNFUPTPYYPS-HSZRJFAPSA-N 1 1 450.583 4.376 20 0 JIADMO COc1cccc(-c2nnc(N(C)Cc3cc(C)on3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001300350865 1068361493 /nfs/dbraw/zinc/36/14/93/1068361493.db2.gz ONEJPFPDNUNXGE-KDURUIRLSA-N 1 1 452.603 4.255 20 0 JIADMO COc1cccc(-c2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001300350956 1068361924 /nfs/dbraw/zinc/36/19/24/1068361924.db2.gz SEKZNCYLXMUFQY-HXUWFJFHSA-N 1 1 463.630 4.235 20 0 JIADMO COc1cccc(-c2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001300377427 1068455626 /nfs/dbraw/zinc/45/56/26/1068455626.db2.gz UWUXHPGGYBTGMS-HSZRJFAPSA-N 1 1 455.647 4.327 20 0 JIADMO CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001353707123 1068489325 /nfs/dbraw/zinc/48/93/25/1068489325.db2.gz WNYUWKCMQGTWJM-FCHUYYIVSA-N 1 1 478.543 4.063 20 0 JIADMO COc1cccc(-c2nnc(N3CCO[C@H](COC(C)C)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001300395757 1068532491 /nfs/dbraw/zinc/53/24/91/1068532491.db2.gz SWLVKMGUGJWREU-QPPBQGQZSA-N 1 1 485.673 4.094 20 0 JIADMO COc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCCC2)c1 ZINC001300397249 1068537362 /nfs/dbraw/zinc/53/73/62/1068537362.db2.gz BGKZFPGTMWDZBL-NRFANRHFSA-N 1 1 498.672 4.322 20 0 JIADMO COc1cccc([C@H]2C[C@@H](C)CN2c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001300403778 1068562474 /nfs/dbraw/zinc/56/24/74/1068562474.db2.gz TVSKMKXSCGZHPJ-NFBKMPQASA-N 1 1 482.673 4.134 20 0 JIADMO COc1cccc([C@@H]2C[C@@H](C)CN2c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001300403780 1068562619 /nfs/dbraw/zinc/56/26/19/1068562619.db2.gz TVSKMKXSCGZHPJ-OFNKIYASSA-N 1 1 482.673 4.134 20 0 JIADMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1nc(Br)ccc1Br ZINC001353775464 1068572438 /nfs/dbraw/zinc/57/24/38/1068572438.db2.gz ZYYOPHZZVGATSV-CQSZACIVSA-N 1 1 453.178 4.001 20 0 JIADMO COc1cccc(CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001300420700 1068633580 /nfs/dbraw/zinc/63/35/80/1068633580.db2.gz HNULRJCZUCTTBP-OALUTQOASA-N 1 1 468.671 4.399 20 0 JIADMO 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 1068664423 /nfs/dbraw/zinc/66/44/23/1068664423.db2.gz VQHOZGVRWNVDLB-ILWGZMRPSA-N 1 1 498.672 4.178 20 0 JIADMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H](NC(=O)OCc2ccccc2)C(C)(C)C)C1 ZINC001300434354 1068691274 /nfs/dbraw/zinc/69/12/74/1068691274.db2.gz KKIGFWRWECAKJS-RPWUZVMVSA-N 1 1 451.611 4.103 20 0 JIADMO COc1cccc(N2CCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001300442758 1068724537 /nfs/dbraw/zinc/72/45/37/1068724537.db2.gz QFFCAHOZRKBPNC-QFIPXVFZSA-N 1 1 468.690 4.423 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC2CCCCC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001300471435 1068813379 /nfs/dbraw/zinc/81/33/79/1068813379.db2.gz ZBCJUAXXEFWGLU-UHFFFAOYSA-N 1 1 468.690 4.244 20 0 JIADMO O=C(c1c(C(F)F)nc2cnccn21)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001353992108 1068822040 /nfs/dbraw/zinc/82/20/40/1068822040.db2.gz LJYNPGKJYXNWKC-UHFFFAOYSA-N 1 1 453.415 4.034 20 0 JIADMO O=C(c1c(C(F)F)nc2cnccn21)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001353992108 1068822044 /nfs/dbraw/zinc/82/20/44/1068822044.db2.gz LJYNPGKJYXNWKC-UHFFFAOYSA-N 1 1 453.415 4.034 20 0 JIADMO COc1ccccc1-c1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300480366 1068832986 /nfs/dbraw/zinc/83/29/86/1068832986.db2.gz ZEUBJDBKWRGOSJ-PMACEKPBSA-N 1 1 455.647 4.468 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300481114 1068835228 /nfs/dbraw/zinc/83/52/28/1068835228.db2.gz LRWBGBUICVNQSZ-AWRGLXIESA-N 1 1 455.647 4.183 20 0 JIADMO COc1cc(NC(=S)N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c(OC)cc1Cl ZINC001200534198 1068842195 /nfs/dbraw/zinc/84/21/95/1068842195.db2.gz AMWXNIFXLBXWHY-LQWHRVPQSA-N 1 1 490.073 4.126 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 ZINC001354028932 1068842783 /nfs/dbraw/zinc/84/27/83/1068842783.db2.gz FAJVPAOMPCQDGU-AWEZNQCLSA-N 1 1 458.440 4.342 20 0 JIADMO COc1cc(NC(=S)N2CC[N@H+]3C[C@@H](Oc4ccc(C)cc4)C[C@@H]3C2)c(OC)cc1Cl ZINC001200535126 1068845849 /nfs/dbraw/zinc/84/58/49/1068845849.db2.gz IKAVBGONBFWKMM-AEFFLSMTSA-N 1 1 462.015 4.200 20 0 JIADMO COc1cc(NC(=S)N2CC[NH+](C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c(OC)cc1Cl ZINC001200535095 1068845940 /nfs/dbraw/zinc/84/59/40/1068845940.db2.gz HARZIORPTHIBBJ-UHFFFAOYSA-N 1 1 499.077 4.071 20 0 JIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(I)cc3F)CC2)cs1 ZINC001300492496 1068858647 /nfs/dbraw/zinc/85/86/47/1068858647.db2.gz NWARTCNEEOOUMD-UHFFFAOYSA-N 1 1 459.328 4.046 20 0 JIADMO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300513769 1068894932 /nfs/dbraw/zinc/89/49/32/1068894932.db2.gz PXLWVNFCQFHRFX-XUVXKRRUSA-N 1 1 494.606 4.147 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCSC(C)C ZINC001300513778 1068894941 /nfs/dbraw/zinc/89/49/41/1068894941.db2.gz QBOPKXQXKNYRRI-UHFFFAOYSA-N 1 1 457.669 4.479 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300519224 1068905934 /nfs/dbraw/zinc/90/59/34/1068905934.db2.gz AJIGXQNYGNGFOJ-ACRUOGEOSA-N 1 1 498.672 4.178 20 0 JIADMO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001300526158 1068929013 /nfs/dbraw/zinc/92/90/13/1068929013.db2.gz YRRIRZRDZKTLQE-LJQANCHMSA-N 1 1 499.059 4.180 20 0 JIADMO COc1ccccc1C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCOCC1(C)C ZINC001300526158 1068929014 /nfs/dbraw/zinc/92/90/14/1068929014.db2.gz YRRIRZRDZKTLQE-LJQANCHMSA-N 1 1 499.059 4.180 20 0 JIADMO COc1ccccc1C[C@H](C)N(C)c1nnc(CC(C)(C)C)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300528866 1068935693 /nfs/dbraw/zinc/93/56/93/1068935693.db2.gz HNZDFQQDSSHFSW-GMAHTHKFSA-N 1 1 471.690 4.300 20 0 JIADMO 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CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(COCc3ccccc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849496758 1069068602 /nfs/dbraw/zinc/06/86/02/1069068602.db2.gz BRWUQWUIIXVECL-RRPNLBNLSA-N 1 1 460.622 4.267 20 0 JIADMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC001300569091 1069069900 /nfs/dbraw/zinc/06/99/00/1069069900.db2.gz DPDOCSKKQBQKLA-QFIPXVFZSA-N 1 1 455.480 4.264 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)cn1 ZINC000849498871 1069070409 /nfs/dbraw/zinc/07/04/09/1069070409.db2.gz BJJMYYZKHCJINN-KMDXXIMOSA-N 1 1 498.096 4.086 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849499736 1069071407 /nfs/dbraw/zinc/07/14/07/1069071407.db2.gz FHPQFHKEAZUCEZ-ARNLJNQMSA-N 1 1 464.585 4.310 20 0 JIADMO Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cn2)c1 ZINC000849502300 1069073797 /nfs/dbraw/zinc/07/37/97/1069073797.db2.gz ZPSDVIKKWHWUBF-ZEQRLZLVSA-N 1 1 461.610 4.355 20 0 JIADMO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849502143 1069074633 /nfs/dbraw/zinc/07/46/33/1069074633.db2.gz PCHMYRKQIAZVQY-ZEQRLZLVSA-N 1 1 459.594 4.433 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(I)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849502401 1069074901 /nfs/dbraw/zinc/07/49/01/1069074901.db2.gz ZZIQJBLDOMCOKC-CVEARBPZSA-N 1 1 486.785 4.131 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849502244 1069075624 /nfs/dbraw/zinc/07/56/24/1069075624.db2.gz ZKMWKBSYRKGVFA-JKSUJKDBSA-N 1 1 458.456 4.076 20 0 JIADMO COc1cc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1NC(=O)OC(C)(C)C ZINC000849502769 1069076744 /nfs/dbraw/zinc/07/67/44/1069076744.db2.gz SHDGIVIOUCSEIE-PMACEKPBSA-N 1 1 471.602 4.228 20 0 JIADMO Cc1ccccc1[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)C(C)C)CCO1 ZINC001492574551 1069081169 /nfs/dbraw/zinc/08/11/69/1069081169.db2.gz VEQSHOTXQQXACU-OAQYLSRUSA-N 1 1 487.446 4.262 20 0 JIADMO Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849504893 1069083540 /nfs/dbraw/zinc/08/35/40/1069083540.db2.gz GEZKOODYCWDACR-XZOQPEGZSA-N 1 1 459.594 4.433 20 0 JIADMO CCCN(CCC)C(=O)c1ccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849503730 1069083568 /nfs/dbraw/zinc/08/35/68/1069083568.db2.gz KNDWKSIHHJCSHV-ZEQRLZLVSA-N 1 1 453.631 4.135 20 0 JIADMO CCCN1CCN(c2ccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2Cl)CC1 ZINC000849505592 1069087091 /nfs/dbraw/zinc/08/70/91/1069087091.db2.gz IIQDYUISKRRMRR-PKTZIBPZSA-N 1 1 487.092 4.058 20 0 JIADMO CCCN1CCN(c2ccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2Cl)CC1 ZINC000849505592 1069087102 /nfs/dbraw/zinc/08/71/02/1069087102.db2.gz IIQDYUISKRRMRR-PKTZIBPZSA-N 1 1 487.092 4.058 20 0 JIADMO 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 1069089756 /nfs/dbraw/zinc/08/97/56/1069089756.db2.gz UUFJNFKVBHCVES-VXKWHMMOSA-N 1 1 466.605 4.495 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cn1 ZINC000849507594 1069089950 /nfs/dbraw/zinc/08/99/50/1069089950.db2.gz DKFNFFACMVZZBJ-FGZHOGPDSA-N 1 1 466.973 4.392 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cn1 ZINC000849508635 1069090750 /nfs/dbraw/zinc/09/07/50/1069090750.db2.gz AHPGOSVECDCTTK-TZIWHRDSSA-N 1 1 485.510 4.365 20 0 JIADMO CC(C)N(Cc1cccc(Br)c1)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849509368 1069090854 /nfs/dbraw/zinc/09/08/54/1069090854.db2.gz LYQNARJVXPGXLS-FCHUYYIVSA-N 1 1 461.448 4.434 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC2(c3cccc(Br)c3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849510561 1069095429 /nfs/dbraw/zinc/09/54/29/1069095429.db2.gz RWTQRHJGLPUERD-LEWJYISDSA-N 1 1 459.432 4.192 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](c2nc3ccccc3n2C)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849511575 1069096155 /nfs/dbraw/zinc/09/61/55/1069096155.db2.gz ZVYNJUJLDKTRDA-JCYRPKCISA-N 1 1 470.621 4.027 20 0 JIADMO 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 1069097219 /nfs/dbraw/zinc/09/72/19/1069097219.db2.gz OEYUYJSMPJODLH-YSZBQJHXSA-N 1 1 480.575 4.489 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849513478 1069098197 /nfs/dbraw/zinc/09/81/97/1069098197.db2.gz SNPADWHJEVLGKQ-CLJLJLNGSA-N 1 1 458.606 4.152 20 0 JIADMO 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 1069098685 /nfs/dbraw/zinc/09/86/85/1069098685.db2.gz DWJZAPMFYFQYMT-IPJJNNNSSA-N 1 1 465.425 4.141 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849516357 1069100679 /nfs/dbraw/zinc/10/06/79/1069100679.db2.gz KATNRGISYSDGMY-QZTJIDSGSA-N 1 1 475.424 4.424 20 0 JIADMO 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 1069101684 /nfs/dbraw/zinc/10/16/84/1069101684.db2.gz NCJCBAMMQQEKDD-OIBXWCBGSA-N 1 1 497.043 4.344 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849516998 1069103467 /nfs/dbraw/zinc/10/34/67/1069103467.db2.gz RRWCNQOIHWWNMU-LOSJGSFVSA-N 1 1 474.609 4.194 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cn1 ZINC000849516690 1069104428 /nfs/dbraw/zinc/10/44/28/1069104428.db2.gz ABPCVSXYEXCAQT-FGZHOGPDSA-N 1 1 485.510 4.365 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849518311 1069105351 /nfs/dbraw/zinc/10/53/51/1069105351.db2.gz NNOLDPJDCAHJPR-IRLDBZIGSA-N 1 1 472.033 4.152 20 0 JIADMO Cc1ccsc1C(=O)Nc1ccc(OC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849518869 1069108798 /nfs/dbraw/zinc/10/87/98/1069108798.db2.gz HQVVSAHYEMJVSI-FCHUYYIVSA-N 1 1 466.607 4.462 20 0 JIADMO 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 1069110895 /nfs/dbraw/zinc/11/08/95/1069110895.db2.gz JUOKYSJPQNSOQC-ZWKOTPCHSA-N 1 1 499.965 4.003 20 0 JIADMO COc1cccc(Cn2c3ccccc3nc2NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849522083 1069115270 /nfs/dbraw/zinc/11/52/70/1069115270.db2.gz WZGICGUOHRKWKB-DNQXCXABSA-N 1 1 486.620 4.279 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cn1 ZINC000849521817 1069115947 /nfs/dbraw/zinc/11/59/47/1069115947.db2.gz VHYKHDOOADURSZ-SFTDATJTSA-N 1 1 464.532 4.325 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849527071 1069124498 /nfs/dbraw/zinc/12/44/98/1069124498.db2.gz UGSPAELEKOEOFM-FGZHOGPDSA-N 1 1 481.000 4.173 20 0 JIADMO CC(C)Cn1cc([C@H]2N(C(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)CC23CCOCC3)cn1 ZINC000849533359 1069139960 /nfs/dbraw/zinc/13/99/60/1069139960.db2.gz BCIAIQWQYPSJAY-JWQCQUIFSA-N 1 1 450.627 4.274 20 0 JIADMO 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 1069142805 /nfs/dbraw/zinc/14/28/05/1069142805.db2.gz BVAWJYMZSCXFJA-AYFYORAVSA-N 1 1 463.666 4.215 20 0 JIADMO COc1cccc(Cc2nnc(NC(=O)NCc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)s2)c1 ZINC000504228135 1069145882 /nfs/dbraw/zinc/14/58/82/1069145882.db2.gz LXYIQRMWSCPNIJ-HDICACEKSA-N 1 1 481.622 4.068 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC23CCOCC3)cn1 ZINC000849534677 1069151543 /nfs/dbraw/zinc/15/15/43/1069151543.db2.gz LPSVKZRKFGISPU-NOZRDPDXSA-N 1 1 450.627 4.131 20 0 JIADMO COc1ccccc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001300591245 1069154915 /nfs/dbraw/zinc/15/49/15/1069154915.db2.gz JYZFGEOMDRNPMC-WXVAWEFUSA-N 1 1 485.673 4.084 20 0 JIADMO COc1ccccc1CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001300591805 1069157722 /nfs/dbraw/zinc/15/77/22/1069157722.db2.gz MFQOOQIFNFBFGV-QGZVFWFLSA-N 1 1 487.446 4.413 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(C)CCOc2ccc(OCc3ccccc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849546626 1069185837 /nfs/dbraw/zinc/18/58/37/1069185837.db2.gz CQGLJBPGDHSDAV-VSGBNLITSA-N 1 1 490.648 4.350 20 0 JIADMO CC(C)OC(=O)c1c2c(sc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)CCCC2 ZINC000849549244 1069186974 /nfs/dbraw/zinc/18/69/74/1069186974.db2.gz RLKVZSXEVFKANC-QUCCMNQESA-N 1 1 472.655 4.378 20 0 JIADMO CC(C)OC(=O)c1c2c(sc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)CCCC2 ZINC000849549242 1069187089 /nfs/dbraw/zinc/18/70/89/1069187089.db2.gz RLKVZSXEVFKANC-AZUAARDMSA-N 1 1 472.655 4.378 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849548815 1069188312 /nfs/dbraw/zinc/18/83/12/1069188312.db2.gz OPXZXNMGGLVKCO-JWQCQUIFSA-N 1 1 496.633 4.069 20 0 JIADMO COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849552374 1069192464 /nfs/dbraw/zinc/19/24/64/1069192464.db2.gz FBNRWLWOUPOLPU-IFMALSPDSA-N 1 1 482.968 4.326 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccccc2Cl)c2cc(F)ccc2F)cn1 ZINC000849551694 1069194663 /nfs/dbraw/zinc/19/46/63/1069194663.db2.gz BLMRIVCPHQNOIS-XTQVGHSUSA-N 1 1 458.940 4.293 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC2(c3cccc(Br)c3)CCCCC2)cn1 ZINC000849554018 1069198414 /nfs/dbraw/zinc/19/84/14/1069198414.db2.gz LFHBPTNJBBMLMA-VXKWHMMOSA-N 1 1 473.459 4.236 20 0 JIADMO 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 1069198585 /nfs/dbraw/zinc/19/85/85/1069198585.db2.gz KAKLPNOLMXOBFC-YADHBBJMSA-N 1 1 456.587 4.211 20 0 JIADMO COc1ccc(-n2c3ccccc3nc2NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849555728 1069201995 /nfs/dbraw/zinc/20/19/95/1069201995.db2.gz SMHYFTCMETXHPC-PKTZIBPZSA-N 1 1 472.593 4.220 20 0 JIADMO CN(C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000849556207 1069202491 /nfs/dbraw/zinc/20/24/91/1069202491.db2.gz AZKJAIMCOOTSHZ-VXNXHJTFSA-N 1 1 454.977 4.496 20 0 JIADMO 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 1069204326 /nfs/dbraw/zinc/20/43/26/1069204326.db2.gz MXLSAHNLJSTTHZ-RZFJZAQRSA-N 1 1 499.659 4.450 20 0 JIADMO Cc1ccc(NC(=O)C2(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)CCCC2)cc1C ZINC000849557738 1069205380 /nfs/dbraw/zinc/20/53/80/1069205380.db2.gz ITFVXJZEFGEYNT-RPBOFIJWSA-N 1 1 479.669 4.166 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849565457 1069214090 /nfs/dbraw/zinc/21/40/90/1069214090.db2.gz TWNJILGXYHBJBQ-SVBPBHIXSA-N 1 1 457.622 4.487 20 0 JIADMO CCCN(C(=O)c1ccccc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849565283 1069215239 /nfs/dbraw/zinc/21/52/39/1069215239.db2.gz SRHLYRBXLBIAHO-FYYLOGMGSA-N 1 1 453.631 4.133 20 0 JIADMO 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 1069215277 /nfs/dbraw/zinc/21/52/77/1069215277.db2.gz QJEZJUATRATDKE-NJAFHUGGSA-N 1 1 469.577 4.116 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC(Cc2ccccc2F)Cc2ccccc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849565349 1069215354 /nfs/dbraw/zinc/21/53/54/1069215354.db2.gz SVWJTXSHKZUQDB-JWQCQUIFSA-N 1 1 480.603 4.482 20 0 JIADMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000849566048 1069217257 /nfs/dbraw/zinc/21/72/57/1069217257.db2.gz YFCRTDFYOSFIHB-GDIGMMSISA-N 1 1 488.455 4.219 20 0 JIADMO Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849571371 1069222271 /nfs/dbraw/zinc/22/22/71/1069222271.db2.gz IEXGVCSDSHZVOL-LADGPHEKSA-N 1 1 495.668 4.326 20 0 JIADMO CCn1c2cc(Br)ccc2nc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849572038 1069223722 /nfs/dbraw/zinc/22/37/22/1069223722.db2.gz MTKJTAHKJSXJGB-QZTJIDSGSA-N 1 1 473.419 4.005 20 0 JIADMO 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 1069223751 /nfs/dbraw/zinc/22/37/51/1069223751.db2.gz OCSGDZKLMYCVCK-JKSUJKDBSA-N 1 1 484.473 4.403 20 0 JIADMO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)[C@@H](c2cnn(C)c2)C1 ZINC000849572331 1069223758 /nfs/dbraw/zinc/22/37/58/1069223758.db2.gz OCSGDZKLMYCVCK-JKSUJKDBSA-N 1 1 484.473 4.403 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)[C@@H](c2cnn(C)c2)C1 ZINC000849572331 1069223769 /nfs/dbraw/zinc/22/37/69/1069223769.db2.gz OCSGDZKLMYCVCK-JKSUJKDBSA-N 1 1 484.473 4.403 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCCCc3cc(Br)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849574290 1069225369 /nfs/dbraw/zinc/22/53/69/1069225369.db2.gz XGNLITXCBOALIU-SFTDATJTSA-N 1 1 459.432 4.366 20 0 JIADMO COCCOc1ccc(CC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001354446097 1069226796 /nfs/dbraw/zinc/22/67/96/1069226796.db2.gz PONXSXMSVNFABI-DEOSSOPVSA-N 1 1 450.604 4.232 20 0 JIADMO COCCOc1ccc(CC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC001354446097 1069226808 /nfs/dbraw/zinc/22/68/08/1069226808.db2.gz PONXSXMSVNFABI-DEOSSOPVSA-N 1 1 450.604 4.232 20 0 JIADMO 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 1069228979 /nfs/dbraw/zinc/22/89/79/1069228979.db2.gz LKMFFSDJZNHTCW-NJYVYQBISA-N 1 1 465.411 4.403 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)[C@H](c2cnn(C)c2)C1 ZINC000849576008 1069229151 /nfs/dbraw/zinc/22/91/51/1069229151.db2.gz BXGLHRQDGNDYOT-FDFHNCONSA-N 1 1 477.422 4.499 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(c3ccccc3Br)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849581330 1069231831 /nfs/dbraw/zinc/23/18/31/1069231831.db2.gz GOVVRPIJJBAXGX-FGZHOGPDSA-N 1 1 473.459 4.403 20 0 JIADMO 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 ZINC000849580645 1069232408 /nfs/dbraw/zinc/23/24/08/1069232408.db2.gz CDMJTLPFIOROHK-FRQCXROJSA-N 1 1 460.903 4.446 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCc3cc(Br)c(Cl)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849582179 1069233304 /nfs/dbraw/zinc/23/33/04/1069233304.db2.gz LORFNBYNPHVOTK-DLBZAZTESA-N 1 1 465.823 4.239 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)[C@H](c2cnn(C)c2)C1 ZINC000849583085 1069233753 /nfs/dbraw/zinc/23/37/53/1069233753.db2.gz RKFKMVATNWZABY-HKBOAZHASA-N 1 1 478.468 4.326 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)[C@H](c2cnn(C)c2)C1 ZINC000849583117 1069233962 /nfs/dbraw/zinc/23/39/62/1069233962.db2.gz RJCWTSLDKJLLOU-BDTNDASRSA-N 1 1 464.639 4.192 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(C)Cc2ccc(Br)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849583346 1069234153 /nfs/dbraw/zinc/23/41/53/1069234153.db2.gz SUSIWWWZBZKNCB-RTBURBONSA-N 1 1 467.839 4.309 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2cccc(Br)c2)CC2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849583821 1069234873 /nfs/dbraw/zinc/23/48/73/1069234873.db2.gz VHUTZIBBTQRZME-DHIUTWEWSA-N 1 1 473.459 4.435 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC(C)(C)c2ccc(OC(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849584158 1069234923 /nfs/dbraw/zinc/23/49/23/1069234923.db2.gz XKVMULRZYCDBSH-UXHICEINSA-N 1 1 452.521 4.184 20 0 JIADMO Cc1ccc(CN(Cc2ccco2)C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c(Br)c1 ZINC000849588027 1069238764 /nfs/dbraw/zinc/23/87/64/1069238764.db2.gz ONPWPXMXNNQYIL-FCHUYYIVSA-N 1 1 485.426 4.348 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)[C@@H](c2cnn(C)c2)C1 ZINC000849588000 1069239126 /nfs/dbraw/zinc/23/91/26/1069239126.db2.gz KIRZODHFNVEGOQ-RTBURBONSA-N 1 1 455.509 4.338 20 0 JIADMO Cc1sc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000849588412 1069239568 /nfs/dbraw/zinc/23/95/68/1069239568.db2.gz XIKKZCRDVUEDGV-RTWAWAEBSA-N 1 1 492.649 4.189 20 0 JIADMO COCCC[C@H](CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849591425 1069242341 /nfs/dbraw/zinc/24/23/41/1069242341.db2.gz IRBIPMMZIIHQGW-HUVFLSCGSA-N 1 1 461.050 4.214 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)[C@H](c2cnn(C)c2)C1 ZINC000849594155 1069246562 /nfs/dbraw/zinc/24/65/62/1069246562.db2.gz CWTIEFQXNAYINT-PMACEKPBSA-N 1 1 485.430 4.036 20 0 JIADMO Cc1cc(C(C)(C)NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1Br ZINC000849595103 1069246936 /nfs/dbraw/zinc/24/69/36/1069246936.db2.gz IOBPDBVGLJYKHL-PMACEKPBSA-N 1 1 461.448 4.356 20 0 JIADMO COc1ccc([C@H](Cc2ccccc2)NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849597516 1069251747 /nfs/dbraw/zinc/25/17/47/1069251747.db2.gz TXXFKBOKYYERER-QKDODKLFSA-N 1 1 460.622 4.343 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3s2)cn1 ZINC000849599328 1069255490 /nfs/dbraw/zinc/25/54/90/1069255490.db2.gz AQMIZPQUGZXAIF-QZNHQXDQSA-N 1 1 459.619 4.165 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)[C@@H](c2cnn(C)c2)C1 ZINC000849600758 1069257472 /nfs/dbraw/zinc/25/74/72/1069257472.db2.gz GDBBUUVNIFZGCV-ZWKOTPCHSA-N 1 1 460.504 4.077 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(COc3ccc(F)cc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849606431 1069262301 /nfs/dbraw/zinc/26/23/01/1069262301.db2.gz PPKPUTDRZCOLHA-CLJLJLNGSA-N 1 1 464.585 4.269 20 0 JIADMO 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 ZINC000849606236 1069262506 /nfs/dbraw/zinc/26/25/06/1069262506.db2.gz NFKCOJNNCHNXPI-GOTSBHOMSA-N 1 1 469.630 4.206 20 0 JIADMO 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 ZINC000849609960 1069267493 /nfs/dbraw/zinc/26/74/93/1069267493.db2.gz FVGAKMSOSVKBJT-CAUSLRQDSA-N 1 1 489.705 4.166 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H]2CSCc3ccc(Br)cc32)[C@H](c2cnn(C)c2)C1 ZINC000849611088 1069269184 /nfs/dbraw/zinc/26/91/84/1069269184.db2.gz SYIJIVNYPDAUGF-SESVDKBCSA-N 1 1 477.472 4.101 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(-c3ccccc3Br)no2)[C@@H](c2cnn(C)c2)C1 ZINC000849612256 1069272035 /nfs/dbraw/zinc/27/20/35/1069272035.db2.gz JIMQJJMOFXVMSD-FUHWJXTLSA-N 1 1 472.387 4.290 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)cn1 ZINC000849613500 1069274432 /nfs/dbraw/zinc/27/44/32/1069274432.db2.gz SNWUMQCKLWUBTQ-HIFRSBDPSA-N 1 1 462.779 4.058 20 0 JIADMO COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CCN(C(=S)Nc1ccc(F)c(F)c1)CC2 ZINC001200686126 1069286565 /nfs/dbraw/zinc/28/65/65/1069286565.db2.gz ICIWEKQJBUVMIM-MRXNPFEDSA-N 1 1 452.596 4.121 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CCN(C(=S)Nc1ccc(F)c(F)c1)CC2 ZINC001200686126 1069286584 /nfs/dbraw/zinc/28/65/84/1069286584.db2.gz ICIWEKQJBUVMIM-MRXNPFEDSA-N 1 1 452.596 4.121 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1ccc(C)nc1 ZINC001300640362 1069306039 /nfs/dbraw/zinc/30/60/39/1069306039.db2.gz VJYXFRFMXAKHPM-UHFFFAOYSA-N 1 1 478.641 4.174 20 0 JIADMO O=C1Nc2ccccc2[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]12 ZINC001164402250 718858388 /nfs/dbraw/zinc/85/83/88/718858388.db2.gz JSVDBSFOJNRARG-RTBURBONSA-N 1 1 459.619 4.338 20 0 JIADMO c1ccc(C[N@H+]2C[C@@H]3CCCN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)[C@@H]3C2)cc1 ZINC001164627355 719085039 /nfs/dbraw/zinc/08/50/39/719085039.db2.gz QNZRJXDDABYCRJ-WIOPSUGQSA-N 1 1 455.610 4.025 20 0 JIADMO c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)[C@@H]3C2)cc1 ZINC001164632358 719098296 /nfs/dbraw/zinc/09/82/96/719098296.db2.gz ZHGWFZFBVDWIPK-JTHBVZDNSA-N 1 1 489.689 4.113 20 0 JIADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(C[NH+]5CCCCC5)nc5sc(C)c(C)c54)C[C@H]3O2)n1 ZINC001164649862 719300363 /nfs/dbraw/zinc/30/03/63/719300363.db2.gz HVATVTCDHJAQOV-GBESFXJTSA-N 1 1 468.627 4.342 20 0 JIADMO CC(C)N(C)C(=O)c1noc2c1CN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)CC2 ZINC001164693588 719787427 /nfs/dbraw/zinc/78/74/27/719787427.db2.gz AZPCQBNAIWNPRP-UHFFFAOYSA-N 1 1 490.633 4.451 20 0 JIADMO CC(C)Oc1ncnc2c1CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164695137 719792166 /nfs/dbraw/zinc/79/21/66/719792166.db2.gz JLNNGSXATYIQOI-UHFFFAOYSA-N 1 1 478.666 4.348 20 0 JIADMO COC(=O)c1cc(C(F)(F)N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)cnc1Cl ZINC001164692915 719806794 /nfs/dbraw/zinc/80/67/94/719806794.db2.gz NRKLBYPRDLXIGC-UHFFFAOYSA-N 1 1 470.973 4.466 20 0 JIADMO COC(=O)c1cc(C(F)(F)N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)cnc1Cl ZINC001164692915 719806795 /nfs/dbraw/zinc/80/67/95/719806795.db2.gz NRKLBYPRDLXIGC-UHFFFAOYSA-N 1 1 470.973 4.466 20 0 JIADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696213 719892681 /nfs/dbraw/zinc/89/26/81/719892681.db2.gz CFRAPYJRFNRYFD-UHFFFAOYSA-N 1 1 472.998 4.003 20 0 JIADMO CC(C)(C)c1noc(-c2ccnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2)n1 ZINC001164698472 719897056 /nfs/dbraw/zinc/89/70/56/719897056.db2.gz UQFQTZXLPZVFGP-UHFFFAOYSA-N 1 1 453.612 4.362 20 0 JIADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164716273 720109308 /nfs/dbraw/zinc/10/93/08/720109308.db2.gz KBMJRGCVMJJMDI-FQEVSTJZSA-N 1 1 473.017 4.123 20 0 JIADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1C ZINC001164716032 720116643 /nfs/dbraw/zinc/11/66/43/720116643.db2.gz INIPTYQURXBBRR-HXUWFJFHSA-N 1 1 473.017 4.123 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1ccn3C1CCCC1)CC2 ZINC001164718586 720121970 /nfs/dbraw/zinc/12/19/70/720121970.db2.gz SWYOFXSADMIVGB-HSZRJFAPSA-N 1 1 460.626 4.449 20 0 JIADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164719549 720123497 /nfs/dbraw/zinc/12/34/97/720123497.db2.gz YUKUYEUGURHUDW-QFIPXVFZSA-N 1 1 486.060 4.120 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164716938 720123918 /nfs/dbraw/zinc/12/39/18/720123918.db2.gz LTTKLKQOJHQZFG-FQEVSTJZSA-N 1 1 473.017 4.123 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CC2 ZINC001164716943 720126426 /nfs/dbraw/zinc/12/64/26/720126426.db2.gz LZPHWBAFKGVTOW-SFHVURJKSA-N 1 1 488.970 4.126 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)CC2 ZINC001164713054 720135241 /nfs/dbraw/zinc/13/52/41/720135241.db2.gz PPFOHPMLULGQNR-QFIPXVFZSA-N 1 1 476.625 4.332 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3nc(Cl)cnc3cc1F)CC2 ZINC001164714785 720146626 /nfs/dbraw/zinc/14/66/26/720146626.db2.gz ZASARNDCJRAXON-GOSISDBHSA-N 1 1 455.965 4.325 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)C2 ZINC001164815542 720150718 /nfs/dbraw/zinc/15/07/18/720150718.db2.gz ICSDHZYNOVXGNA-LEAFIULHSA-N 1 1 463.622 4.369 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)cc(OCc3ccccc3)n1)CC2 ZINC001164712045 720151334 /nfs/dbraw/zinc/15/13/34/720151334.db2.gz KHRJDDWIFDVZME-RUZDIDTESA-N 1 1 473.621 4.267 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164714382 720155336 /nfs/dbraw/zinc/15/53/36/720155336.db2.gz WQWPADMLNGKYFD-FQEVSTJZSA-N 1 1 453.587 4.247 20 0 JIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164818698 720165056 /nfs/dbraw/zinc/16/50/56/720165056.db2.gz UDCAGZZMQDRIFJ-BVZFJXPGSA-N 1 1 458.002 4.250 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccn3)c(-c3ccccn3)nc1Cl)C2 ZINC001164810918 720200556 /nfs/dbraw/zinc/20/05/56/720200556.db2.gz FMNFFIVGGDHMFL-HRFSGMKKSA-N 1 1 491.039 4.439 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)CCC2 ZINC001164813220 720234173 /nfs/dbraw/zinc/23/41/73/720234173.db2.gz LJLHHOAKGMHJOZ-UHFFFAOYSA-N 1 1 480.774 4.394 20 0 JIADMO COc1ccc(-c2csc3ncnc(N4CCCn5c(=O)cc(C[N@@H+](C)C(C)C)nc5C4)c23)cc1 ZINC001164812123 720237603 /nfs/dbraw/zinc/23/76/03/720237603.db2.gz BPFZTQGWWHNSRV-UHFFFAOYSA-N 1 1 490.633 4.174 20 0 JIADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164818270 720245120 /nfs/dbraw/zinc/24/51/20/720245120.db2.gz YCTSDGUANDLTCQ-UHFFFAOYSA-N 1 1 483.016 4.292 20 0 JIADMO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1c1nc(C[NH+]2CCCCC2)nc2sc(C)c(C)c21 ZINC001164725509 720316056 /nfs/dbraw/zinc/31/60/56/720316056.db2.gz WKDPPQNUJXXWLA-OAQYLSRUSA-N 1 1 495.697 4.311 20 0 JIADMO COc1cc2c(cc1OCc1ccccc1)ncnc2N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726697 720350415 /nfs/dbraw/zinc/35/04/15/720350415.db2.gz RCPBHVLHUAOGIW-DQEYMECFSA-N 1 1 467.573 4.466 20 0 JIADMO CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3nc(C[NH+](C)C)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164826215 720424696 /nfs/dbraw/zinc/42/46/96/720424696.db2.gz OUJIVOCWCHIWNZ-HKBOAZHASA-N 1 1 493.677 4.033 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4c3ccn4Cc3cccc(F)c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838016 720552289 /nfs/dbraw/zinc/55/22/89/720552289.db2.gz NIRHQFJNLTZQKP-NMVJMZGASA-N 1 1 473.600 4.193 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4ccccc4nc3N3CCCCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840125 720595869 /nfs/dbraw/zinc/59/58/69/720595869.db2.gz PBWFKMBENJKDTD-WRALFONMSA-N 1 1 459.642 4.194 20 0 JIADMO CCc1nc2sc3c(c2c(N2CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C2)n1)CCC3 ZINC001164839489 720600531 /nfs/dbraw/zinc/60/05/31/720600531.db2.gz NKZDIFDFYWOWDB-WSTZPKSXSA-N 1 1 450.656 4.317 20 0 JIADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164835271 720605781 /nfs/dbraw/zinc/60/57/81/720605781.db2.gz AUYPLEBCKNNZDJ-XPWALMASSA-N 1 1 493.725 4.478 20 0 JIADMO COc1ccc(Oc2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc(C)n2)cc1 ZINC001164837234 720634518 /nfs/dbraw/zinc/63/45/18/720634518.db2.gz HRXGCGGTJZXOEB-ZFGGDYGUSA-N 1 1 462.598 4.160 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3)CC[C@@H]21 ZINC001164843131 720642887 /nfs/dbraw/zinc/64/28/87/720642887.db2.gz WNFYDKKYPOTIAM-ZJOUEHCJSA-N 1 1 452.990 4.497 20 0 JIADMO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737305 720679987 /nfs/dbraw/zinc/67/99/87/720679987.db2.gz FITPJVLRIDKNDO-LSDHHAIUSA-N 1 1 466.319 4.218 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)n1 ZINC001164844502 720687713 /nfs/dbraw/zinc/68/77/13/720687713.db2.gz SPQDBPCDWVEITR-GOSISDBHSA-N 1 1 479.955 4.326 20 0 JIADMO Clc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164737630 720691955 /nfs/dbraw/zinc/69/19/55/720691955.db2.gz GSPDQQWVWLVSPL-PMACEKPBSA-N 1 1 458.953 4.082 20 0 JIADMO CN(C)c1ccc(-c2ccnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)n2)cc1 ZINC001164840388 720704760 /nfs/dbraw/zinc/70/47/60/720704760.db2.gz QGEOKPOVSSTEJJ-VWLOTQADSA-N 1 1 457.622 4.470 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CC2 ZINC001164838169 720707393 /nfs/dbraw/zinc/70/73/93/720707393.db2.gz GZVBKYNIRAVXIA-MRXNPFEDSA-N 1 1 454.974 4.224 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(-c3ccncc3)nc3c1CCC3)CC2 ZINC001164839017 720721330 /nfs/dbraw/zinc/72/13/30/720721330.db2.gz KHFLAWDQKPCPSL-QHCPKHFHSA-N 1 1 455.606 4.287 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)CC2 ZINC001164840908 720722512 /nfs/dbraw/zinc/72/25/12/720722512.db2.gz SHKHUWAASXHOEZ-HHHXNRCGSA-N 1 1 499.659 4.240 20 0 JIADMO CC[C@@H]1N(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)CCC[C@]12CCC(=O)N2 ZINC001164846487 720755152 /nfs/dbraw/zinc/75/51/52/720755152.db2.gz JFBVXJLSGHLCQK-FHLBMDLUSA-N 1 1 467.683 4.440 20 0 JIADMO CC[C@H]1N(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)CCC[C@@]12CCC(=O)N2 ZINC001164846448 720755287 /nfs/dbraw/zinc/75/52/87/720755287.db2.gz IZXPJFIPNKRQCO-KBMIEXCESA-N 1 1 453.656 4.194 20 0 JIADMO CC[C@@H]1N(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)CCC[C@@]12CCC(=O)N2 ZINC001164846488 720755388 /nfs/dbraw/zinc/75/53/88/720755388.db2.gz JFBVXJLSGHLCQK-OWWOZPERSA-N 1 1 467.683 4.440 20 0 JIADMO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001164740004 720848276 /nfs/dbraw/zinc/84/82/76/720848276.db2.gz BLMMQJDKSHSUEZ-SLYNCCJLSA-N 1 1 483.979 4.032 20 0 JIADMO Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001164740002 720848556 /nfs/dbraw/zinc/84/85/56/720848556.db2.gz BLMMQJDKSHSUEZ-FBBABVLZSA-N 1 1 483.979 4.032 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)CC[C@@H]2C1 ZINC001164852228 720850315 /nfs/dbraw/zinc/85/03/15/720850315.db2.gz JEMJYXKMGQAKRP-KUHUBIRLSA-N 1 1 460.352 4.260 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)CC[C@@H]2C1 ZINC001164852226 720850409 /nfs/dbraw/zinc/85/04/09/720850409.db2.gz JEMJYXKMGQAKRP-AUUYWEPGSA-N 1 1 460.352 4.260 20 0 JIADMO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164748885 720858360 /nfs/dbraw/zinc/85/83/60/720858360.db2.gz MUTRWNSUEHNYSQ-JAXLGGSGSA-N 1 1 480.016 4.202 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)nc4cc(Cl)ccc43)CC[C@H]2C1 ZINC001164861530 720861612 /nfs/dbraw/zinc/86/16/12/720861612.db2.gz XXSOLPXLHPKDSK-FDDCHVKYSA-N 1 1 470.976 4.263 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4sc(-c5ccccc5)cc43)CC[C@H]2C1 ZINC001164852606 720867177 /nfs/dbraw/zinc/86/71/77/720867177.db2.gz DQLHWFOJBNDVMA-HKUYNNGSSA-N 1 1 459.015 4.185 20 0 JIADMO CCOC(=O)c1cnc(Cl)cc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755913 720869555 /nfs/dbraw/zinc/86/95/55/720869555.db2.gz ZYFYBWQKNPVTFP-QFQXNSOFSA-N 1 1 485.028 4.062 20 0 JIADMO FC(F)(c1cccnc1Cl)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749648 720870476 /nfs/dbraw/zinc/87/04/76/720870476.db2.gz HPHZQAXDCOLHJB-NZQKXSOJSA-N 1 1 462.972 4.430 20 0 JIADMO COCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(-c2ccccc2)n1 ZINC001164748508 720873647 /nfs/dbraw/zinc/87/36/47/720873647.db2.gz FPZLSPRUTAGBAF-PDDLMNHVSA-N 1 1 499.659 4.440 20 0 JIADMO COc1cc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(Cl)n1 ZINC001164750649 720874896 /nfs/dbraw/zinc/87/48/96/720874896.db2.gz JKZJRAZRVTZXOJ-XUZZJYLKSA-N 1 1 492.998 4.439 20 0 JIADMO c1ccc(COc2cncc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164751548 720878456 /nfs/dbraw/zinc/87/84/56/720878456.db2.gz KYUMZDOHYZDALA-GGXMVOPNSA-N 1 1 485.632 4.206 20 0 JIADMO Clc1cccc2c1ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750106 720878535 /nfs/dbraw/zinc/87/85/35/720878535.db2.gz ITJKOGBQNBZLCT-RLWLMLJZSA-N 1 1 464.013 4.433 20 0 JIADMO FC(F)(Oc1cccnc1Cl)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755445 720880081 /nfs/dbraw/zinc/88/00/81/720880081.db2.gz WYQNSCTVAKFFKY-REWPJTCUSA-N 1 1 478.971 4.310 20 0 JIADMO CC1(C)OCc2c1nc(Cl)nc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752962 720881411 /nfs/dbraw/zinc/88/14/11/720881411.db2.gz NRFHZRJEITWFMH-RXFWQSSRSA-N 1 1 484.044 4.045 20 0 JIADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2nccnc2C2SCCCS2)C3)c1 ZINC001164753213 720882344 /nfs/dbraw/zinc/88/23/44/720882344.db2.gz GDCVUTPAZUXMTH-NVQXNPDNSA-N 1 1 497.734 4.495 20 0 JIADMO FC(F)(COc1ccnc(Cl)c1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757511 720887408 /nfs/dbraw/zinc/88/74/08/720887408.db2.gz VKYJAJSCVXMSNV-QPPBQGQZSA-N 1 1 492.998 4.352 20 0 JIADMO CCc1c(Cl)nnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1CC ZINC001164751712 720891030 /nfs/dbraw/zinc/89/10/30/720891030.db2.gz DCSSHJYHQCBLNT-LVXARBLLSA-N 1 1 470.061 4.405 20 0 JIADMO CCOC(=O)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164755121 720892059 /nfs/dbraw/zinc/89/20/59/720892059.db2.gz KXUFSLZLLRXKTD-BKMJKUGQSA-N 1 1 485.028 4.062 20 0 JIADMO COc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc(C)c2c1 ZINC001164756566 720895106 /nfs/dbraw/zinc/89/51/06/720895106.db2.gz QILGXOAMKOHXQN-QDPGVEIFSA-N 1 1 473.621 4.097 20 0 JIADMO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755329 720902054 /nfs/dbraw/zinc/90/20/54/720902054.db2.gz KZSIFOKGKBADAL-PGRDOPGGSA-N 1 1 496.027 4.114 20 0 JIADMO CC(C)n1ccc2c1ncnc2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754392 720904122 /nfs/dbraw/zinc/90/41/22/720904122.db2.gz ITNAJAFKVVMDBF-YIXXDRMTSA-N 1 1 460.626 4.162 20 0 JIADMO CSc1cnc(Cl)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755238 720905949 /nfs/dbraw/zinc/90/59/49/720905949.db2.gz ZXMJJGDIVBXMEM-AUSIDOKSSA-N 1 1 460.047 4.002 20 0 JIADMO COc1cccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)c1 ZINC001164752934 720912260 /nfs/dbraw/zinc/91/22/60/720912260.db2.gz PNAFERYFUHFIBX-ABYGYWHVSA-N 1 1 485.632 4.302 20 0 JIADMO Fc1ccc(-c2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)cc1 ZINC001164751296 720916194 /nfs/dbraw/zinc/91/61/94/720916194.db2.gz LDNRPWAXEHUSMU-CUBQBAPOSA-N 1 1 473.596 4.433 20 0 JIADMO CCCSc1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747089 720919563 /nfs/dbraw/zinc/91/95/63/720919563.db2.gz BWDHSKVESSYOIA-RCZVLFRGSA-N 1 1 453.656 4.129 20 0 JIADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(-c2ccco2)n1 ZINC001164754634 720920273 /nfs/dbraw/zinc/92/02/73/720920273.db2.gz WLRKFFOLRXWWAC-WNCULLNHSA-N 1 1 459.594 4.195 20 0 JIADMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(-c2ccco2)n1 ZINC001164754635 720921286 /nfs/dbraw/zinc/92/12/86/720921286.db2.gz WLRKFFOLRXWWAC-YIXXDRMTSA-N 1 1 459.594 4.195 20 0 JIADMO CC(C)Sc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164751418 720922787 /nfs/dbraw/zinc/92/27/87/720922787.db2.gz MIIBERKDCWGXQA-DHLKQENFSA-N 1 1 453.656 4.127 20 0 JIADMO Cc1nc(-c2ccccn2)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164755187 720923069 /nfs/dbraw/zinc/92/30/69/720923069.db2.gz ZJQGVNRACUXPFX-SVEHJYQDSA-N 1 1 484.648 4.306 20 0 JIADMO Cc1nc(-c2ccncc2)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164755050 720924093 /nfs/dbraw/zinc/92/40/93/720924093.db2.gz XZIFKGKOUDXVLH-UHSQPCAPSA-N 1 1 484.648 4.306 20 0 JIADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2nc(-c4ccncc4)nc4c2CCC4)C3)c1 ZINC001164752173 720924991 /nfs/dbraw/zinc/92/49/91/720924991.db2.gz NLNWILCNRUGEOK-FYBSXPHGSA-N 1 1 496.659 4.177 20 0 JIADMO c1cc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nn2)cs1 ZINC001164751434 720928662 /nfs/dbraw/zinc/92/86/62/720928662.db2.gz MLBBHAPNNQUWRA-OZXSUGGESA-N 1 1 461.635 4.355 20 0 JIADMO CCCSc1ncnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1OC ZINC001164753700 720936677 /nfs/dbraw/zinc/93/66/77/720936677.db2.gz SCBSPJLKFZCCLG-BKMJKUGQSA-N 1 1 483.682 4.137 20 0 JIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)[C@@H]2C ZINC001164860429 720999607 /nfs/dbraw/zinc/99/96/07/720999607.db2.gz OAXGQXVVXACVMG-OAHLLOKOSA-N 1 1 461.948 4.355 20 0 JIADMO COc1ccc2nc(C(F)(F)N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)nc(Cl)c2c1 ZINC001164863189 721006424 /nfs/dbraw/zinc/00/64/24/721006424.db2.gz UISFCQQGYZXKKB-CQSZACIVSA-N 1 1 464.948 4.455 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](OCc3cccnc3)[C@@H]3COC[C@H]32)n1 ZINC001164758027 721010521 /nfs/dbraw/zinc/01/05/21/721010521.db2.gz HQBGHIMIKSNMED-MZYLBHOOSA-N 1 1 487.629 4.235 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](C(=O)N(C)Cc3ccccn3)C[C@@H]3OCC[C@@H]32)nc1 ZINC001164759407 721016856 /nfs/dbraw/zinc/01/68/56/721016856.db2.gz MGTNGUAGWQULSW-BPHNFWMXSA-N 1 1 477.653 4.056 20 0 JIADMO Cc1ccc(-c2cc(C(F)(F)N3CCc4[nH+]cc(Cn5cccn5)n4CC3)c(Cl)nn2)cc1 ZINC001164863365 721034643 /nfs/dbraw/zinc/03/46/43/721034643.db2.gz SFBOYOSVBIZFSU-UHFFFAOYSA-N 1 1 469.927 4.154 20 0 JIADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866542 721068885 /nfs/dbraw/zinc/06/88/85/721068885.db2.gz FGFWTRYPPUEYDD-LEWJYISDSA-N 1 1 471.939 4.217 20 0 JIADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164862778 721096719 /nfs/dbraw/zinc/09/67/19/721096719.db2.gz AIIHLUMGMCOPQI-DLBZAZTESA-N 1 1 480.346 4.356 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccccc5F)nc5ccc(F)cc54)C[C@@H]3C2)cn1 ZINC001164762305 721099439 /nfs/dbraw/zinc/09/94/39/721099439.db2.gz DXNFLYHTWCWXBR-OALUTQOASA-N 1 1 460.532 4.267 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(-c5cc(Cl)ncn5)cc4)C[C@@H]3C2)cn1 ZINC001164765764 721101740 /nfs/dbraw/zinc/10/17/40/721101740.db2.gz JTABGQARZCHHER-MOPGFXCFSA-N 1 1 458.944 4.034 20 0 JIADMO Cc1sc2nc(-c3cccnc3)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164872720 721144875 /nfs/dbraw/zinc/14/48/75/721144875.db2.gz IFJKJAHYTLJPAY-FGZHOGPDSA-N 1 1 472.618 4.245 20 0 JIADMO Clc1ccc(-c2nc3c(c(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)n2)CCC3)s1 ZINC001164880413 721169084 /nfs/dbraw/zinc/16/90/84/721169084.db2.gz WJHLWUJINXJJIS-ZWKOTPCHSA-N 1 1 468.026 4.222 20 0 JIADMO Clc1ccc(-c2nc3c(c(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)n2)CCC3)s1 ZINC001164880412 721169837 /nfs/dbraw/zinc/16/98/37/721169837.db2.gz WJHLWUJINXJJIS-ROUUACIJSA-N 1 1 468.026 4.222 20 0 JIADMO c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC[N@H+]3C2)c1 ZINC001164880956 721171502 /nfs/dbraw/zinc/17/15/02/721171502.db2.gz YGYBLMOPZWDVMX-FTJBHMTQSA-N 1 1 470.621 4.009 20 0 JIADMO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC[N@H+]3C2)c1 ZINC001164880955 721171948 /nfs/dbraw/zinc/17/19/48/721171948.db2.gz YGYBLMOPZWDVMX-CLJLJLNGSA-N 1 1 470.621 4.009 20 0 JIADMO c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC[N@H+]3C2)c1 ZINC001164880958 721172077 /nfs/dbraw/zinc/17/20/77/721172077.db2.gz YGYBLMOPZWDVMX-UIOOFZCWSA-N 1 1 470.621 4.009 20 0 JIADMO Cc1sc2nc(-c3cccnc3)nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164765880 721198818 /nfs/dbraw/zinc/19/88/18/721198818.db2.gz IOPUWELSJBZEIK-RTWAWAEBSA-N 1 1 459.623 4.062 20 0 JIADMO CSCc1nc2sc3c(c2c(N2C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C2)n1)CCCC3 ZINC001164770092 721201308 /nfs/dbraw/zinc/20/13/08/721201308.db2.gz MZMDVYIMDNBOKG-MSOLQXFVSA-N 1 1 468.696 4.125 20 0 JIADMO 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CCN1CC[C@]2(CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]2C)C1=O ZINC001164778312 721320532 /nfs/dbraw/zinc/32/05/32/721320532.db2.gz OYRQJBGPXVPHAG-WXTAPIANSA-N 1 1 467.683 4.251 20 0 JIADMO CSc1nc(Cl)cc(C(F)(F)N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777664 721336093 /nfs/dbraw/zinc/33/60/93/721336093.db2.gz PCBTUCWSLZQZHH-FQEVSTJZSA-N 1 1 488.004 4.121 20 0 JIADMO CSc1nc(Cl)cc(C(F)(F)N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777664 721336095 /nfs/dbraw/zinc/33/60/95/721336095.db2.gz PCBTUCWSLZQZHH-FQEVSTJZSA-N 1 1 488.004 4.121 20 0 JIADMO CSc1nc2sccc2c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164777769 721337133 /nfs/dbraw/zinc/33/71/33/721337133.db2.gz QLQQJRQOXAPSRI-JOCHJYFZSA-N 1 1 459.641 4.137 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C)cc(Cl)n3)C2)C1 ZINC001164782258 721354975 /nfs/dbraw/zinc/35/49/75/721354975.db2.gz LTNPKPARBRPKGU-OAQYLSRUSA-N 1 1 454.949 4.312 20 0 JIADMO 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C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(-c5ccc(Cl)nn5)cc4)C3)O2)CC1 ZINC001164890294 721437358 /nfs/dbraw/zinc/43/73/58/721437358.db2.gz DEMWRUYNMMEOIU-XUZZJYLKSA-N 1 1 492.014 4.107 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(-c5ccc(Cl)nn5)cc4)C3)O2)CC1 ZINC001164890293 721437403 /nfs/dbraw/zinc/43/74/03/721437403.db2.gz DEMWRUYNMMEOIU-URXFXBBRSA-N 1 1 492.014 4.107 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001164783245 721450881 /nfs/dbraw/zinc/45/08/81/721450881.db2.gz ATMIXWSMOSUOKB-INIZCTEOSA-N 1 1 479.399 4.062 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(Oc3ccccc3)n1)CC2 ZINC001164785264 721455314 /nfs/dbraw/zinc/45/53/14/721455314.db2.gz HYAUQHOJQAHGKW-QFIPXVFZSA-N 1 1 452.599 4.003 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(SC)nc3ccsc31)CC2 ZINC001164784312 721458499 /nfs/dbraw/zinc/45/84/99/721458499.db2.gz HHAOYDJJHDPSPW-SFHVURJKSA-N 1 1 462.685 4.147 20 0 JIADMO 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C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3c(Cl)ncnc3c2)[C@H]2CCCO[C@H]12 ZINC001164803713 721536882 /nfs/dbraw/zinc/53/68/82/721536882.db2.gz IWXFSEQVPAVQRK-HBMCJLEFSA-N 1 1 459.928 4.091 20 0 JIADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)CC[N@H+]3C2)c1 ZINC001164904302 721551392 /nfs/dbraw/zinc/55/13/92/721551392.db2.gz DVLRZCQKJAGLFX-HKUYNNGSSA-N 1 1 475.902 4.218 20 0 JIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccn5)n4)CC[N@H+]3C2)c1 ZINC001164905326 721557400 /nfs/dbraw/zinc/55/74/00/721557400.db2.gz GTDHGWIHZGVOAG-SJLPKXTDSA-N 1 1 475.902 4.218 20 0 JIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5=CC[NH2+]CC5)c4)CCN3C2)c1 ZINC001164907217 721567676 /nfs/dbraw/zinc/56/76/76/721567676.db2.gz MTYGRCCPVGTKPT-CTNGQTDRSA-N 1 1 478.946 4.138 20 0 JIADMO COC(=O)c1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2C)cc1 ZINC001164804020 721573804 /nfs/dbraw/zinc/57/38/04/721573804.db2.gz KSJJKSSTSVMYBN-CMTIAEDTSA-N 1 1 472.589 4.107 20 0 JIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164805441 721576163 /nfs/dbraw/zinc/57/61/63/721576163.db2.gz OAAKJVWWCDZZNK-AWRGLXIESA-N 1 1 480.996 4.328 20 0 JIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164805441 721576166 /nfs/dbraw/zinc/57/61/66/721576166.db2.gz OAAKJVWWCDZZNK-AWRGLXIESA-N 1 1 480.996 4.328 20 0 JIADMO Cc1sc2nc(CN3CCCC3)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1C ZINC001164806261 721577800 /nfs/dbraw/zinc/57/78/00/721577800.db2.gz MQVRPUHEKHZEKL-HWBMXIPRSA-N 1 1 492.693 4.167 20 0 JIADMO Cc1sc2nc(CN3CCCC3)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2c1C ZINC001164806261 721577803 /nfs/dbraw/zinc/57/78/03/721577803.db2.gz MQVRPUHEKHZEKL-HWBMXIPRSA-N 1 1 492.693 4.167 20 0 JIADMO COc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc(Cl)n1 ZINC001164904292 721586038 /nfs/dbraw/zinc/58/60/38/721586038.db2.gz FHXHINVCBILDNF-IBGZPJMESA-N 1 1 458.887 4.421 20 0 JIADMO O=C(NCc1ccccc1)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908525 721586503 /nfs/dbraw/zinc/58/65/03/721586503.db2.gz ZXCHGQYMWLUZRQ-AREMUKBSSA-N 1 1 477.559 4.144 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccncc3)nc3sccc32)[C@H]2CCCO[C@H]12 ZINC001164810163 721587090 /nfs/dbraw/zinc/58/70/90/721587090.db2.gz UXBKPUWGUZSHNG-BDTNDASRSA-N 1 1 458.591 4.017 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccncc3)nc3sccc32)[C@H]2CCCO[C@H]12 ZINC001164810163 721587093 /nfs/dbraw/zinc/58/70/93/721587093.db2.gz UXBKPUWGUZSHNG-BDTNDASRSA-N 1 1 458.591 4.017 20 0 JIADMO COc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164810125 721590185 /nfs/dbraw/zinc/59/01/85/721590185.db2.gz ULMXYYMDCDEFBU-PMVMPFDFSA-N 1 1 481.984 4.194 20 0 JIADMO COc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164810125 721590186 /nfs/dbraw/zinc/59/01/86/721590186.db2.gz ULMXYYMDCDEFBU-PMVMPFDFSA-N 1 1 481.984 4.194 20 0 JIADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904964 721703996 /nfs/dbraw/zinc/70/39/96/721703996.db2.gz FXMABMUSXATUGD-NRFANRHFSA-N 1 1 497.999 4.161 20 0 JIADMO CCOC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164907032 721706364 /nfs/dbraw/zinc/70/63/64/721706364.db2.gz PQHVQNFBHWAVCR-OAQYLSRUSA-N 1 1 450.917 4.044 20 0 JIADMO FC(F)(COc1cccc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905540 721713018 /nfs/dbraw/zinc/71/30/18/721713018.db2.gz HFQBOHYIIZBCJL-IBGZPJMESA-N 1 1 458.887 4.335 20 0 JIADMO COc1cccc(-c2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164907337 721715665 /nfs/dbraw/zinc/71/56/65/721715665.db2.gz QZDBPYIAOCSEGB-XMMPIXPASA-N 1 1 451.521 4.285 20 0 JIADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905609 721717720 /nfs/dbraw/zinc/71/77/20/721717720.db2.gz HXYVYLXIMBPNMA-AREMUKBSSA-N 1 1 494.590 4.148 20 0 JIADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907365 721723635 /nfs/dbraw/zinc/72/36/35/721723635.db2.gz RDAJEAMCGAGMGT-HXUWFJFHSA-N 1 1 486.897 4.199 20 0 JIADMO COc1ccc(-c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nn2)c(OC)c1 ZINC001164909624 721762522 /nfs/dbraw/zinc/76/25/22/721762522.db2.gz CZALTPMKBJCPMA-UHFFFAOYSA-N 1 1 471.561 4.344 20 0 JIADMO COc1ccc(-c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nn2)c(OC)c1 ZINC001164909624 721762524 /nfs/dbraw/zinc/76/25/24/721762524.db2.gz CZALTPMKBJCPMA-UHFFFAOYSA-N 1 1 471.561 4.344 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)n1 ZINC001165016805 721785527 /nfs/dbraw/zinc/78/55/27/721785527.db2.gz DYPDDJMFHMKSHN-HHHXNRCGSA-N 1 1 499.644 4.233 20 0 JIADMO Cc1ccc(-c2nnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c3ccccc32)cc1 ZINC001164913993 721793018 /nfs/dbraw/zinc/79/30/18/721793018.db2.gz JPPACYNJJCSHLK-LJAQVGFWSA-N 1 1 481.600 4.108 20 0 JIADMO Cc1ccc(-c2nnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c3ccccc32)cc1 ZINC001164913993 721793020 /nfs/dbraw/zinc/79/30/20/721793020.db2.gz JPPACYNJJCSHLK-LJAQVGFWSA-N 1 1 481.600 4.108 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C[C@H]21 ZINC001165020487 721804640 /nfs/dbraw/zinc/80/46/40/721804640.db2.gz FUSCWFNIMNGETE-MISYRCLQSA-N 1 1 477.003 4.407 20 0 JIADMO COC(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cnc1Cl ZINC001165017894 721807849 /nfs/dbraw/zinc/80/78/49/721807849.db2.gz BBWFOAIMCGNOEE-CWFSZBLJSA-N 1 1 464.944 4.198 20 0 JIADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020799 721812756 /nfs/dbraw/zinc/81/27/56/721812756.db2.gz DCJSKYHBONVAMM-UCNVEGJOSA-N 1 1 465.985 4.202 20 0 JIADMO COc1cc2nc(Cl)c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2cc1OC ZINC001165023544 721813176 /nfs/dbraw/zinc/81/31/76/721813176.db2.gz HTUCCMBMYOITSY-MDKPJZGXSA-N 1 1 468.001 4.432 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3C(=O)NC(C)(C)C)C[C@@H]21 ZINC001165024715 721815778 /nfs/dbraw/zinc/81/57/78/721815778.db2.gz KKBBENLJPFAICJ-DZFGPLHGSA-N 1 1 456.034 4.395 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)nc1 ZINC001164928705 721836862 /nfs/dbraw/zinc/83/68/62/721836862.db2.gz XXSPYQCVSFBVPX-JQYIIUTOSA-N 1 1 450.631 4.073 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5c4CCN(Cc4ccccc4)C5)CC3)C2)cc1 ZINC001164938953 721925091 /nfs/dbraw/zinc/92/50/91/721925091.db2.gz DDEAKUUVOLSRTC-UHFFFAOYSA-N 1 1 483.660 4.215 20 0 JIADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3scc(-c4cccs4)c31)CC2 ZINC001164945034 721971286 /nfs/dbraw/zinc/97/12/86/721971286.db2.gz NHTPBEXKMABRFV-UHFFFAOYSA-N 1 1 475.643 4.391 20 0 JIADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc3scc(-c4cccs4)c31)CC2 ZINC001164945034 721971289 /nfs/dbraw/zinc/97/12/89/721971289.db2.gz NHTPBEXKMABRFV-UHFFFAOYSA-N 1 1 475.643 4.391 20 0 JIADMO Cc1sc2nc(CN3CCOCC3)nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1C ZINC001164956216 722022017 /nfs/dbraw/zinc/02/20/17/722022017.db2.gz YTJVLSIJIVXZDN-UHFFFAOYSA-N 1 1 492.693 4.028 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)n1 ZINC001164956310 722035003 /nfs/dbraw/zinc/03/50/03/722035003.db2.gz DNBUQPGXVQJRLR-SKCUWOTOSA-N 1 1 498.656 4.348 20 0 JIADMO FC(F)(c1ccnc(Cl)c1Cl)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164958744 722053084 /nfs/dbraw/zinc/05/30/84/722053084.db2.gz FZIYXBOFHOFLHK-UHFFFAOYSA-N 1 1 457.352 4.447 20 0 JIADMO Cc1ccc(-c2nc3c(ncnc3N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)o2)cc1 ZINC001164961608 722059806 /nfs/dbraw/zinc/05/98/06/722059806.db2.gz MSEJFOXLMJMGLO-UHFFFAOYSA-N 1 1 470.577 4.107 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H]2CCN3C(=O)c2cscn2)n1 ZINC001164963656 722065252 /nfs/dbraw/zinc/06/52/52/722065252.db2.gz BVPXYBVDNGAZER-ROUUACIJSA-N 1 1 470.668 4.100 20 0 JIADMO Fc1ccc(Oc2ccc(Cl)nn2)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978942 722139991 /nfs/dbraw/zinc/13/99/91/722139991.db2.gz LCPOJOXVVUHIDX-AVRDEDQJSA-N 1 1 469.948 4.184 20 0 JIADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164974326 722141637 /nfs/dbraw/zinc/14/16/37/722141637.db2.gz DGJZSOHSWUAQGX-XZOQPEGZSA-N 1 1 492.693 4.026 20 0 JIADMO c1ccc2c(c1)cccc2-c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164982782 722147748 /nfs/dbraw/zinc/14/77/48/722147748.db2.gz SLDBGFXUQRHAKE-YIXXDRMTSA-N 1 1 451.574 4.419 20 0 JIADMO c1ccc2c(c1)cccc2-c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164982779 722148065 /nfs/dbraw/zinc/14/80/65/722148065.db2.gz SLDBGFXUQRHAKE-HOFKKMOUSA-N 1 1 451.574 4.419 20 0 JIADMO c1ccc(COc2ccc3c(c2)ncnc3N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164972722 722153843 /nfs/dbraw/zinc/15/38/43/722153843.db2.gz JCJAIBCWEBXJQJ-YWEHKCAJSA-N 1 1 481.600 4.331 20 0 JIADMO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164974769 722154470 /nfs/dbraw/zinc/15/44/70/722154470.db2.gz PQVIZFYWORZVAE-NZQKXSOJSA-N 1 1 465.985 4.353 20 0 JIADMO Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971179 722155665 /nfs/dbraw/zinc/15/56/65/722155665.db2.gz BCIISJLWIWWSCG-AVRDEDQJSA-N 1 1 469.948 4.184 20 0 JIADMO COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973146 722156305 /nfs/dbraw/zinc/15/63/05/722156305.db2.gz LJQKAAXIUOOMBQ-XXBNENTESA-N 1 1 481.984 4.053 20 0 JIADMO COc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164972791 722156333 /nfs/dbraw/zinc/15/63/33/722156333.db2.gz JPKLPAFBXLDWKI-WMZHIEFXSA-N 1 1 481.984 4.053 20 0 JIADMO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977850 722158796 /nfs/dbraw/zinc/15/87/96/722158796.db2.gz YWXNSCJECPELDM-HTAPYJJXSA-N 1 1 456.949 4.158 20 0 JIADMO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]cnc5c4ccn5C4CCCC4)CC[C@H]32)cs1 ZINC001164987919 722182874 /nfs/dbraw/zinc/18/28/74/722182874.db2.gz IYGKCESZTYGCHP-FGZHOGPDSA-N 1 1 452.628 4.181 20 0 JIADMO Cc1nc(CN2CCO[C@H]3CCN(c4[nH+]cnc5c4ccn5Cc4ccccc4)CC[C@H]32)cs1 ZINC001164985872 722183076 /nfs/dbraw/zinc/18/30/76/722183076.db2.gz BZCIFPFFWUGTQT-RPWUZVMVSA-N 1 1 474.634 4.114 20 0 JIADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164996691 722206870 /nfs/dbraw/zinc/20/68/70/722206870.db2.gz VMQJIDOJNTVEJU-OAQYLSRUSA-N 1 1 453.892 4.451 20 0 JIADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164996691 722206872 /nfs/dbraw/zinc/20/68/72/722206872.db2.gz VMQJIDOJNTVEJU-OAQYLSRUSA-N 1 1 453.892 4.451 20 0 JIADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(C4CC4)nc4scc(-c5ccccc5)c42)CC3)CC1 ZINC001165001528 722238542 /nfs/dbraw/zinc/23/85/42/722238542.db2.gz IDSRPDMKQSZXRG-UHFFFAOYSA-N 1 1 497.672 4.383 20 0 JIADMO 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JIADMO 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 1066239739 /nfs/dbraw/zinc/23/97/39/1066239739.db2.gz ARAJQSILQZLOKH-HSALFYBXSA-N 1 1 451.725 4.476 20 0 JIADMO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)O[C@@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c12 ZINC001325215429 1066239640 /nfs/dbraw/zinc/23/96/40/1066239640.db2.gz NONLPSUPELNTMJ-REWPJTCUSA-N 1 1 498.583 4.443 20 0 JIADMO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)O[C@@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c12 ZINC001325215427 1066239695 /nfs/dbraw/zinc/23/96/95/1066239695.db2.gz NONLPSUPELNTMJ-NZQKXSOJSA-N 1 1 498.583 4.443 20 0 JIADMO O=C(C[N@@H+]1CCC[C@@H](C(=O)NC2CC2)C1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC001325235488 1066241092 /nfs/dbraw/zinc/24/10/92/1066241092.db2.gz JUMZAWLZCCQYOF-OAQYLSRUSA-N 1 1 492.620 4.473 20 0 JIADMO O=C(C[N@H+]1CCC[C@@H](C(=O)NC2CC2)C1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC001325235488 1066241104 /nfs/dbraw/zinc/24/11/04/1066241104.db2.gz JUMZAWLZCCQYOF-OAQYLSRUSA-N 1 1 492.620 4.473 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001316427727 1066252747 /nfs/dbraw/zinc/25/27/47/1066252747.db2.gz UZFBFVSOTQDJBR-MDNUFGMLSA-N 1 1 457.688 4.415 20 0 JIADMO Cc1ccc(CN(C)c2nnc(-c3cccc(C)n3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC001492499636 1066258808 /nfs/dbraw/zinc/25/88/08/1066258808.db2.gz UCLXAPULLCYUCI-HXUWFJFHSA-N 1 1 454.644 4.012 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3ccccc3CN3CCc4ccccc43)c2)CC1 ZINC001326128204 1066286145 /nfs/dbraw/zinc/28/61/45/1066286145.db2.gz FLENJTOFQLQPRI-UHFFFAOYSA-N 1 1 469.633 4.318 20 0 JIADMO Cc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492500605 1066288327 /nfs/dbraw/zinc/28/83/27/1066288327.db2.gz KQSVLBKBNNLKJW-GOSISDBHSA-N 1 1 471.053 4.184 20 0 JIADMO CSC[C@H]1CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CCC[NH+]1CCOCC1 ZINC001316436788 1066289405 /nfs/dbraw/zinc/28/94/05/1066289405.db2.gz NZYJIQQMALSCFQ-LJQANCHMSA-N 1 1 494.503 4.070 20 0 JIADMO Cc1cccc(-c2nnc(N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2CC[S@](=O)C(C)(C)C)n1 ZINC001492501229 1066292917 /nfs/dbraw/zinc/29/29/17/1066292917.db2.gz HCCPGTKICKVCCB-LUWBXXKHSA-N 1 1 494.709 4.154 20 0 JIADMO CSC[C@@H]1CCCN1c1nnc(COc2ccc(Br)cc2)n1CC[N@@H+]1CC=CCC1 ZINC001316441891 1066303153 /nfs/dbraw/zinc/30/31/53/1066303153.db2.gz LWAXBNGKHOZNJQ-IBGZPJMESA-N 1 1 492.487 4.213 20 0 JIADMO C[C@@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001328636460 1066328759 /nfs/dbraw/zinc/32/87/59/1066328759.db2.gz YLVBLTSNZWLRPQ-GCJKJVERSA-N 1 1 459.546 4.155 20 0 JIADMO 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 1066336210 /nfs/dbraw/zinc/33/62/10/1066336210.db2.gz HGJRLWJDAJLEMQ-OYRHEFFESA-N 1 1 495.716 4.100 20 0 JIADMO CSCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001316460881 1066355807 /nfs/dbraw/zinc/35/58/07/1066355807.db2.gz GNMMOWDTRAHMTK-FQEVSTJZSA-N 1 1 459.708 4.303 20 0 JIADMO CSCCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001316462787 1066360318 /nfs/dbraw/zinc/36/03/18/1066360318.db2.gz ORHNIFLUCNFJKX-UHFFFAOYSA-N 1 1 474.078 4.188 20 0 JIADMO CSCCCCn1c(COc2cc(C)ccc2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001316466167 1066368275 /nfs/dbraw/zinc/36/82/75/1066368275.db2.gz LIHIRUJUGMQTQA-QFIPXVFZSA-N 1 1 487.714 4.307 20 0 JIADMO CN1CC[NH+](Cc2ccc(-c3nc([C@H](NC(=O)OC(C)(C)C)c4ccccc4)no3)cc2)CC1 ZINC001332044387 1066370216 /nfs/dbraw/zinc/37/02/16/1066370216.db2.gz LMAJKKYEXNVMOA-JOCHJYFZSA-N 1 1 463.582 4.098 20 0 JIADMO CSCCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCC[C@H]1C ZINC001316469707 1066375155 /nfs/dbraw/zinc/37/51/55/1066375155.db2.gz KGNHFHRUYYNDDR-MOPGFXCFSA-N 1 1 466.696 4.024 20 0 JIADMO CSCCCN(C)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001316470701 1066377237 /nfs/dbraw/zinc/37/72/37/1066377237.db2.gz NJPWMZIIVFCXLK-GOTSBHOMSA-N 1 1 457.688 4.274 20 0 JIADMO O=S(=O)([C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC001475544006 1066433602 /nfs/dbraw/zinc/43/36/02/1066433602.db2.gz GLVNBJUEBGHVIC-BAGYTPMASA-N 1 1 470.532 4.398 20 0 JIADMO C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCC[NH+]2CCOCC2)C[C@H](C)C1(F)F ZINC001316495824 1066442904 /nfs/dbraw/zinc/44/29/04/1066442904.db2.gz HAGYZFYBFZBVGQ-CALCHBBNSA-N 1 1 498.416 4.157 20 0 JIADMO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)C1(F)F ZINC001316500758 1066460819 /nfs/dbraw/zinc/46/08/19/1066460819.db2.gz NCWJRUUMMVBNJU-KDURUIRLSA-N 1 1 495.062 4.276 20 0 JIADMO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H](C)C1(F)F ZINC001316500758 1066460821 /nfs/dbraw/zinc/46/08/21/1066460821.db2.gz NCWJRUUMMVBNJU-KDURUIRLSA-N 1 1 495.062 4.276 20 0 JIADMO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H](C)C1(F)F ZINC001316500758 1066460823 /nfs/dbraw/zinc/46/08/23/1066460823.db2.gz NCWJRUUMMVBNJU-KDURUIRLSA-N 1 1 495.062 4.276 20 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WEPMANUGVIQRHM-SZPZYZBQSA-N 1 1 493.700 4.154 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCc2cnn(C)c2)C[C@H](C)O1 ZINC001316504164 1066474637 /nfs/dbraw/zinc/47/46/37/1066474637.db2.gz WEPMANUGVIQRHM-SZPZYZBQSA-N 1 1 493.700 4.154 20 0 JIADMO C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001316505730 1066480154 /nfs/dbraw/zinc/48/01/54/1066480154.db2.gz WOMRIVYTLHKTQQ-XUZZJYLKSA-N 1 1 483.701 4.483 20 0 JIADMO O=C(c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001338046661 1066527316 /nfs/dbraw/zinc/52/73/16/1066527316.db2.gz PJBGAUWKHJXVMF-SFHVURJKSA-N 1 1 468.406 4.105 20 0 JIADMO O=C(c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001338046661 1066527327 /nfs/dbraw/zinc/52/73/27/1066527327.db2.gz PJBGAUWKHJXVMF-SFHVURJKSA-N 1 1 468.406 4.105 20 0 JIADMO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)cc1 ZINC001338429391 1066554859 /nfs/dbraw/zinc/55/48/59/1066554859.db2.gz JPXSZKHFYDSKJN-IBGZPJMESA-N 1 1 495.649 4.364 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)NC3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)c2)CC1 ZINC001338461364 1066557734 /nfs/dbraw/zinc/55/77/34/1066557734.db2.gz SSDKBQORTCRMSG-ROUUACIJSA-N 1 1 480.497 4.143 20 0 JIADMO C[C@@H]1CCc2nc(NC(=O)NCc3cccc(OCC[N@@H+](C)C4CCOCC4)c3)sc2C1 ZINC001338478377 1066558515 /nfs/dbraw/zinc/55/85/15/1066558515.db2.gz RQWKGZDRKRTZEA-QGZVFWFLSA-N 1 1 458.628 4.079 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)C1 ZINC001338708568 1066567763 /nfs/dbraw/zinc/56/77/63/1066567763.db2.gz FCMIJRJCISJVMQ-SFHVURJKSA-N 1 1 473.415 4.233 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)OCCOc1ccc2c(c1)CCC(=O)N2 ZINC001341770761 1066589105 /nfs/dbraw/zinc/58/91/05/1066589105.db2.gz JRWRCSPWWCDCAV-LJQANCHMSA-N 1 1 452.551 4.060 20 0 JIADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1 ZINC001341818212 1066589912 /nfs/dbraw/zinc/58/99/12/1066589912.db2.gz RWBOLFSRXLXMBY-NZQKXSOJSA-N 1 1 458.986 4.101 20 0 JIADMO COc1cc(-c2cc(C(=O)OC[C@H]3C[N@@H+](CC(C)C)CCO3)c3ccccc3n2)cc(OC)c1OC ZINC001341905218 1066591299 /nfs/dbraw/zinc/59/12/99/1066591299.db2.gz YTQAEURMPKXIIL-HXUWFJFHSA-N 1 1 494.588 4.441 20 0 JIADMO OCCCCCn1c(-c2ccccc2Br)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001316588532 1066615908 /nfs/dbraw/zinc/61/59/08/1066615908.db2.gz RILOXYOKMCZKQR-UHFFFAOYSA-N 1 1 490.471 4.254 20 0 JIADMO Cc1cnc([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001492540618 1066636407 /nfs/dbraw/zinc/63/64/07/1066636407.db2.gz YYVFDNGPOCAWOH-PCCBWWKXSA-N 1 1 498.697 4.280 20 0 JIADMO Cc1cnc([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001492540618 1066636413 /nfs/dbraw/zinc/63/64/13/1066636413.db2.gz YYVFDNGPOCAWOH-PCCBWWKXSA-N 1 1 498.697 4.280 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[C@H](C4CCOCC4)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001492540934 1066641942 /nfs/dbraw/zinc/64/19/42/1066641942.db2.gz CABUKPNDSGOEPR-QHCPKHFHSA-N 1 1 455.647 4.149 20 0 JIADMO Cc1cccc(OCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2C[C@](C)(O)CCC(C)C)c1 ZINC001492542378 1066656618 /nfs/dbraw/zinc/65/66/18/1066656618.db2.gz NAHBHMZWEQYWDY-AOJNWGRGSA-N 1 1 455.647 4.026 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001492542724 1066661098 /nfs/dbraw/zinc/66/10/98/1066661098.db2.gz RJQZZXICAGUTIG-ISKFKSNPSA-N 1 1 469.674 4.395 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001492544328 1066680587 /nfs/dbraw/zinc/68/05/87/1066680587.db2.gz LYAPGDUPUROCHA-OAQYLSRUSA-N 1 1 455.647 4.434 20 0 JIADMO Cc1cc(NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)ccc1N1CC[NH+](C)CC1 ZINC001317832656 1066717876 /nfs/dbraw/zinc/71/78/76/1066717876.db2.gz AKADJXVCXRMWPW-DEOSSOPVSA-N 1 1 456.034 4.359 20 0 JIADMO CCn1c(SCC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)nnc1-c1ccccc1C ZINC001317852379 1066733475 /nfs/dbraw/zinc/73/34/75/1066733475.db2.gz LVCGQMUVNCRVPW-UHFFFAOYSA-N 1 1 463.651 4.408 20 0 JIADMO O=C(Nc1ccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1)c1ccc(=O)[nH]c1 ZINC001317897087 1066767326 /nfs/dbraw/zinc/76/73/26/1066767326.db2.gz POCPEIKSTXAVLX-UHFFFAOYSA-N 1 1 466.541 4.151 20 0 JIADMO Cc1nn(-c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2)c(C)c1Br ZINC001348868354 1066784346 /nfs/dbraw/zinc/78/43/46/1066784346.db2.gz QGEKIROCODCTHH-NRFANRHFSA-N 1 1 453.384 4.381 20 0 JIADMO Cc1nn(-c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2)c(C)c1Br ZINC001348868354 1066784359 /nfs/dbraw/zinc/78/43/59/1066784359.db2.gz QGEKIROCODCTHH-NRFANRHFSA-N 1 1 453.384 4.381 20 0 JIADMO CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H](c3ccc(Cl)cc3)[NH+](C)C)cc2)CC1 ZINC001349091063 1066806477 /nfs/dbraw/zinc/80/64/77/1066806477.db2.gz SLNRHWMEJGCOMO-OAQYLSRUSA-N 1 1 450.004 4.002 20 0 JIADMO CCOC(=O)Cc1csc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)n1 ZINC001349434991 1066840951 /nfs/dbraw/zinc/84/09/51/1066840951.db2.gz SRPJKDJWPNYRAR-ATIYNZHBSA-N 1 1 463.603 4.277 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1 ZINC001318059372 1066876529 /nfs/dbraw/zinc/87/65/29/1066876529.db2.gz VOFNVAZYDMDMKY-OAQYLSRUSA-N 1 1 462.594 4.077 20 0 JIADMO CCc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)nnn1-c1ccc(OC(C)C)cc1 ZINC001349793226 1066883606 /nfs/dbraw/zinc/88/36/06/1066883606.db2.gz KCAJLOZRHUHBCV-QFIPXVFZSA-N 1 1 451.571 4.167 20 0 JIADMO O=C(NCc1ccc(-n2cnc3ccccc32)nc1)Nc1ccccc1C[NH+]1CCSCC1 ZINC001318097000 1066897769 /nfs/dbraw/zinc/89/77/69/1066897769.db2.gz NIPDXPZDJLNPPJ-UHFFFAOYSA-N 1 1 458.591 4.291 20 0 JIADMO C[NH+]1CCN(C(=O)c2ccc(CNc3nnc(-c4ccccc4)cc3C(F)(F)F)cc2)CC1 ZINC001318111957 1066905213 /nfs/dbraw/zinc/90/52/13/1066905213.db2.gz RKKVELDPWQFKDM-UHFFFAOYSA-N 1 1 455.484 4.162 20 0 JIADMO COc1ccc2c(c1)c(C(=O)Nc1ccc3[nH]c(CC[NH+]4CCOCC4)nc3c1)c(C)n2C1CC1 ZINC001318129939 1066914070 /nfs/dbraw/zinc/91/40/70/1066914070.db2.gz FJWKAYVUWSTCNY-UHFFFAOYSA-N 1 1 473.577 4.297 20 0 JIADMO CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCC[N@@H+](CCCc4ccccc4)CC3)c2)n1 ZINC001318164753 1066933040 /nfs/dbraw/zinc/93/30/40/1066933040.db2.gz ZYIDBPANUBMVOD-UHFFFAOYSA-N 1 1 475.593 4.221 20 0 JIADMO COC(=O)c1ccc(/C=C/C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)o1 ZINC001350238618 1066935879 /nfs/dbraw/zinc/93/58/79/1066935879.db2.gz TWEZCZWNBXRJPD-UXBLZVDNSA-N 1 1 454.523 4.291 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cccc(NC(=O)NCc4ccncc4)c3)CC2)cc1 ZINC001318189843 1066948877 /nfs/dbraw/zinc/94/88/77/1066948877.db2.gz YVYPGSMMAFQLFD-UHFFFAOYSA-N 1 1 486.620 4.129 20 0 JIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)C1 ZINC001318198312 1066953664 /nfs/dbraw/zinc/95/36/64/1066953664.db2.gz CHXLUXNPCCCSLU-XXBNENTESA-N 1 1 452.599 4.346 20 0 JIADMO O=C(CCN1C(=S)N=NC1c1cccs1)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318210555 1066960365 /nfs/dbraw/zinc/96/03/65/1066960365.db2.gz BENGREPREKIMLX-UHFFFAOYSA-N 1 1 467.624 4.186 20 0 JIADMO Cc1c(NC(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)cccc1OCC(F)(F)F ZINC001318225545 1066970118 /nfs/dbraw/zinc/97/01/18/1066970118.db2.gz FLZQMFFETZOBAF-UHFFFAOYSA-N 1 1 450.505 4.005 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CC=CC[C@H]3c3nc4ccccc4s3)c2)CC1 ZINC001318249092 1066982894 /nfs/dbraw/zinc/98/28/94/1066982894.db2.gz YJSDHGAGUSAEJF-DHIUTWEWSA-N 1 1 460.647 4.410 20 0 JIADMO C[N@@H+](CCOc1cccc(CNC(=O)c2cc3c(cccc3OC(F)(F)F)[nH]2)c1)C1CCOCC1 ZINC001318248718 1066983137 /nfs/dbraw/zinc/98/31/37/1066983137.db2.gz SSXIKJLWWRIMHD-UHFFFAOYSA-N 1 1 491.510 4.486 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC001318261492 1066989253 /nfs/dbraw/zinc/98/92/53/1066989253.db2.gz FAQCNYYAJGPOKG-IBGZPJMESA-N 1 1 460.582 4.431 20 0 JIADMO CCOCCOC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)CC1 ZINC001350702223 1066990386 /nfs/dbraw/zinc/99/03/86/1066990386.db2.gz YKULLGUZWHCKDB-RRPNLBNLSA-N 1 1 450.623 4.255 20 0 JIADMO O=C(NCc1cc(Br)cs1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001350798652 1067003145 /nfs/dbraw/zinc/00/31/45/1067003145.db2.gz GCTDEJXNHIGGLM-LEWJYISDSA-N 1 1 456.409 4.438 20 0 JIADMO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC001318305924 1067009476 /nfs/dbraw/zinc/00/94/76/1067009476.db2.gz JQEUXYBFDPDWQE-RUZDIDTESA-N 1 1 467.617 4.391 20 0 JIADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)NCCCCOc3ccccc3)CC2)c1C ZINC001318316159 1067013875 /nfs/dbraw/zinc/01/38/75/1067013875.db2.gz IJXVOTJDQYMQOO-UHFFFAOYSA-N 1 1 454.615 4.172 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2cccc(OC)c2OC)C1 ZINC001318355326 1067029938 /nfs/dbraw/zinc/02/99/38/1067029938.db2.gz UYHWAULQIVDIID-WMZHIEFXSA-N 1 1 464.610 4.348 20 0 JIADMO CN(CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)C(=O)c1ccc(Br)s1 ZINC001318417906 1067040830 /nfs/dbraw/zinc/04/08/30/1067040830.db2.gz MXCDNHKOXVAZNG-UHFFFAOYSA-N 1 1 490.427 4.084 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492548637 1067041122 /nfs/dbraw/zinc/04/11/22/1067041122.db2.gz HCTBHFDIEVSSFM-ZEQRLZLVSA-N 1 1 487.714 4.100 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3cc(Br)ccc3Br)c2)CC1 ZINC001318457388 1067044276 /nfs/dbraw/zinc/04/42/76/1067044276.db2.gz GVZCHFHXNVUPFD-UHFFFAOYSA-N 1 1 496.247 4.281 20 0 JIADMO C[N@@H+]1CCN(C(=O)Cc2ccc(Br)c(Br)c2)[C@H](c2ccccc2)C1 ZINC001351191132 1067058083 /nfs/dbraw/zinc/05/80/83/1067058083.db2.gz NBDVCHWKHYTFLU-SFHVURJKSA-N 1 1 452.190 4.269 20 0 JIADMO C[N@H+]1CCN(C(=O)Cc2ccc(Br)c(Br)c2)[C@H](c2ccccc2)C1 ZINC001351191132 1067058104 /nfs/dbraw/zinc/05/81/04/1067058104.db2.gz NBDVCHWKHYTFLU-SFHVURJKSA-N 1 1 452.190 4.269 20 0 JIADMO CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC001351237890 1067063113 /nfs/dbraw/zinc/06/31/13/1067063113.db2.gz UVGRPVFFSOHHOM-RXVVDRJESA-N 1 1 458.400 4.106 20 0 JIADMO CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC001351237890 1067063130 /nfs/dbraw/zinc/06/31/30/1067063130.db2.gz UVGRPVFFSOHHOM-RXVVDRJESA-N 1 1 458.400 4.106 20 0 JIADMO C[C@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001351237812 1067063453 /nfs/dbraw/zinc/06/34/53/1067063453.db2.gz SKBROHDDRMNBBB-UQBPGWFLSA-N 1 1 455.558 4.110 20 0 JIADMO C[C@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001351237812 1067063467 /nfs/dbraw/zinc/06/34/67/1067063467.db2.gz SKBROHDDRMNBBB-UQBPGWFLSA-N 1 1 455.558 4.110 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001354732210 1067067243 /nfs/dbraw/zinc/06/72/43/1067067243.db2.gz UYRVGCCIUOHQPW-JMUQELJHSA-N 1 1 453.583 4.141 20 0 JIADMO 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 1067068005 /nfs/dbraw/zinc/06/80/05/1067068005.db2.gz YDSGGZJEURPWPQ-CDMWWTFKSA-N 1 1 457.977 4.025 20 0 JIADMO O=C(c1ccccc1I)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001351278851 1067070126 /nfs/dbraw/zinc/07/01/26/1067070126.db2.gz NWPZQDWWBFSWDH-UHFFFAOYSA-N 1 1 456.327 4.402 20 0 JIADMO CN(C)c1cc[n+](C(C(=O)c2cccs2)C(=S)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC001319986703 1067084035 /nfs/dbraw/zinc/08/40/35/1067084035.db2.gz DLOOFCJVHNVOPA-UHFFFAOYSA-O 1 1 479.695 4.047 20 0 JIADMO CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001320672876 1067090712 /nfs/dbraw/zinc/09/07/12/1067090712.db2.gz GSLHKQLUOWEPLL-SANMLTNESA-N 1 1 490.673 4.129 20 0 JIADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC001351421136 1067092811 /nfs/dbraw/zinc/09/28/11/1067092811.db2.gz NFXIVAUNMYBXCZ-ZJSXRUAMSA-N 1 1 457.640 4.202 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)n1 ZINC001321333835 1067105827 /nfs/dbraw/zinc/10/58/27/1067105827.db2.gz BSTHHIAVJZKHEM-AREMUKBSSA-N 1 1 486.601 4.087 20 0 JIADMO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001351527770 1067119344 /nfs/dbraw/zinc/11/93/44/1067119344.db2.gz DUKQMWQPRRWVNB-QAPCUYQASA-N 1 1 455.352 4.429 20 0 JIADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)c2ccc(-c3cccs3)s2)c1 ZINC001354812292 1067132511 /nfs/dbraw/zinc/13/25/11/1067132511.db2.gz JGKAWRRDNWHOST-UHFFFAOYSA-N 1 1 455.605 4.067 20 0 JIADMO Fc1cc(Br)cc(Br)c1NC(=S)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001200799109 1067180033 /nfs/dbraw/zinc/18/00/33/1067180033.db2.gz JLVKFQNITKJXSO-LLVKDONJSA-N 1 1 451.203 4.218 20 0 JIADMO COc1ccc([C@H](CNC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)[NH+]2CCCCC2)cc1 ZINC001321654276 1067190441 /nfs/dbraw/zinc/19/04/41/1067190441.db2.gz HDDSODROYNGXEP-SANMLTNESA-N 1 1 465.642 4.104 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)c1 ZINC001321959487 1067233038 /nfs/dbraw/zinc/23/30/38/1067233038.db2.gz HFGFHBKOEXMCCZ-HXUWFJFHSA-N 1 1 454.983 4.089 20 0 JIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)c1 ZINC001321959487 1067233060 /nfs/dbraw/zinc/23/30/60/1067233060.db2.gz HFGFHBKOEXMCCZ-HXUWFJFHSA-N 1 1 454.983 4.089 20 0 JIADMO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001300753421 1067278650 /nfs/dbraw/zinc/27/86/50/1067278650.db2.gz HYFRAXCXNNMUTM-QHAWAJNXSA-N 1 1 459.610 4.437 20 0 JIADMO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc4nc(CN5CCCCC5)[nH]c4c3)cc2)CC1 ZINC001322392683 1067286106 /nfs/dbraw/zinc/28/61/06/1067286106.db2.gz LAGQXGFQECKZPS-UHFFFAOYSA-N 1 1 460.626 4.332 20 0 JIADMO COc1cc([C@@H](C)NC(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)ccc1OCC(C)C ZINC001322424563 1067290435 /nfs/dbraw/zinc/29/04/35/1067290435.db2.gz WAJVFEWKPZSNJQ-OAQYLSRUSA-N 1 1 468.642 4.038 20 0 JIADMO COC(=O)/C=C/c1ccc(OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c(OC)c1 ZINC001352118978 1067291557 /nfs/dbraw/zinc/29/15/57/1067291557.db2.gz VZUIEJZMDPPKGQ-IJDCVRSUSA-N 1 1 472.541 4.098 20 0 JIADMO COc1cc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc(OC)c1OC ZINC001352134607 1067296487 /nfs/dbraw/zinc/29/64/87/1067296487.db2.gz WBPMQRVANSDPOY-FUFSCUOVSA-N 1 1 474.601 4.419 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001300761567 1067301254 /nfs/dbraw/zinc/30/12/54/1067301254.db2.gz QGTAAZMYWOGIHA-PKOBYXMFSA-N 1 1 482.456 4.368 20 0 JIADMO CCCN(C(=O)c1cc(N2CCNC2=O)ccc1Cl)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001352178282 1067306707 /nfs/dbraw/zinc/30/67/07/1067306707.db2.gz ZUBONDASDCMCAU-OAQYLSRUSA-N 1 1 455.002 4.386 20 0 JIADMO Cc1ccccc1Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001492579342 1067313621 /nfs/dbraw/zinc/31/36/21/1067313621.db2.gz INKYYWFBHZNZFH-URXFXBBRSA-N 1 1 496.700 4.401 20 0 JIADMO Cc1ccccc1-n1ncc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c1C(C)C ZINC001352237852 1067315074 /nfs/dbraw/zinc/31/50/74/1067315074.db2.gz MQROFNTYDSBUOU-NRFANRHFSA-N 1 1 459.594 4.254 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001300771577 1067320089 /nfs/dbraw/zinc/32/00/89/1067320089.db2.gz COZXNPRRHJQBDK-WOIUINJBSA-N 1 1 462.038 4.246 20 0 JIADMO CO[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001300771764 1067320392 /nfs/dbraw/zinc/32/03/92/1067320392.db2.gz FBLNOLSHCLOBCD-VWNXMTODSA-N 1 1 455.647 4.354 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC001492495239 1067322986 /nfs/dbraw/zinc/32/29/86/1067322986.db2.gz SNLGRUNTIRQOMW-HXUWFJFHSA-N 1 1 465.621 4.011 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)n1 ZINC001492495239 1067322997 /nfs/dbraw/zinc/32/29/97/1067322997.db2.gz SNLGRUNTIRQOMW-HXUWFJFHSA-N 1 1 465.621 4.011 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)n1 ZINC001492495239 1067323010 /nfs/dbraw/zinc/32/30/10/1067323010.db2.gz SNLGRUNTIRQOMW-HXUWFJFHSA-N 1 1 465.621 4.011 20 0 JIADMO Cc1c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)nnn1CCOc1ccc(F)cc1 ZINC001354993149 1067323938 /nfs/dbraw/zinc/32/39/38/1067323938.db2.gz 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GYANIJITHXZVDA-NIYFSFCBSA-N 1 1 450.583 4.159 20 0 JIADMO C[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)[N@H+]1CCCC[C@H]1C ZINC001200851975 1067357161 /nfs/dbraw/zinc/35/71/61/1067357161.db2.gz RFUUNFPCNPHGFQ-MOPGFXCFSA-N 1 1 450.649 4.024 20 0 JIADMO Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CCN(C(=S)Nc2ccccc2Cl)CC1 ZINC001200855033 1067362984 /nfs/dbraw/zinc/36/29/84/1067362984.db2.gz ZRHJAZHKEYZUQK-UHFFFAOYSA-N 1 1 457.043 4.287 20 0 JIADMO COc1ccc(-c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CCC[NH+]2CCOCC2)cc1OC ZINC001300017288 1067378693 /nfs/dbraw/zinc/37/86/93/1067378693.db2.gz QTFQEALLCFWTSF-FQEVSTJZSA-N 1 1 471.646 4.090 20 0 JIADMO COc1ccc(-c2nnc(N(Cc3ccco3)C(C)C)n2CC[N@H+]2CCC[C@@H]2C)c(OC)c1 ZINC001300017644 1067379790 /nfs/dbraw/zinc/37/97/90/1067379790.db2.gz ZXCPFJMKQHEZDZ-IBGZPJMESA-N 1 1 453.587 4.455 20 0 JIADMO COc1ccc(-c2nnc(N(C)OC3CCCC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1OC ZINC001300017730 1067380098 /nfs/dbraw/zinc/38/00/98/1067380098.db2.gz USSLSRCLACZNNM-JOCHJYFZSA-N 1 1 457.619 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Cc1cc(C)c(CC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)c(C)c1Br ZINC001355240839 1067394550 /nfs/dbraw/zinc/39/45/50/1067394550.db2.gz UCMYCFVMSBWHTP-FQEVSTJZSA-N 1 1 458.400 4.005 20 0 JIADMO COc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c(OC)c1 ZINC001300032956 1067429581 /nfs/dbraw/zinc/42/95/81/1067429581.db2.gz JTFAOLCINITDJL-RBBKRZOGSA-N 1 1 485.673 4.192 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CCC[N@@H+](C)C2CCCCC2)cc1 ZINC001300038066 1067450144 /nfs/dbraw/zinc/45/01/44/1067450144.db2.gz KPNQAZHDVTVWDP-UHFFFAOYSA-N 1 1 496.700 4.303 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCc2cccnc2)c(OC)c1 ZINC001300040179 1067459835 /nfs/dbraw/zinc/45/98/35/1067459835.db2.gz HUZZEURZVFVIJU-UHFFFAOYSA-N 1 1 478.641 4.157 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H]2CCO[C@@H](C)C2)cc1OC ZINC001300040284 1067460696 /nfs/dbraw/zinc/46/06/96/1067460696.db2.gz KFTBTPSZIGAPHE-RBBKRZOGSA-N 1 1 485.673 4.334 20 0 JIADMO 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Cc1ccccc1Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CC[N@H+](C)C1CCCC1 ZINC001492584387 1067562249 /nfs/dbraw/zinc/56/22/49/1067562249.db2.gz JTMVZKKPAVTWIL-QHCPKHFHSA-N 1 1 494.728 4.430 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CC(C)(C)NC(=O)OCc2ccccc2)C[C@H](C)O1 ZINC001355721440 1067563405 /nfs/dbraw/zinc/56/34/05/1067563405.db2.gz YAPVIXWTQIJLAH-BGYRXZFFSA-N 1 1 453.583 4.329 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CC(C)(C)NC(=O)OCc2ccccc2)C[C@H](C)O1 ZINC001355721440 1067563425 /nfs/dbraw/zinc/56/34/25/1067563425.db2.gz YAPVIXWTQIJLAH-BGYRXZFFSA-N 1 1 453.583 4.329 20 0 JIADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@@H](C)C(=O)NCc2ccccc2)c1 ZINC001355735407 1067568028 /nfs/dbraw/zinc/56/80/28/1067568028.db2.gz LXNGEGHCTFNTDX-WDDWZANVSA-N 1 1 455.602 4.032 20 0 JIADMO COc1ccc(-c2nnc(N3CCCO[C@H](C)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300063494 1067573178 /nfs/dbraw/zinc/57/31/78/1067573178.db2.gz SZFCZZOLQKFGJO-QHAWAJNXSA-N 1 1 455.647 4.325 20 0 JIADMO 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COc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300077982 1067610172 /nfs/dbraw/zinc/61/01/72/1067610172.db2.gz DOKJZPIWYIZOCY-YLJYHZDGSA-N 1 1 481.563 4.232 20 0 JIADMO COc1ccc(-c2nnc(N3CCSC(C)(C)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC001300084990 1067625925 /nfs/dbraw/zinc/62/59/25/1067625925.db2.gz ILCWEVYDPQTHIJ-LJQANCHMSA-N 1 1 473.687 4.415 20 0 JIADMO Cc1cccc(C)c1OC[C@@H](C)NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC001200108335 1067639988 /nfs/dbraw/zinc/63/99/88/1067639988.db2.gz XBLSGEHJCYKWCK-OAQYLSRUSA-N 1 1 450.583 4.179 20 0 JIADMO COc1ccc([C@@H]2CCCN2c2nnc(CC(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300098557 1067666354 /nfs/dbraw/zinc/66/63/54/1067666354.db2.gz LSXCIGLTYKEKNV-IMSXRSKXSA-N 1 1 455.647 4.326 20 0 JIADMO COc1ccc([C@H]2CCCN2c2nnc(CC(C)(C)C)n2CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC001300099270 1067670298 /nfs/dbraw/zinc/67/02/98/1067670298.db2.gz VLIRCLOIDHFESW-LADGPHEKSA-N 1 1 469.674 4.454 20 0 JIADMO COc1ccc(C[C@H](C)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300099551 1067671616 /nfs/dbraw/zinc/67/16/16/1067671616.db2.gz HOAOBHKMSZMKKW-GBXCKJPGSA-N 1 1 477.657 4.179 20 0 JIADMO C[C@@H](c1ccc(NC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)cc1)[NH+]1CCOCC1 ZINC001200120675 1067677492 /nfs/dbraw/zinc/67/74/92/1067677492.db2.gz BGOONXBTIMLWRS-IBGZPJMESA-N 1 1 459.550 4.049 20 0 JIADMO COc1ccc(CN(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)[C@H](CO)C(C)C)cc1 ZINC001200120997 1067678757 /nfs/dbraw/zinc/67/87/57/1067678757.db2.gz DUOUFWOQPRMKQA-NBGIEHNGSA-N 1 1 455.599 4.139 20 0 JIADMO COc1ccc(C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC001300102803 1067681280 /nfs/dbraw/zinc/68/12/80/1067681280.db2.gz KHXNYCBGTVXTTJ-NRFANRHFSA-N 1 1 464.658 4.482 20 0 JIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCC3(c4ccccc4Cl)CCOCC3)cc2)C[C@H](C)O1 ZINC001352754802 1067697066 /nfs/dbraw/zinc/69/70/66/1067697066.db2.gz GUYRRTVNUBRVPC-PMACEKPBSA-N 1 1 457.014 4.427 20 0 JIADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1c(Cl)ccc(Cl)c1Cl ZINC001356231385 1067700983 /nfs/dbraw/zinc/70/09/83/1067700983.db2.gz MTFNCZIMNRBZOQ-UHFFFAOYSA-N 1 1 456.757 4.295 20 0 JIADMO COc1ccc(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1 ZINC001300107779 1067701575 /nfs/dbraw/zinc/70/15/75/1067701575.db2.gz JSOCNKQYKXDIDU-DEOSSOPVSA-N 1 1 496.744 4.359 20 0 JIADMO COc1ccc(CCc2nnc(N(C)CC(C)(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001300111916 1067713465 /nfs/dbraw/zinc/71/34/65/1067713465.db2.gz TWHGVDRBRDTMIU-NRFANRHFSA-N 1 1 457.663 4.055 20 0 JIADMO CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001356288058 1067716757 /nfs/dbraw/zinc/71/67/57/1067716757.db2.gz WMKIDAZGOSQSRK-GOSISDBHSA-N 1 1 458.400 4.044 20 0 JIADMO COc1ccc(CCc2nnc(N(C)Cc3cnccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300114284 1067721669 /nfs/dbraw/zinc/72/16/69/1067721669.db2.gz NINNCDPGMPFLCZ-NRFANRHFSA-N 1 1 477.657 4.009 20 0 JIADMO CC(C)(CNC(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1)[N@H+]1CCc2ccccc2C1 ZINC001200135367 1067725671 /nfs/dbraw/zinc/72/56/71/1067725671.db2.gz CTRJHXMESXENDF-UHFFFAOYSA-N 1 1 454.468 4.319 20 0 JIADMO CCCNC(=O)c1cccc(C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)c1 ZINC001356362601 1067735390 /nfs/dbraw/zinc/73/53/90/1067735390.db2.gz BLNHHDVPFRKWFG-KRWDZBQOSA-N 1 1 454.546 4.031 20 0 JIADMO CCCNC(=O)c1cccc(C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)c1 ZINC001356362601 1067735401 /nfs/dbraw/zinc/73/54/01/1067735401.db2.gz BLNHHDVPFRKWFG-KRWDZBQOSA-N 1 1 454.546 4.031 20 0 JIADMO COc1ccccc1COC1CCN(C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC001356379212 1067740177 /nfs/dbraw/zinc/74/01/77/1067740177.db2.gz XJYPSROBWNTGKM-OYRHEFFESA-N 1 1 452.595 4.126 20 0 JIADMO COc1ccccc1COC1CCN(C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC001356379212 1067740186 /nfs/dbraw/zinc/74/01/86/1067740186.db2.gz XJYPSROBWNTGKM-OYRHEFFESA-N 1 1 452.595 4.126 20 0 JIADMO COc1ccc(CCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001300125906 1067751504 /nfs/dbraw/zinc/75/15/04/1067751504.db2.gz NHJWSBQDNDAYEB-ILBGXUMGSA-N 1 1 469.674 4.054 20 0 JIADMO COc1ccc(CCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001300125912 1067751603 /nfs/dbraw/zinc/75/16/03/1067751603.db2.gz NHJWSBQDNDAYEB-ZCYQVOJMSA-N 1 1 469.674 4.054 20 0 JIADMO COc1ccc(CCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001300125910 1067751795 /nfs/dbraw/zinc/75/17/95/1067751795.db2.gz NHJWSBQDNDAYEB-UKILVPOCSA-N 1 1 469.674 4.054 20 0 JIADMO Cc1ccc(NC(=S)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(Br)c1 ZINC001200147028 1067757762 /nfs/dbraw/zinc/75/77/62/1067757762.db2.gz HNEAYFGIBHWOFA-UHFFFAOYSA-N 1 1 489.483 4.464 20 0 JIADMO COC(=O)[C@]1(NC(=S)Nc2ccc(C)cc2Br)CCC[N@@H+](Cc2ccccc2)C1 ZINC001200157055 1067779084 /nfs/dbraw/zinc/77/90/84/1067779084.db2.gz XBABWAHRKMKUOF-QFIPXVFZSA-N 1 1 476.440 4.252 20 0 JIADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1nc(C)ccc1Br ZINC001356622849 1067793869 /nfs/dbraw/zinc/79/38/69/1067793869.db2.gz CZOOTXOWMPSUSH-SFHVURJKSA-N 1 1 454.372 4.357 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001492584456 1067798697 /nfs/dbraw/zinc/79/86/97/1067798697.db2.gz LDKSDIZTYLLNBN-PKTZIBPZSA-N 1 1 496.700 4.403 20 0 JIADMO C[N@@H+](CCC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1)C1CCCCC1 ZINC001300154133 1067810465 /nfs/dbraw/zinc/81/04/65/1067810465.db2.gz LUCAKXWDPHRUFE-KSEOMHKRSA-N 1 1 451.652 4.094 20 0 JIADMO COc1ccc(CCn2c(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)nnc2C(C)(C)C)cc1 ZINC001300156221 1067812598 /nfs/dbraw/zinc/81/25/98/1067812598.db2.gz SSDUNRAYRIWFIT-XUZZJYLKSA-N 1 1 479.673 4.080 20 0 JIADMO 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 1067819296 /nfs/dbraw/zinc/81/92/96/1067819296.db2.gz UVUKMRWNVBFYPU-ZRCGQRJVSA-N 1 1 459.631 4.044 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3ccc(C)o3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC001300164965 1067822653 /nfs/dbraw/zinc/82/26/53/1067822653.db2.gz YLWHVNRPKAIUBI-HXUWFJFHSA-N 1 1 483.613 4.001 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CC[N@H+](C)C(C)C ZINC001492585440 1067828668 /nfs/dbraw/zinc/82/86/68/1067828668.db2.gz HBEINVJCMADDAI-UHFFFAOYSA-N 1 1 480.701 4.137 20 0 JIADMO Cc1cccc(Cl)c1NC(=S)N[C@@H]1CC[N@H+](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001200205383 1067842699 /nfs/dbraw/zinc/84/26/99/1067842699.db2.gz CIKAEWHMFJDFFL-MRXNPFEDSA-N 1 1 453.052 4.409 20 0 JIADMO O=C(NCC1(c2ccc(Br)cc2)CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357411605 1067845761 /nfs/dbraw/zinc/84/57/61/1067845761.db2.gz SDBAIMCVKCOBFQ-HXUWFJFHSA-N 1 1 457.412 4.136 20 0 JIADMO C[C@H](c1ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1)[NH+]1CCOCC1 ZINC001353055250 1067846875 /nfs/dbraw/zinc/84/68/75/1067846875.db2.gz CGZCOZOKGKGVIS-XXBNENTESA-N 1 1 453.583 4.327 20 0 JIADMO C[C@H](c1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cc1)[NH+]1CCOCC1 ZINC001353057315 1067848401 /nfs/dbraw/zinc/84/84/01/1067848401.db2.gz VBEHLEMLAOHSRS-VVWXKSFDSA-N 1 1 459.949 4.030 20 0 JIADMO COc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[N@H+](C(C)C)CC2)cc1F ZINC001300192127 1067857206 /nfs/dbraw/zinc/85/72/06/1067857206.db2.gz RNHIDIKJFAFBAG-UHFFFAOYSA-N 1 1 491.409 4.152 20 0 JIADMO CCCN(C(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357512927 1067862585 /nfs/dbraw/zinc/86/25/85/1067862585.db2.gz ZOBMLGYCJFKRHB-RPBOFIJWSA-N 1 1 456.652 4.108 20 0 JIADMO CCCN(C(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357512927 1067862587 /nfs/dbraw/zinc/86/25/87/1067862587.db2.gz ZOBMLGYCJFKRHB-RPBOFIJWSA-N 1 1 456.652 4.108 20 0 JIADMO Cc1cc(Br)cc(C)c1NC(=S)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001200221978 1067864090 /nfs/dbraw/zinc/86/40/90/1067864090.db2.gz NNMXDOUEZLMVRA-UXHICEINSA-N 1 1 475.456 4.133 20 0 JIADMO Cc1cccc(CO[C@@H]2C[C@@H]3CN(C(=S)Nc4c(C)cc(Br)cc4C)CC[N@H+]3C2)n1 ZINC001200223214 1067867412 /nfs/dbraw/zinc/86/74/12/1067867412.db2.gz UEGAIYLUQCVZOJ-NHCUHLMSSA-N 1 1 489.483 4.441 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)Cc2ccc(Br)o2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001492557336 1067871324 /nfs/dbraw/zinc/87/13/24/1067871324.db2.gz HCOQQOPPHYHVQB-UHFFFAOYSA-N 1 1 488.430 4.356 20 0 JIADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)cc1)C[C@@H]1CCCCO1 ZINC001357599136 1067876098 /nfs/dbraw/zinc/87/60/98/1067876098.db2.gz KFNVDJNXPNGNKD-BJKOFHAPSA-N 1 1 453.583 4.281 20 0 JIADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)cc1)C[C@H]1CCCCO1 ZINC001357599137 1067876192 /nfs/dbraw/zinc/87/61/92/1067876192.db2.gz KFNVDJNXPNGNKD-DNQXCXABSA-N 1 1 453.583 4.281 20 0 JIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2Br)C1 ZINC001357630822 1067879537 /nfs/dbraw/zinc/87/95/37/1067879537.db2.gz KKHGGEUZKUSYBI-FXAWDEMLSA-N 1 1 453.384 4.259 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cnc(-c4cccc(Cl)c4)s3)cc2)C1 ZINC001357644554 1067881786 /nfs/dbraw/zinc/88/17/86/1067881786.db2.gz KYRMBPZRXGUZAQ-KRWDZBQOSA-N 1 1 454.983 4.413 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cnc(-c4cccc(Cl)c4)s3)cc2)C1 ZINC001357644555 1067881845 /nfs/dbraw/zinc/88/18/45/1067881845.db2.gz KYRMBPZRXGUZAQ-QGZVFWFLSA-N 1 1 454.983 4.413 20 0 JIADMO COc1ccc(Cn2c(CC(C)C)nnc2N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(OC)c1OC ZINC001300216328 1067886695 /nfs/dbraw/zinc/88/66/95/1067886695.db2.gz VNFQWPICQRQEOX-IBGZPJMESA-N 1 1 499.681 4.495 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCCCO2)n1CCCn1cc[nH+]c1C ZINC001300237268 1067931759 /nfs/dbraw/zinc/93/17/59/1067931759.db2.gz GVSBUDXZXPGALF-NRFANRHFSA-N 1 1 458.994 4.413 20 0 JIADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)c3ncoc3-c3ccc(F)cc3)cc2)C[C@H]1C ZINC001357908232 1067938559 /nfs/dbraw/zinc/93/85/59/1067938559.db2.gz ZSOHVJGOBKNOKY-KDURUIRLSA-N 1 1 451.542 4.420 20 0 JIADMO Cc1ccc(NC(=O)c2ccc(C(=O)OC(C)(C)C)cn2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001358011858 1067984510 /nfs/dbraw/zinc/98/45/10/1067984510.db2.gz SBEHEECLRSYQRU-UHFFFAOYSA-N 1 1 452.555 4.022 20 0 JIADMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC001473345670 1068001156 /nfs/dbraw/zinc/00/11/56/1068001156.db2.gz YBKPYFXLFHPVAY-UHFFFAOYSA-N 1 1 459.612 4.061 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCc3ccccc3Br)cc2)C1 ZINC001358073210 1068011072 /nfs/dbraw/zinc/01/10/72/1068011072.db2.gz XDBKRLLLIWGPCA-IBGZPJMESA-N 1 1 458.400 4.108 20 0 JIADMO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001353309658 1068020402 /nfs/dbraw/zinc/02/04/02/1068020402.db2.gz SRODRPJHQWEISR-NRFANRHFSA-N 1 1 453.892 4.192 20 0 JIADMO C[C@@H](CNC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001200304510 1068026396 /nfs/dbraw/zinc/02/63/96/1068026396.db2.gz HHQMGPOAGFWMTN-FQEVSTJZSA-N 1 1 451.592 4.303 20 0 JIADMO C[C@@H](CNC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001200304510 1068026408 /nfs/dbraw/zinc/02/64/08/1068026408.db2.gz HHQMGPOAGFWMTN-FQEVSTJZSA-N 1 1 451.592 4.303 20 0 JIADMO COc1ccc(OCc2nnc(N(C)C3CCC(C)CC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300265437 1068035490 /nfs/dbraw/zinc/03/54/90/1068035490.db2.gz VBSWGQGVJPFLOB-XXXUMOOBSA-N 1 1 485.673 4.380 20 0 JIADMO 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 1068039497 /nfs/dbraw/zinc/03/94/97/1068039497.db2.gz UDVNRLSSJMTHKO-FNHZYXHNSA-N 1 1 454.949 4.366 20 0 JIADMO COc1ccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001300272346 1068053247 /nfs/dbraw/zinc/05/32/47/1068053247.db2.gz PMOXKMGQPJAXND-QGZVFWFLSA-N 1 1 467.536 4.129 20 0 JIADMO COCCc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)cc2)cc1 ZINC001200314901 1068054282 /nfs/dbraw/zinc/05/42/82/1068054282.db2.gz OAAIBZOSJOIICZ-JWQCQUIFSA-N 1 1 453.583 4.433 20 0 JIADMO 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JIADMO CCn1cc(C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)c(C(F)(F)F)n1 ZINC001353632748 1068383813 /nfs/dbraw/zinc/38/38/13/1068383813.db2.gz WMGRREUMVXQNSP-CYBMUJFWSA-N 1 1 455.456 4.126 20 0 JIADMO CCn1cc(C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)c(C(F)(F)F)n1 ZINC001353632748 1068383830 /nfs/dbraw/zinc/38/38/30/1068383830.db2.gz WMGRREUMVXQNSP-CYBMUJFWSA-N 1 1 455.456 4.126 20 0 JIADMO COc1cccc(-c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC001300374618 1068440417 /nfs/dbraw/zinc/44/04/17/1068440417.db2.gz IGXHKKHDSGEYOL-QFIPXVFZSA-N 1 1 496.700 4.207 20 0 JIADMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)C2 ZINC001300380101 1068465736 /nfs/dbraw/zinc/46/57/36/1068465736.db2.gz ZHYNFNYIZXSFQI-YBXDKENTSA-N 1 1 459.606 4.334 20 0 JIADMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)C2 ZINC001300380101 1068465752 /nfs/dbraw/zinc/46/57/52/1068465752.db2.gz ZHYNFNYIZXSFQI-YBXDKENTSA-N 1 1 459.606 4.334 20 0 JIADMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)C2 ZINC001300380100 1068465899 /nfs/dbraw/zinc/46/58/99/1068465899.db2.gz ZHYNFNYIZXSFQI-HXAGEGRHSA-N 1 1 459.606 4.334 20 0 JIADMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)C2 ZINC001300380100 1068465916 /nfs/dbraw/zinc/46/59/16/1068465916.db2.gz ZHYNFNYIZXSFQI-HXAGEGRHSA-N 1 1 459.606 4.334 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001300382840 1068472653 /nfs/dbraw/zinc/47/26/53/1068472653.db2.gz YZJQKCPKLKOEFH-OAQYLSRUSA-N 1 1 481.563 4.376 20 0 JIADMO COc1cccc(-c2nnc(N3CCN(C(C)=O)C4(CCCCC4)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001300388842 1068498427 /nfs/dbraw/zinc/49/84/27/1068498427.db2.gz KPSYPDAAIFNUMV-UHFFFAOYSA-N 1 1 482.673 4.055 20 0 JIADMO COc1cccc([C@H]2CCCN2c2nnc(C(C)(C)C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001300398664 1068545190 /nfs/dbraw/zinc/54/51/90/1068545190.db2.gz DMIJHNMOIJRATB-DHIUTWEWSA-N 1 1 455.647 4.283 20 0 JIADMO COc1cccc(C=C2CCN(c3nnc(C(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)c1 ZINC001300406198 1068570024 /nfs/dbraw/zinc/57/00/24/1068570024.db2.gz BMJFMWFCHDSZBD-RUZDIDTESA-N 1 1 467.658 4.451 20 0 JIADMO COc1cccc(C=C2CCN(c3nnc([C@H]4CCCOC4)n3CC[N@@H+](C)C(C)C)CC2)c1 ZINC001300407420 1068579597 /nfs/dbraw/zinc/57/95/97/1068579597.db2.gz FOFPTPRJGIAZNO-QHCPKHFHSA-N 1 1 453.631 4.205 20 0 JIADMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)NCCCNc2ccc(C(F)(F)F)cn2)C[C@@H](C)O1 ZINC000503410025 1068605149 /nfs/dbraw/zinc/60/51/49/1068605149.db2.gz YQRWFZULXLSJTK-QZTJIDSGSA-N 1 1 479.547 4.011 20 0 JIADMO COc1cccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCC[C@H](C)C2)c1 ZINC001300419799 1068626729 /nfs/dbraw/zinc/62/67/29/1068626729.db2.gz LIXQYOXYHYXMSD-SFHVURJKSA-N 1 1 455.006 4.370 20 0 JIADMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)C2(c3ccccc3Cl)CCC2)ccc1F ZINC001353827239 1068631671 /nfs/dbraw/zinc/63/16/71/1068631671.db2.gz BWRFOTYKLYOFCU-UHFFFAOYSA-N 1 1 459.949 4.200 20 0 JIADMO CCOC(=O)N1[C@H](C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[C@H]1c1ccc(C)o1 ZINC001353844530 1068654494 /nfs/dbraw/zinc/65/44/94/1068654494.db2.gz GJPSQGIHSKWBIW-OIBXWCBGSA-N 1 1 453.583 4.373 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001353845951 1068655375 /nfs/dbraw/zinc/65/53/75/1068655375.db2.gz PTGZWXXJJMCNSB-QPPBQGQZSA-N 1 1 451.611 4.245 20 0 JIADMO COc1cccc(N2CCN(c3nnc(CC4CCCC4)n3CCC[N@@H+](C)C(C)C)CC2)c1 ZINC001300443324 1068727219 /nfs/dbraw/zinc/72/72/19/1068727219.db2.gz ZDRAWMPUJXEDME-UHFFFAOYSA-N 1 1 454.663 4.076 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(C(C)C)n3C[C@@H]3CCCO[C@@H]3C(C)(C)C)CC2)c1 ZINC001300452678 1068762062 /nfs/dbraw/zinc/76/20/62/1068762062.db2.gz ZXDFUMONSAIBGQ-DHLKQENFSA-N 1 1 499.700 4.452 20 0 JIADMO CCNC(=O)c1cccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001353947132 1068785407 /nfs/dbraw/zinc/78/54/07/1068785407.db2.gz GOIGJSDHSNNXGC-GGXMVOPNSA-N 1 1 455.602 4.142 20 0 JIADMO C[C@@]1(NC(=O)Nc2ccc(OCCC(N)=O)cc2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001200515334 1068803598 /nfs/dbraw/zinc/80/35/98/1068803598.db2.gz DJKPCUGABATWDE-LBNVMWSVSA-N 1 1 472.589 4.121 20 0 JIADMO COc1ccccc1-c1nnc(N(C)C[C@H]2CCCO2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300474154 1068820460 /nfs/dbraw/zinc/82/04/60/1068820460.db2.gz VEKZUCSPBBKGIE-BHIFYINESA-N 1 1 455.647 4.327 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001492565997 1068821295 /nfs/dbraw/zinc/82/12/95/1068821295.db2.gz KZCNIDPCNUGPTE-GOTSBHOMSA-N 1 1 466.674 4.115 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](C)c1ncc(C)s1 ZINC001300474720 1068821786 /nfs/dbraw/zinc/82/17/86/1068821786.db2.gz LTTYHAVMIMISMO-QRVBRYPASA-N 1 1 484.670 4.068 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](C)c1ncc(C)s1 ZINC001300474720 1068821792 /nfs/dbraw/zinc/82/17/92/1068821792.db2.gz LTTYHAVMIMISMO-QRVBRYPASA-N 1 1 484.670 4.068 20 0 JIADMO CCn1ncc(Br)c1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001354000610 1068826725 /nfs/dbraw/zinc/82/67/25/1068826725.db2.gz VHBXZLVQQLDGME-GOSISDBHSA-N 1 1 459.413 4.256 20 0 JIADMO CCn1ncc(Br)c1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001354000610 1068826729 /nfs/dbraw/zinc/82/67/29/1068826729.db2.gz VHBXZLVQQLDGME-GOSISDBHSA-N 1 1 459.413 4.256 20 0 JIADMO COc1ccccc1-c1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1CC[N@@H+](C)C(C)C ZINC001300480307 1068833028 /nfs/dbraw/zinc/83/30/28/1068833028.db2.gz XWGCFXRGFGVSHY-PGRDOPGGSA-N 1 1 455.628 4.322 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(C(C)C)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300481764 1068836942 /nfs/dbraw/zinc/83/69/42/1068836942.db2.gz SAUXACUIOCGHIL-OYRHEFFESA-N 1 1 455.647 4.325 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCC[N@H+](C)C(C)C ZINC001492567920 1068837971 /nfs/dbraw/zinc/83/79/71/1068837971.db2.gz HQTHUTOXPHJKLE-OAQYLSRUSA-N 1 1 470.662 4.429 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 ZINC001354028933 1068842717 /nfs/dbraw/zinc/84/27/17/1068842717.db2.gz FAJVPAOMPCQDGU-CQSZACIVSA-N 1 1 458.440 4.342 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001492568367 1068844182 /nfs/dbraw/zinc/84/41/82/1068844182.db2.gz NKZPCFGYTOLXFU-RTWAWAEBSA-N 1 1 478.607 4.447 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001300486063 1068846010 /nfs/dbraw/zinc/84/60/10/1068846010.db2.gz PBSFVQCZHWFHEQ-AREMUKBSSA-N 1 1 483.682 4.480 20 0 JIADMO CC(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC(=O)N2C(C)C)[N@@H+]2CCc3sccc3C2)cc1 ZINC001354040148 1068857398 /nfs/dbraw/zinc/85/73/98/1068857398.db2.gz VMEXOPADGJHIFC-GOTSBHOMSA-N 1 1 453.652 4.487 20 0 JIADMO CC(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC(=O)N2C(C)C)[N@H+]2CCc3sccc3C2)cc1 ZINC001354040148 1068857400 /nfs/dbraw/zinc/85/74/00/1068857400.db2.gz VMEXOPADGJHIFC-GOTSBHOMSA-N 1 1 453.652 4.487 20 0 JIADMO 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COc1ccccc1-c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CCCOC(F)(F)F ZINC001300514195 1068895909 /nfs/dbraw/zinc/89/59/09/1068895909.db2.gz ZLOGSDUFQHBXPZ-UHFFFAOYSA-N 1 1 481.544 4.264 20 0 JIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(NC(=O)Cc3ccc(Br)cc3)c2)CC[N@H+]1C ZINC001354116811 1068907501 /nfs/dbraw/zinc/90/75/01/1068907501.db2.gz IZJVEKNQIGBVQH-IERDGZPVSA-N 1 1 458.400 4.185 20 0 JIADMO COc1ccccc1-c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001300520247 1068910906 /nfs/dbraw/zinc/91/09/06/1068910906.db2.gz YQNFKLAUYZVQGU-AREMUKBSSA-N 1 1 455.647 4.470 20 0 JIADMO COc1ccccc1C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300528865 1068935641 /nfs/dbraw/zinc/93/56/41/1068935641.db2.gz HNZDFQQDSSHFSW-GGAORHGYSA-N 1 1 471.690 4.300 20 0 JIADMO C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CC2(Br)Br)[C@H]1c1cccs1 ZINC001354209628 1068979781 /nfs/dbraw/zinc/97/97/81/1068979781.db2.gz IRVGNXTVPIAPDC-OSAQELSMSA-N 1 1 450.240 4.143 20 0 JIADMO C[N@H+]1CCC[C@@H](CNC(=O)c2cnnn2-c2cccc(Cl)c2Cl)[C@@H]1c1cccs1 ZINC001354210052 1068980627 /nfs/dbraw/zinc/98/06/27/1068980627.db2.gz NIUZRZJIODGNJD-ORAYPTAESA-N 1 1 450.395 4.449 20 0 JIADMO Cc1ccccc1-c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CCC[N@H+](C)C(C)C ZINC001492571874 1069021617 /nfs/dbraw/zinc/02/16/17/1069021617.db2.gz LMUNVGFRDGZLSX-FNZWTVRRSA-N 1 1 468.646 4.087 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@]1(C)CCCS1 ZINC001492587590 1069026341 /nfs/dbraw/zinc/02/63/41/1069026341.db2.gz WGHPVBSVVVDMFB-RUZDIDTESA-N 1 1 457.688 4.010 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@](C)(OC)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001300563123 1069039921 /nfs/dbraw/zinc/03/99/21/1069039921.db2.gz NAUUNECCRDVUSW-HOFKKMOUSA-N 1 1 469.674 4.393 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001300563127 1069040138 /nfs/dbraw/zinc/04/01/38/1069040138.db2.gz NAUUNECCRDVUSW-WNCULLNHSA-N 1 1 469.674 4.393 20 0 JIADMO COc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)ccc1F ZINC001200614243 1069044586 /nfs/dbraw/zinc/04/45/86/1069044586.db2.gz JBDDXWDQIAEGHZ-UPVQGACJSA-N 1 1 454.567 4.171 20 0 JIADMO CC(C)Cn1cc([C@H]2[N@H+](Cc3cc4ccccc4nc3N3CCOCC3)CC23CCOCC3)cn1 ZINC000849478426 1069046025 /nfs/dbraw/zinc/04/60/25/1069046025.db2.gz HCLLICOLOYHZMY-AREMUKBSSA-N 1 1 475.637 4.278 20 0 JIADMO CC(C)Cn1cc([C@H]2[N@@H+](Cc3cc4ccccc4nc3N3CCOCC3)CC23CCOCC3)cn1 ZINC000849478426 1069046030 /nfs/dbraw/zinc/04/60/30/1069046030.db2.gz HCLLICOLOYHZMY-AREMUKBSSA-N 1 1 475.637 4.278 20 0 JIADMO COc1cc(CN(C)C(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OCc1ccccc1 ZINC000849486375 1069051974 /nfs/dbraw/zinc/05/19/74/1069051974.db2.gz KHLLNWDWPHBQCR-UIOOFZCWSA-N 1 1 490.648 4.480 20 0 JIADMO 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 1069052754 /nfs/dbraw/zinc/05/27/54/1069052754.db2.gz YBLXYGTYDYWXAD-ZWKOTPCHSA-N 1 1 499.965 4.003 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(COc3ccc(Br)cc3)cc2)cn1 ZINC000849486818 1069052843 /nfs/dbraw/zinc/05/28/43/1069052843.db2.gz BIXSOTCQUQQFEV-XZOQPEGZSA-N 1 1 483.410 4.436 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849488695 1069056745 /nfs/dbraw/zinc/05/67/45/1069056745.db2.gz IHQLGCPSVUQNHQ-LEWJYISDSA-N 1 1 452.580 4.153 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001300566894 1069059608 /nfs/dbraw/zinc/05/96/08/1069059608.db2.gz GDJZYBBJXCSANT-RCZVLFRGSA-N 1 1 469.674 4.249 20 0 JIADMO COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)c1 ZINC000849493065 1069061456 /nfs/dbraw/zinc/06/14/56/1069061456.db2.gz ZROWSDHUBVINIS-ICSRJNTNSA-N 1 1 469.611 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849493416 1069061690 /nfs/dbraw/zinc/06/16/90/1069061690.db2.gz WWOVERPFKLIAAE-WOJBJXKFSA-N 1 1 463.548 4.492 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(SCc3ccccc3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849493843 1069063781 /nfs/dbraw/zinc/06/37/81/1069063781.db2.gz MLVVQBYNCAUYQP-RTBURBONSA-N 1 1 456.641 4.017 20 0 JIADMO COc1c(Br)cc(Cl)cc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849493799 1069064728 /nfs/dbraw/zinc/06/47/28/1069064728.db2.gz ZVCAEEHJVSXGRS-HZPDHXFCSA-N 1 1 469.811 4.297 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849494737 1069065886 /nfs/dbraw/zinc/06/58/86/1069065886.db2.gz YLHSMDPIAXGKIM-MOPGFXCFSA-N 1 1 459.566 4.198 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cn1 ZINC000849494613 1069066818 /nfs/dbraw/zinc/06/68/18/1069066818.db2.gz WQXDYJRTUWUDOO-OALUTQOASA-N 1 1 486.498 4.104 20 0 JIADMO COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cn1 ZINC000849499628 1069071440 /nfs/dbraw/zinc/07/14/40/1069071440.db2.gz NEFQQCPJRKMSRM-FCHUYYIVSA-N 1 1 463.582 4.377 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849501895 1069074729 /nfs/dbraw/zinc/07/47/29/1069074729.db2.gz XWCIYHZHCLBBJL-XZZVZQAVSA-N 1 1 461.610 4.085 20 0 JIADMO 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 1069075614 /nfs/dbraw/zinc/07/56/14/1069075614.db2.gz AHTQDVCXVJSIJP-IKVMQTKTSA-N 1 1 479.669 4.299 20 0 JIADMO CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1Cl ZINC000849502670 1069078639 /nfs/dbraw/zinc/07/86/39/1069078639.db2.gz DMVJAVOSKPEYOK-TZIWHRDSSA-N 1 1 474.049 4.445 20 0 JIADMO 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 1069079560 /nfs/dbraw/zinc/07/95/60/1069079560.db2.gz YAVPFBUUIYPRAG-ZONZVBGPSA-N 1 1 494.680 4.210 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(COCCOc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849504346 1069080413 /nfs/dbraw/zinc/08/04/13/1069080413.db2.gz OKEWZYSBCSRORI-SXOMAYOGSA-N 1 1 476.621 4.468 20 0 JIADMO CCN(C(=O)Cc1ccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1)c1ccccc1 ZINC000849503873 1069083401 /nfs/dbraw/zinc/08/34/01/1069083401.db2.gz MDBKZBNKSKGBHX-SVBPBHIXSA-N 1 1 487.648 4.468 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000849507390 1069087858 /nfs/dbraw/zinc/08/78/58/1069087858.db2.gz ZGPOMRSSFTWRTM-DHIUTWEWSA-N 1 1 462.560 4.346 20 0 JIADMO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849508129 1069088968 /nfs/dbraw/zinc/08/89/68/1069088968.db2.gz HCEQUDRALAIPKB-PMACEKPBSA-N 1 1 452.530 4.343 20 0 JIADMO Cc1cccc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C(=O)NCCc1ccccc1 ZINC000849510084 1069091811 /nfs/dbraw/zinc/09/18/11/1069091811.db2.gz GUVTXQLGTHESCL-RPBOFIJWSA-N 1 1 487.648 4.154 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000849510154 1069091881 /nfs/dbraw/zinc/09/18/81/1069091881.db2.gz OJPAOEQBEPIHLX-TWJOJJKGSA-N 1 1 464.585 4.288 20 0 JIADMO CCCC(=O)Nc1nc2ccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2s1 ZINC000849509597 1069092607 /nfs/dbraw/zinc/09/26/07/1069092607.db2.gz ZWWFDJXYKHIOQN-MOPGFXCFSA-N 1 1 468.627 4.221 20 0 JIADMO COc1ccc(C2(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)CCCCC2)cc1 ZINC000849511025 1069094462 /nfs/dbraw/zinc/09/44/62/1069094462.db2.gz WRZLRSOEPDUMEG-DQEYMECFSA-N 1 1 452.643 4.261 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC2(c3cccc(Br)c3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849510562 1069095610 /nfs/dbraw/zinc/09/56/10/1069095610.db2.gz RWTQRHJGLPUERD-NHCUHLMSSA-N 1 1 459.432 4.192 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849513219 1069097427 /nfs/dbraw/zinc/09/74/27/1069097427.db2.gz QYDJTHUOBYWPFQ-RPWUZVMVSA-N 1 1 456.594 4.271 20 0 JIADMO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC001300575640 1069097952 /nfs/dbraw/zinc/09/79/52/1069097952.db2.gz LIKYEKNJGZPIAI-ZEQRLZLVSA-N 1 1 467.610 4.036 20 0 JIADMO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC001300575640 1069097961 /nfs/dbraw/zinc/09/79/61/1069097961.db2.gz LIKYEKNJGZPIAI-ZEQRLZLVSA-N 1 1 467.610 4.036 20 0 JIADMO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000849515391 1069099115 /nfs/dbraw/zinc/09/91/15/1069099115.db2.gz GEQRPXUTQCILPC-SJORKVTESA-N 1 1 480.922 4.260 20 0 JIADMO Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849515730 1069101764 /nfs/dbraw/zinc/10/17/64/1069101764.db2.gz MRGYAFFPUIGBPJ-NHCUHLMSSA-N 1 1 450.612 4.122 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849518313 1069104793 /nfs/dbraw/zinc/10/47/93/1069104793.db2.gz NNOLDPJDCAHJPR-UNMCSNQZSA-N 1 1 472.033 4.152 20 0 JIADMO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518234 1069105162 /nfs/dbraw/zinc/10/51/62/1069105162.db2.gz QKYIWPBVRJVKAI-IZZNHLLZSA-N 1 1 494.684 4.077 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518234 1069105167 /nfs/dbraw/zinc/10/51/67/1069105167.db2.gz QKYIWPBVRJVKAI-IZZNHLLZSA-N 1 1 494.684 4.077 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2N2CCSCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849518067 1069105966 /nfs/dbraw/zinc/10/59/66/1069105966.db2.gz NFTOOACCYVOWHQ-VQTJNVASSA-N 1 1 462.063 4.079 20 0 JIADMO COc1ccccc1-c1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)n(-c2ccc(C)cc2)n1 ZINC000849517869 1069107014 /nfs/dbraw/zinc/10/70/14/1069107014.db2.gz PMOJTXORLKZMIF-ISKFKSNPSA-N 1 1 484.604 4.264 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)cn1 ZINC000849517757 1069107266 /nfs/dbraw/zinc/10/72/66/1069107266.db2.gz VANWFBBMHDHOHJ-FCHUYYIVSA-N 1 1 473.459 4.280 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)cn1 ZINC000849520618 1069113265 /nfs/dbraw/zinc/11/32/65/1069113265.db2.gz XRLJWKHLXZVURF-UXHICEINSA-N 1 1 470.371 4.044 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849520484 1069113438 /nfs/dbraw/zinc/11/34/38/1069113438.db2.gz NHKUYKBXJGDPRR-DHIUTWEWSA-N 1 1 477.584 4.193 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849522065 1069114115 /nfs/dbraw/zinc/11/41/15/1069114115.db2.gz WXVJYLBXTYHYJS-DQEYMECFSA-N 1 1 450.627 4.140 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)[C@@H](c2cnn(C)c2)C1 ZINC000849522377 1069114322 /nfs/dbraw/zinc/11/43/22/1069114322.db2.gz KUIPOBDMMFKVFQ-ZRRKCSAHSA-N 1 1 472.633 4.465 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c2ccccc2)cc1Br ZINC000849521439 1069114383 /nfs/dbraw/zinc/11/43/83/1069114383.db2.gz SOMROHCMPBGTAE-PQNGQFLHSA-N 1 1 497.437 4.132 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849522072 1069115106 /nfs/dbraw/zinc/11/51/06/1069115106.db2.gz JGQDFEUQUYFTGN-RPWUZVMVSA-N 1 1 460.578 4.196 20 0 JIADMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)Nc2nnc(Cc3cccc(F)c3)s2)C[C@H](C)O1 ZINC000504195514 1069118665 /nfs/dbraw/zinc/11/86/65/1069118665.db2.gz MSGOOHNZRHHHPS-IRXDYDNUSA-N 1 1 469.586 4.199 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCCc3c(NC(=O)CC4CCCCC4)cccc32)cn1 ZINC000849524533 1069118833 /nfs/dbraw/zinc/11/88/33/1069118833.db2.gz ISPITRXDIHPYMV-VWNXMTODSA-N 1 1 477.653 4.344 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)cn1 ZINC000849524909 1069119148 /nfs/dbraw/zinc/11/91/48/1069119148.db2.gz KWPYEXYZVFEZRA-XZOQPEGZSA-N 1 1 499.537 4.043 20 0 JIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cnn(Cc2ccccc2)c1Br ZINC001354338422 1069121980 /nfs/dbraw/zinc/12/19/80/1069121980.db2.gz FORAPEJURKDLAB-IBGZPJMESA-N 1 1 457.372 4.244 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849525782 1069122380 /nfs/dbraw/zinc/12/23/80/1069122380.db2.gz OOTDFLHZUKJTTH-XZOQPEGZSA-N 1 1 478.666 4.159 20 0 JIADMO COc1ccccc1CCN(C)c1nnc(-c2cccn2C)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300583012 1069125532 /nfs/dbraw/zinc/12/55/32/1069125532.db2.gz MXVCDFHHRXUTEO-LEWJYISDSA-N 1 1 450.631 4.092 20 0 JIADMO COc1ccccc1CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001300583831 1069126924 /nfs/dbraw/zinc/12/69/24/1069126924.db2.gz YTAKFLBDQMPLKO-IBGZPJMESA-N 1 1 469.033 4.413 20 0 JIADMO CCCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC000849527950 1069127614 /nfs/dbraw/zinc/12/76/14/1069127614.db2.gz XXCGDVMRWMCEGE-GZGNHOFSSA-N 1 1 467.564 4.157 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC23CCOCC3)cn1 ZINC000849535135 1069147257 /nfs/dbraw/zinc/14/72/57/1069147257.db2.gz CRCIALIVOABEPB-RPBOFIJWSA-N 1 1 468.617 4.413 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC23CCOCC3)cn1 ZINC000849535135 1069147286 /nfs/dbraw/zinc/14/72/86/1069147286.db2.gz CRCIALIVOABEPB-RPBOFIJWSA-N 1 1 468.617 4.413 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849535250 1069148276 /nfs/dbraw/zinc/14/82/76/1069148276.db2.gz OJWPCPVJYODWFO-RPBOFIJWSA-N 1 1 486.682 4.120 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2nc(-c3cc(Br)cs3)cs2)cn1 ZINC000849543157 1069175305 /nfs/dbraw/zinc/17/53/05/1069175305.db2.gz LISPMQNYPPCNJA-KBPBESRZSA-N 1 1 466.430 4.042 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2nc(-c3cc(Br)cs3)cs2)cn1 ZINC000849543159 1069175355 /nfs/dbraw/zinc/17/53/55/1069175355.db2.gz LISPMQNYPPCNJA-UONOGXRCSA-N 1 1 466.430 4.042 20 0 JIADMO Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c1C ZINC000849546960 1069184816 /nfs/dbraw/zinc/18/48/16/1069184816.db2.gz CHXWVVOGUMEBMC-ROUUACIJSA-N 1 1 461.397 4.203 20 0 JIADMO CCCCOCCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849548253 1069186191 /nfs/dbraw/zinc/18/61/91/1069186191.db2.gz LNLTWOKEZDEANM-YADHBBJMSA-N 1 1 477.447 4.068 20 0 JIADMO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849550076 1069189817 /nfs/dbraw/zinc/18/98/17/1069189817.db2.gz BKERQMMFZPPEGE-RTWAWAEBSA-N 1 1 460.557 4.095 20 0 JIADMO CN(C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000849550534 1069192234 /nfs/dbraw/zinc/19/22/34/1069192234.db2.gz ZGGNWKCVCZTTKH-LEWJYISDSA-N 1 1 473.499 4.325 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849553347 1069194575 /nfs/dbraw/zinc/19/45/75/1069194575.db2.gz IYBNWGJHYWNTDS-WOJBJXKFSA-N 1 1 460.557 4.351 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)cn1 ZINC000849555256 1069199293 /nfs/dbraw/zinc/19/92/93/1069199293.db2.gz QNTNMEIHIISREW-YADHBBJMSA-N 1 1 462.560 4.493 20 0 JIADMO 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 1069199822 /nfs/dbraw/zinc/19/98/22/1069199822.db2.gz YJHCDVAQQYOWSQ-NYVOZVTQSA-N 1 1 451.640 4.415 20 0 JIADMO COc1cccc(C(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2cccc(OC)c2)c1 ZINC000849557834 1069204444 /nfs/dbraw/zinc/20/44/44/1069204444.db2.gz KAZOHRCKWMRVJY-IZZNHLLZSA-N 1 1 476.621 4.157 20 0 JIADMO Cc1sc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)nc1-c1ccc(Br)cc1 ZINC000849562073 1069211226 /nfs/dbraw/zinc/21/12/26/1069211226.db2.gz JCUVFWZOKBNRLE-ZWKOTPCHSA-N 1 1 474.428 4.289 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cn1 ZINC000849561740 1069211444 /nfs/dbraw/zinc/21/14/44/1069211444.db2.gz KVDACUYOYUYLPC-GOTSBHOMSA-N 1 1 471.527 4.098 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849562943 1069213228 /nfs/dbraw/zinc/21/32/28/1069213228.db2.gz HYEKFMHMSNJZIL-DNQXCXABSA-N 1 1 469.593 4.325 20 0 JIADMO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849562943 1069213246 /nfs/dbraw/zinc/21/32/46/1069213246.db2.gz HYEKFMHMSNJZIL-DNQXCXABSA-N 1 1 469.593 4.325 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849562943 1069213270 /nfs/dbraw/zinc/21/32/70/1069213270.db2.gz HYEKFMHMSNJZIL-DNQXCXABSA-N 1 1 469.593 4.325 20 0 JIADMO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849562943 1069213292 /nfs/dbraw/zinc/21/32/92/1069213292.db2.gz HYEKFMHMSNJZIL-DNQXCXABSA-N 1 1 469.593 4.325 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849562943 1069213320 /nfs/dbraw/zinc/21/33/20/1069213320.db2.gz HYEKFMHMSNJZIL-DNQXCXABSA-N 1 1 469.593 4.325 20 0 JIADMO COc1ccccc1CN1CCN(c2nnc(C(C)C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001300610372 1069214320 /nfs/dbraw/zinc/21/43/20/1069214320.db2.gz NURLMZUVNYAHFA-QFIPXVFZSA-N 1 1 468.690 4.243 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)cn1 ZINC000849564627 1069215184 /nfs/dbraw/zinc/21/51/84/1069215184.db2.gz VUZYQWAIBYCOGS-ZRBLBEILSA-N 1 1 485.401 4.263 20 0 JIADMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000849566049 1069216980 /nfs/dbraw/zinc/21/69/80/1069216980.db2.gz YFCRTDFYOSFIHB-JVPBZIDWSA-N 1 1 488.455 4.219 20 0 JIADMO COc1ccccc1CSc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849565957 1069217126 /nfs/dbraw/zinc/21/71/26/1069217126.db2.gz XQFULCKSKZXYRU-NHCUHLMSSA-N 1 1 450.608 4.395 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(Cc3ccccc3)c3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849568882 1069220316 /nfs/dbraw/zinc/22/03/16/1069220316.db2.gz QKPCMHGMOSPTQI-LOSJGSFVSA-N 1 1 457.622 4.287 20 0 JIADMO 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 1069221150 /nfs/dbraw/zinc/22/11/50/1069221150.db2.gz RFZNIDQYHWMZAK-UIOOFZCWSA-N 1 1 495.716 4.008 20 0 JIADMO Cc1cc2c(cc1Br)N(C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)CCC2 ZINC000849570155 1069221178 /nfs/dbraw/zinc/22/11/78/1069221178.db2.gz ZSNNXEXVDFHDHP-WOJBJXKFSA-N 1 1 459.432 4.284 20 0 JIADMO COc1ccc(CN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000849570793 1069222899 /nfs/dbraw/zinc/22/28/99/1069222899.db2.gz DHPMBNYCPLSUIC-QVGHQYEOSA-N 1 1 468.642 4.080 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849572466 1069223187 /nfs/dbraw/zinc/22/31/87/1069223187.db2.gz MWFLOHVBPFSIAP-MOPGFXCFSA-N 1 1 460.504 4.077 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(Oc3cccc(Br)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849573153 1069224441 /nfs/dbraw/zinc/22/44/41/1069224441.db2.gz PLGWZYIYKIZAJL-XZOQPEGZSA-N 1 1 489.458 4.067 20 0 JIADMO CCc1nc2ccccc2n1C1CCN(C(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849572701 1069224570 /nfs/dbraw/zinc/22/45/70/1069224570.db2.gz PDYMNUALYWCWGO-XZOQPEGZSA-N 1 1 462.642 4.010 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCc3c(Br)ccc(Cl)c3C2)[C@H](c2cnn(C)c2)C1 ZINC000849578239 1069229346 /nfs/dbraw/zinc/22/93/46/1069229346.db2.gz LAWBMVJIFLUMAP-MSOLQXFVSA-N 1 1 479.850 4.235 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849575999 1069229383 /nfs/dbraw/zinc/22/93/83/1069229383.db2.gz BXGLHRQDGNDYOT-BDTNDASRSA-N 1 1 477.422 4.499 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)cn1 ZINC000849579614 1069231397 /nfs/dbraw/zinc/23/13/97/1069231397.db2.gz XQWOWMHFZCSYFH-HBMCJLEFSA-N 1 1 463.395 4.015 20 0 JIADMO CCCc1c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1ccc(F)cc1 ZINC000849580947 1069232308 /nfs/dbraw/zinc/23/23/08/1069232308.db2.gz CZMKKGYOYQBHNL-YADHBBJMSA-N 1 1 452.578 4.150 20 0 JIADMO COc1ccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c(OCc2ccccc2)c1 ZINC000849581076 1069232329 /nfs/dbraw/zinc/23/23/29/1069232329.db2.gz DQAQXEPQDJTXMI-ZEQRLZLVSA-N 1 1 462.594 4.460 20 0 JIADMO 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 1069232361 /nfs/dbraw/zinc/23/23/61/1069232361.db2.gz CDMJTLPFIOROHK-FCEWJHQRSA-N 1 1 460.903 4.446 20 0 JIADMO 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 1069232384 /nfs/dbraw/zinc/23/23/84/1069232384.db2.gz FLQPKBGHQQLOHE-NHCUHLMSSA-N 1 1 450.549 4.347 20 0 JIADMO CCc1c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cnn1-c1ccccc1Cl ZINC000849581600 1069233211 /nfs/dbraw/zinc/23/32/11/1069233211.db2.gz IAQQMOWKJNKTAE-RBUKOAKNSA-N 1 1 455.006 4.274 20 0 JIADMO CCc1c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1ccc(Cl)cc1 ZINC000849582703 1069233873 /nfs/dbraw/zinc/23/38/73/1069233873.db2.gz ONGVHUZBZUVVPK-RTWAWAEBSA-N 1 1 455.006 4.274 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849584518 1069234977 /nfs/dbraw/zinc/23/49/77/1069234977.db2.gz XOXBDYDMMPOTHJ-IEZWGBDMSA-N 1 1 451.398 4.181 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(c3cccc(Br)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849586148 1069236124 /nfs/dbraw/zinc/23/61/24/1069236124.db2.gz GIYCEDOVTRBFGR-DHIUTWEWSA-N 1 1 473.459 4.403 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)[C@@H](c2cnn(C)c2)C1 ZINC000849587996 1069238989 /nfs/dbraw/zinc/23/89/89/1069238989.db2.gz KIRZODHFNVEGOQ-RBUKOAKNSA-N 1 1 455.509 4.338 20 0 JIADMO COc1ccc(CN(CC2CCC2)C(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c(OC)c1 ZINC000849588080 1069239819 /nfs/dbraw/zinc/23/98/19/1069239819.db2.gz PIOAOEUVIPNJBA-DQEYMECFSA-N 1 1 468.642 4.080 20 0 JIADMO COc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001300619818 1069240037 /nfs/dbraw/zinc/24/00/37/1069240037.db2.gz KMVHJHBGKLHENI-FQEVSTJZSA-N 1 1 469.655 4.336 20 0 JIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(I)ccc1F ZINC001354466251 1069240412 /nfs/dbraw/zinc/24/04/12/1069240412.db2.gz PWPJELDHRFLRST-INIZCTEOSA-N 1 1 452.311 4.024 20 0 JIADMO 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 1069241046 /nfs/dbraw/zinc/24/10/46/1069241046.db2.gz XUNFKLLXKXBOLR-VQTJNVASSA-N 1 1 495.546 4.138 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)[C@H](c2cnn(C)c2)C1 ZINC000849588674 1069241184 /nfs/dbraw/zinc/24/11/84/1069241184.db2.gz MXMWVPHHYYMNSO-WBVHZDCISA-N 1 1 462.982 4.184 20 0 JIADMO COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849589751 1069241938 /nfs/dbraw/zinc/24/19/38/1069241938.db2.gz ZHWJHIIFKPUVDZ-LEWJYISDSA-N 1 1 472.593 4.425 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(Nc3cccc(Br)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849590250 1069242096 /nfs/dbraw/zinc/24/20/96/1069242096.db2.gz XYGDPHJDFDPCSC-XZOQPEGZSA-N 1 1 488.474 4.100 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)[C@H](c2cnn(C)c2)C1 ZINC000849590545 1069242889 /nfs/dbraw/zinc/24/28/89/1069242889.db2.gz BSLTWFGLWPSUFD-OALUTQOASA-N 1 1 463.598 4.050 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849592225 1069243480 /nfs/dbraw/zinc/24/34/80/1069243480.db2.gz NSRJLKYCNLGCCP-ROUUACIJSA-N 1 1 494.543 4.290 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849591506 1069243559 /nfs/dbraw/zinc/24/35/59/1069243559.db2.gz JQFYJLIIYZCNCU-SFTDATJTSA-N 1 1 458.031 4.327 20 0 JIADMO Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849593089 1069245468 /nfs/dbraw/zinc/24/54/68/1069245468.db2.gz AXYKLDKIPIIHJX-PKTZIBPZSA-N 1 1 456.594 4.496 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849594597 1069248079 /nfs/dbraw/zinc/24/80/79/1069248079.db2.gz FJEDAKRAWFNNMX-PKTZIBPZSA-N 1 1 458.050 4.015 20 0 JIADMO 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 1069250901 /nfs/dbraw/zinc/25/09/01/1069250901.db2.gz IRBJELHEIRENDY-RRQGHBQHSA-N 1 1 457.928 4.179 20 0 JIADMO 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 1069251040 /nfs/dbraw/zinc/25/10/40/1069251040.db2.gz SVTXPLLCDCOVAA-WVQWTBLQSA-N 1 1 468.642 4.079 20 0 JIADMO 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 1069251195 /nfs/dbraw/zinc/25/11/95/1069251195.db2.gz SVTXPLLCDCOVAA-OWAUWMPXSA-N 1 1 468.642 4.079 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC2(c3ccccc3Br)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849597909 1069253722 /nfs/dbraw/zinc/25/37/22/1069253722.db2.gz WSVADFQDCATJIE-WOJBJXKFSA-N 1 1 473.459 4.235 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849604591 1069261602 /nfs/dbraw/zinc/26/16/02/1069261602.db2.gz DHSAHHZBMOVFMJ-VXKWHMMOSA-N 1 1 478.559 4.371 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(COc3cccc(F)c3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849607361 1069263255 /nfs/dbraw/zinc/26/32/55/1069263255.db2.gz VCNGJDVAOUKPDE-FTJBHMTQSA-N 1 1 464.585 4.269 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)[C@H](c2cnn(C)c2)C1 ZINC000849608328 1069264707 /nfs/dbraw/zinc/26/47/07/1069264707.db2.gz OJPWKBMAXOSUDJ-GJZGRUSLSA-N 1 1 477.432 4.087 20 0 JIADMO COc1ccccc1OCc1nnc(N(C)Cc2cc(Cl)ccn2)n1CC[N@H+]1CCC[C@@H]1C ZINC001300628179 1069267117 /nfs/dbraw/zinc/26/71/17/1069267117.db2.gz UAQFZSQFDWFIFP-SFHVURJKSA-N 1 1 471.005 4.035 20 0 JIADMO 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 1069267729 /nfs/dbraw/zinc/26/77/29/1069267729.db2.gz FVGAKMSOSVKBJT-GNLZIIPMSA-N 1 1 489.705 4.166 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(-c3ccccc3Br)no2)[C@H](c2cnn(C)c2)C1 ZINC000849612258 1069271934 /nfs/dbraw/zinc/27/19/34/1069271934.db2.gz JIMQJJMOFXVMSD-WMZOPIPTSA-N 1 1 472.387 4.290 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CC(C)(C)c3ccc(Br)cc32)[C@H](c2cnn(C)c2)C1 ZINC000849610724 1069272230 /nfs/dbraw/zinc/27/22/30/1069272230.db2.gz NHUDQGJDEGZPHE-MOPGFXCFSA-N 1 1 459.432 4.321 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)cn1 ZINC000849611571 1069273540 /nfs/dbraw/zinc/27/35/40/1069273540.db2.gz CPACHQZSULSDSP-DLBZAZTESA-N 1 1 480.922 4.167 20 0 JIADMO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(F)cc2I)CC1 ZINC001354513238 1069282936 /nfs/dbraw/zinc/28/29/36/1069282936.db2.gz BLFYDQHFOVLFQC-LJQANCHMSA-N 1 1 452.311 4.339 20 0 JIADMO CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CCC4(CC3)COCC(=O)N4)n2)CC1 ZINC001164424945 718935343 /nfs/dbraw/zinc/93/53/43/718935343.db2.gz RSWUWIGHFOSPNR-UHFFFAOYSA-N 1 1 497.690 4.137 20 0 JIADMO CCS(=O)(=O)c1cc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164628370 719114623 /nfs/dbraw/zinc/11/46/23/719114623.db2.gz MNLPPHYYYHOMDK-IEBWSBKVSA-N 1 1 469.985 4.174 20 0 JIADMO CCS(=O)(=O)c1cc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164628370 719114632 /nfs/dbraw/zinc/11/46/32/719114632.db2.gz MNLPPHYYYHOMDK-IEBWSBKVSA-N 1 1 469.985 4.174 20 0 JIADMO CCn1nnc2c1[C@@H](COC)CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164664408 719361727 /nfs/dbraw/zinc/36/17/27/719361727.db2.gz PPTVKJOAVNTCLV-ZWKOTPCHSA-N 1 1 495.697 4.164 20 0 JIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4c2ccn4COC(=O)C(C)(C)C)CC3)cs1 ZINC001164694329 719808849 /nfs/dbraw/zinc/80/88/49/719808849.db2.gz VGIMQUNYNIMCNH-UHFFFAOYSA-N 1 1 482.654 4.378 20 0 JIADMO CCOC(=O)c1cc2ncnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2s1 ZINC001164692948 719811109 /nfs/dbraw/zinc/81/11/09/719811109.db2.gz SNPBRRCONIJQDL-UHFFFAOYSA-N 1 1 457.625 4.268 20 0 JIADMO Cc1nc(C[N@H+]2CCCC23CCN([C@](F)(COc2cncc(Cl)n2)C(F)F)CC3)cs1 ZINC001164691534 719814374 /nfs/dbraw/zinc/81/43/74/719814374.db2.gz GISFDAZFISITHP-HXUWFJFHSA-N 1 1 475.968 4.335 20 0 JIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(N4CCN(c5ccccc5)CC4)ncn2)CC3)cs1 ZINC001164693743 719814998 /nfs/dbraw/zinc/81/49/98/719814998.db2.gz YLWCSWOSYLWFIC-UHFFFAOYSA-N 1 1 489.693 4.203 20 0 JIADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc(N(C)C)nc(Cl)n2)CC3)cs1 ZINC001164697252 719815784 /nfs/dbraw/zinc/81/57/84/719815784.db2.gz AXJCLDMFKRCFLB-UHFFFAOYSA-N 1 1 456.994 4.141 20 0 JIADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc(N(C)C)nc(Cl)n2)CC3)cs1 ZINC001164697252 719815785 /nfs/dbraw/zinc/81/57/85/719815785.db2.gz AXJCLDMFKRCFLB-UHFFFAOYSA-N 1 1 456.994 4.141 20 0 JIADMO Cn1cc([C@H]2COC3(C2)CCN(c2nc(C[NH+]4CCCC4)nc4sc5c(c42)CCCC5)CC3)cn1 ZINC001164696343 719826769 /nfs/dbraw/zinc/82/67/69/719826769.db2.gz IHRUFJHEBKQSJT-LJQANCHMSA-N 1 1 492.693 4.443 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)n1 ZINC001164695847 719826779 /nfs/dbraw/zinc/82/67/79/719826779.db2.gz GEJGCPAVWIGKCT-LJQANCHMSA-N 1 1 468.671 4.427 20 0 JIADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC001164698483 719859342 /nfs/dbraw/zinc/85/93/42/719859342.db2.gz CNZWGOBOIPPNMW-IBVKSMDESA-N 1 1 480.996 4.183 20 0 JIADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccs2)nc2sc3c(c21)CCC3 ZINC001164706731 719868963 /nfs/dbraw/zinc/86/89/63/719868963.db2.gz QJEPITUGTNKTRC-IVCQMTBJSA-N 1 1 498.674 4.141 20 0 JIADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694659 719889929 /nfs/dbraw/zinc/88/99/29/719889929.db2.gz BWRXYBLCHIFAIM-UHFFFAOYSA-N 1 1 450.004 4.153 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccc(F)cc31)CC2 ZINC001164709707 720099708 /nfs/dbraw/zinc/09/97/08/720099708.db2.gz CKRYFKINBDKZSC-LJQANCHMSA-N 1 1 455.965 4.325 20 0 JIADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164719457 720108757 /nfs/dbraw/zinc/10/87/57/720108757.db2.gz XEIMYQYVEZCXJL-HXUWFJFHSA-N 1 1 473.017 4.123 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cc(OC)c(OC)cc31)CC2 ZINC001164714923 720110353 /nfs/dbraw/zinc/11/03/53/720110353.db2.gz FKPNISHQCZDCIL-IBGZPJMESA-N 1 1 498.027 4.203 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001164815936 720111194 /nfs/dbraw/zinc/11/11/94/720111194.db2.gz XPWXRAQIQWGRCP-YCRPNKLZSA-N 1 1 454.924 4.152 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3cccc(C)c31)CC2 ZINC001164714894 720116826 /nfs/dbraw/zinc/11/68/26/720116826.db2.gz DJQNPYMHAIXKSC-HXUWFJFHSA-N 1 1 452.002 4.494 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(C)c(C)c(Cl)n1)CC2 ZINC001164718615 720126550 /nfs/dbraw/zinc/12/65/50/720126550.db2.gz TYGUERPNESJTTD-IBGZPJMESA-N 1 1 465.976 4.194 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cccc(C)c31)CC2 ZINC001164713532 720130963 /nfs/dbraw/zinc/13/09/63/720130963.db2.gz RKMLPARXRPFPIE-HXUWFJFHSA-N 1 1 452.002 4.494 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncccc1C(=O)N1CCc3ccccc31)CC2 ZINC001164712199 720141464 /nfs/dbraw/zinc/14/14/64/720141464.db2.gz KWCXHGXCMZLPMK-VWLOTQADSA-N 1 1 497.643 4.187 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3cccc(OC)c3)nn1)CC2 ZINC001164713967 720143011 /nfs/dbraw/zinc/14/30/11/720143011.db2.gz UNYFSWIIAHXGSJ-HSZRJFAPSA-N 1 1 459.594 4.055 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(-c3cccc(F)c3)cc1C)CC2 ZINC001164713565 720154813 /nfs/dbraw/zinc/15/48/13/720154813.db2.gz SBHJKDVSCCVTGK-DEOSSOPVSA-N 1 1 461.585 4.494 20 0 JIADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164818514 720170513 /nfs/dbraw/zinc/17/05/13/720170513.db2.gz SYYQMTWWNMCGRA-LVXARBLLSA-N 1 1 471.715 4.335 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3nc(-c4cccs4)no3)ccn1)C2 ZINC001164814335 720184685 /nfs/dbraw/zinc/18/46/85/720184685.db2.gz FUEORNBIHMUDQF-NTKDMRAZSA-N 1 1 451.596 4.045 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)C2 ZINC001164819788 720191372 /nfs/dbraw/zinc/19/13/72/720191372.db2.gz YEPQEHZZYBWGNL-KDOFPFPSSA-N 1 1 453.883 4.483 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3scc(-c4cccs4)c31)CCC2 ZINC001164814687 720217977 /nfs/dbraw/zinc/21/79/77/720217977.db2.gz UZNAURGVUMMYLW-UHFFFAOYSA-N 1 1 466.636 4.227 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cccc3ccnc(Cl)c31)CCC2 ZINC001164814743 720226835 /nfs/dbraw/zinc/22/68/35/720226835.db2.gz XULSBXWWQZYQHX-UHFFFAOYSA-N 1 1 461.944 4.240 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cccc3c(Cl)nccc31)CCC2 ZINC001164813909 720230142 /nfs/dbraw/zinc/23/01/42/720230142.db2.gz RPLXCKUASNJJML-UHFFFAOYSA-N 1 1 461.944 4.240 20 0 JIADMO Cc1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164817657 720243858 /nfs/dbraw/zinc/24/38/58/720243858.db2.gz RXTLAFDEWYWITM-UHFFFAOYSA-N 1 1 481.044 4.145 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)n1 ZINC001164725249 720502723 /nfs/dbraw/zinc/50/27/23/720502723.db2.gz IYZIAOOYARJHAF-FNZWTVRRSA-N 1 1 494.665 4.169 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc4c(Cl)ncnc4c3)CC[C@@H]21 ZINC001164838475 720518310 /nfs/dbraw/zinc/51/83/10/720518310.db2.gz RIOVFRFOGFVMFZ-MMOPVJDHSA-N 1 1 460.960 4.402 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cnc4c3)CC[C@@H]21 ZINC001164834657 720535757 /nfs/dbraw/zinc/53/57/57/720535757.db2.gz FOICHAZWSFZKBO-MMOPVJDHSA-N 1 1 460.960 4.402 20 0 JIADMO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc2C)cc1 ZINC001164838277 720593895 /nfs/dbraw/zinc/59/38/95/720593895.db2.gz KNWAKXSJCPNGET-RMTZWNOUSA-N 1 1 473.621 4.418 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4ccccn4)nc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841270 720603485 /nfs/dbraw/zinc/60/34/85/720603485.db2.gz RUGCVEGTPWFZGV-TYBLODHISA-N 1 1 453.594 4.266 20 0 JIADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164841851 720680680 /nfs/dbraw/zinc/68/06/80/720680680.db2.gz JMCLDYJLPYGNIF-HXUWFJFHSA-N 1 1 458.002 4.480 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)CC2 ZINC001164844480 720689459 /nfs/dbraw/zinc/68/94/59/720689459.db2.gz SHQYKABYKKXLLF-NHCUHLMSSA-N 1 1 497.043 4.439 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CC2 ZINC001164845316 720700061 /nfs/dbraw/zinc/70/00/61/720700061.db2.gz YCVVLCRSLWPVGA-GOSISDBHSA-N 1 1 473.955 4.483 20 0 JIADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838872 720705103 /nfs/dbraw/zinc/70/51/03/720705103.db2.gz JLDCZSUYZHSLND-UPWIVDSGSA-N 1 1 460.578 4.009 20 0 JIADMO C[NH+]1CCC(Oc2ccnc(N3Cc4ccccc4C4(CCN(C(=O)c5ccco5)CC4)C3)c2)CC1 ZINC001164841959 720744458 /nfs/dbraw/zinc/74/44/58/720744458.db2.gz BCGLWODPTXBOAR-UHFFFAOYSA-N 1 1 486.616 4.342 20 0 JIADMO CC[C@@H]1N(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)CCC[C@]12CCC(=O)N2 ZINC001164846447 720755423 /nfs/dbraw/zinc/75/54/23/720755423.db2.gz IZXPJFIPNKRQCO-DFBJGRDBSA-N 1 1 453.656 4.194 20 0 JIADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164737460 720779939 /nfs/dbraw/zinc/77/99/39/720779939.db2.gz BTODHSZFQGOKBE-VQTJNVASSA-N 1 1 456.575 4.004 20 0 JIADMO COc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164746173 720806899 /nfs/dbraw/zinc/80/68/99/720806899.db2.gz LZYXTARAUAGAOT-ICSRJNTNSA-N 1 1 487.938 4.087 20 0 JIADMO COc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164746173 720806903 /nfs/dbraw/zinc/80/69/03/720806903.db2.gz LZYXTARAUAGAOT-ICSRJNTNSA-N 1 1 487.938 4.087 20 0 JIADMO Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164748318 720806911 /nfs/dbraw/zinc/80/69/11/720806911.db2.gz QSZBVRCXVVRMIA-UXHICEINSA-N 1 1 471.939 4.387 20 0 JIADMO Cc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164748318 720806912 /nfs/dbraw/zinc/80/69/12/720806912.db2.gz QSZBVRCXVVRMIA-UXHICEINSA-N 1 1 471.939 4.387 20 0 JIADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5scc(-c6ccccc6)c54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746074 720819724 /nfs/dbraw/zinc/81/97/24/720819724.db2.gz XWLOWVFZDDWIBI-QNWVGRARSA-N 1 1 471.634 4.329 20 0 JIADMO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746174 720824349 /nfs/dbraw/zinc/82/43/49/720824349.db2.gz YCLLKGZFGMXCHL-RCZSKKKRSA-N 1 1 472.971 4.404 20 0 JIADMO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748771 720835524 /nfs/dbraw/zinc/83/55/24/720835524.db2.gz UVONLLZUNYFRJN-SFHLNBCPSA-N 1 1 472.971 4.404 20 0 JIADMO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740574 720846326 /nfs/dbraw/zinc/84/63/26/720846326.db2.gz CVEDZCUVUYRQLG-XQBPLPMBSA-N 1 1 495.027 4.036 20 0 JIADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739511 720850448 /nfs/dbraw/zinc/85/04/48/720850448.db2.gz ATZGSPJJWFZNTR-BHIFYINESA-N 1 1 464.017 4.076 20 0 JIADMO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C ZINC001164752501 720853032 /nfs/dbraw/zinc/85/30/32/720853032.db2.gz SSMGAKOOHGZFHB-YZUZCNPQSA-N 1 1 478.044 4.385 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4cccs4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164858307 720876669 /nfs/dbraw/zinc/87/66/69/720876669.db2.gz KRWFAKQBCNTUIF-AEFFLSMTSA-N 1 1 470.664 4.082 20 0 JIADMO CSc1ncc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755492 720877041 /nfs/dbraw/zinc/87/70/41/720877041.db2.gz XXKIPMWLOSJKQT-CVDCTZTESA-N 1 1 460.047 4.002 20 0 JIADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756518 720882557 /nfs/dbraw/zinc/88/25/57/720882557.db2.gz PWUIPNOPWUAHIW-WXVAWEFUSA-N 1 1 499.055 4.370 20 0 JIADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755049 720883019 /nfs/dbraw/zinc/88/30/19/720883019.db2.gz KLDMUOHGAGNSTL-AJTFRIOCSA-N 1 1 499.055 4.370 20 0 JIADMO Clc1nc(-c2ccccc2)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757454 720883587 /nfs/dbraw/zinc/88/35/87/720883587.db2.gz UZPKFYPMFGLKAB-YIXXDRMTSA-N 1 1 491.039 4.342 20 0 JIADMO Clc1nc2ccccc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754462 720884127 /nfs/dbraw/zinc/88/41/27/720884127.db2.gz IZUJCAJDSQQTBL-LVXARBLLSA-N 1 1 464.013 4.433 20 0 JIADMO CSc1cnc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757195 720892509 /nfs/dbraw/zinc/89/25/09/720892509.db2.gz UHCRKCAIVAWIFP-AUSIDOKSSA-N 1 1 460.047 4.002 20 0 JIADMO Cc1nc2c(nc(Cl)nc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164750862 720893993 /nfs/dbraw/zinc/89/39/93/720893993.db2.gz CBVXCTJLHVVWKV-YADARESESA-N 1 1 485.057 4.198 20 0 JIADMO Cc1nc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(Cl)c1C ZINC001164758507 720896421 /nfs/dbraw/zinc/89/64/21/720896421.db2.gz YVQIVICUIOQFGD-QPPBQGQZSA-N 1 1 492.014 4.442 20 0 JIADMO c1csc(-c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164758441 720896481 /nfs/dbraw/zinc/89/64/81/720896481.db2.gz YCRFGNTUQQHLLS-GJZUVCINSA-N 1 1 461.635 4.355 20 0 JIADMO Clc1ccnc2cnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cc12 ZINC001164757145 720896489 /nfs/dbraw/zinc/89/64/89/720896489.db2.gz SYEOYPOXNUPLNF-QFQXNSOFSA-N 1 1 464.013 4.433 20 0 JIADMO O=C(N[C@H]1CCO[C@]2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C2)C1)c1ccccc1 ZINC001164857923 720898453 /nfs/dbraw/zinc/89/84/53/720898453.db2.gz KVQGLKVSDSMAHC-FREGXXQWSA-N 1 1 482.628 4.198 20 0 JIADMO CCCN(CCC)c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164757486 720898474 /nfs/dbraw/zinc/89/84/74/720898474.db2.gz VDLHZUYJKTXXOU-NAKRPHOHSA-N 1 1 478.685 4.253 20 0 JIADMO Nc1cc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cnc1Cl ZINC001164750671 720907244 /nfs/dbraw/zinc/90/72/44/720907244.db2.gz JYSAHGFEIQCJDH-NZQKXSOJSA-N 1 1 477.987 4.012 20 0 JIADMO Cc1cc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)nn1 ZINC001164749052 720911987 /nfs/dbraw/zinc/91/19/87/720911987.db2.gz HMYRCJGVKGELGL-NZQKXSOJSA-N 1 1 477.987 4.133 20 0 JIADMO COc1ccccc1-c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164748482 720916233 /nfs/dbraw/zinc/91/62/33/720916233.db2.gz GFKQBGFQKNLVFL-GIGWZHCTSA-N 1 1 485.632 4.302 20 0 JIADMO COc1ccccc1-c1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164748480 720916899 /nfs/dbraw/zinc/91/68/99/720916899.db2.gz GFKQBGFQKNLVFL-FUFSCUOVSA-N 1 1 485.632 4.302 20 0 JIADMO c1ccc(Cc2nccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164754640 720920700 /nfs/dbraw/zinc/92/07/00/720920700.db2.gz WOJAYRHTYJBURN-WNJJXGMVSA-N 1 1 469.633 4.218 20 0 JIADMO c1ccc(Cc2nccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164754638 720921189 /nfs/dbraw/zinc/92/11/89/720921189.db2.gz WOJAYRHTYJBURN-LITSAYRRSA-N 1 1 469.633 4.218 20 0 JIADMO Cc1csc2nc(C)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755174 720922397 /nfs/dbraw/zinc/92/23/97/720922397.db2.gz ZHQHDTSSTIKGCR-BKMJKUGQSA-N 1 1 463.651 4.458 20 0 JIADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2nccc4c5c([nH]c42)CCC5)C3)c1 ZINC001164750182 720932934 /nfs/dbraw/zinc/93/29/34/720932934.db2.gz JQXDTBNTQHGSEC-DWACAAAGSA-N 1 1 457.622 4.202 20 0 JIADMO c1cc2c(nc(C3CCC3)nc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164749181 720939948 /nfs/dbraw/zinc/93/99/48/720939948.db2.gz IFDKNNWVBFPVLF-NEKDWFFYSA-N 1 1 472.637 4.376 20 0 JIADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164863095 720955217 /nfs/dbraw/zinc/95/52/17/720955217.db2.gz YBGUMCFPXADSJA-OAHLLOKOSA-N 1 1 456.978 4.078 20 0 JIADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868918 721074184 /nfs/dbraw/zinc/07/41/84/721074184.db2.gz RDDATCBIQMESPO-IRXDYDNUSA-N 1 1 480.346 4.356 20 0 JIADMO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)CC[N@H+]3C2)c1 ZINC001164879932 721123604 /nfs/dbraw/zinc/12/36/04/721123604.db2.gz VMLURESJAFYRDW-CLJLJLNGSA-N 1 1 472.589 4.059 20 0 JIADMO Clc1cc(OCc2ccccc2)cnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880925 721128785 /nfs/dbraw/zinc/12/87/85/721128785.db2.gz XPCUXYFPTBDBEQ-GMAHTHKFSA-N 1 1 450.970 4.189 20 0 JIADMO CSCc1nc2sc3c(c2c(N2CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C2)n1)CCCC3 ZINC001164874516 721144259 /nfs/dbraw/zinc/14/42/59/721144259.db2.gz KIXTYDWDUCXAFK-RTBURBONSA-N 1 1 481.691 4.308 20 0 JIADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164877033 721145356 /nfs/dbraw/zinc/14/53/56/721145356.db2.gz OETRALBQHGDDIX-FCHUYYIVSA-N 1 1 480.682 4.025 20 0 JIADMO Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879859 721185027 /nfs/dbraw/zinc/18/50/27/721185027.db2.gz URHGMWAASVJZPO-VQTJNVASSA-N 1 1 451.958 4.105 20 0 JIADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164867138 721188249 /nfs/dbraw/zinc/18/82/49/721188249.db2.gz DZDZWMIKGKEJFO-IFMALSPDSA-N 1 1 465.985 4.359 20 0 JIADMO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867034 721195175 /nfs/dbraw/zinc/19/51/75/721195175.db2.gz DQPFFOLRBOXKBO-RBUKOAKNSA-N 1 1 462.972 4.424 20 0 JIADMO Fc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164870194 721196023 /nfs/dbraw/zinc/19/60/23/721196023.db2.gz UJGJNJDOINOFPQ-UXHICEINSA-N 1 1 489.929 4.356 20 0 JIADMO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761403 721240922 /nfs/dbraw/zinc/24/09/22/721240922.db2.gz IACKXLXXOUONTJ-WOJBJXKFSA-N 1 1 452.990 4.177 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(-c5ccccc5F)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164768834 721246683 /nfs/dbraw/zinc/24/66/83/721246683.db2.gz YCUWAHAARMGIOL-SJORKVTESA-N 1 1 476.934 4.173 20 0 JIADMO O=C(NC[C@H]1CCC[C@@]2(CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)O1)c1ccccc1 ZINC001164874286 721257118 /nfs/dbraw/zinc/25/71/18/721257118.db2.gz KCEXTDPAZLEWJB-GJZUVCINSA-N 1 1 469.029 4.279 20 0 JIADMO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC5(C4)CC[N@@H+](CC4CC4)C5)c23)C1 ZINC001164767890 721298652 /nfs/dbraw/zinc/29/86/52/721298652.db2.gz AXACRDAWYNDOCY-SFHVURJKSA-N 1 1 451.684 4.334 20 0 JIADMO CCN1CC[C@@]2(CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]2C)C1=O ZINC001164778306 721320561 /nfs/dbraw/zinc/32/05/61/721320561.db2.gz OYRQJBGPXVPHAG-DWXRJYCRSA-N 1 1 467.683 4.251 20 0 JIADMO CCN1CC[C@]2(CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CC[C@@H](C)C5)C[C@@H]2C)C1=O ZINC001164778546 721321199 /nfs/dbraw/zinc/32/11/99/721321199.db2.gz PRYNSXFLOUNDBM-VXLXPWSCSA-N 1 1 481.710 4.497 20 0 JIADMO CCN1CC[C@]2(CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@H](C)C5)C[C@@H]2C)C1=O ZINC001164778995 721321237 /nfs/dbraw/zinc/32/12/37/721321237.db2.gz SULIQBRUIFBWNG-QSAFDGGLSA-N 1 1 467.683 4.107 20 0 JIADMO CCN1CC[C@]2(CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@@H](C)C5)C[C@@H]2C)C1=O ZINC001164778994 721321394 /nfs/dbraw/zinc/32/13/94/721321394.db2.gz SULIQBRUIFBWNG-FIAZIHOUSA-N 1 1 467.683 4.107 20 0 JIADMO O=C(c1cscn1)N1CCC2(C1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164873470 721328627 /nfs/dbraw/zinc/32/86/27/721328627.db2.gz CMLSYITYLXCCRW-UHFFFAOYSA-N 1 1 473.646 4.229 20 0 JIADMO COc1cc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)cc(Cl)n1 ZINC001164777589 721337183 /nfs/dbraw/zinc/33/71/83/721337183.db2.gz OIGYCLGWKZGOMP-OAQYLSRUSA-N 1 1 470.948 4.012 20 0 JIADMO COc1cc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)cc(Cl)n1 ZINC001164777589 721337187 /nfs/dbraw/zinc/33/71/87/721337187.db2.gz OIGYCLGWKZGOMP-OAQYLSRUSA-N 1 1 470.948 4.012 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CCCCC4)C2)C1 ZINC001164779078 721348438 /nfs/dbraw/zinc/34/84/38/721348438.db2.gz QIFUDMNUCPLEGU-DEOSSOPVSA-N 1 1 460.022 4.123 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c3CCCCC4)C2)C1 ZINC001164779078 721348442 /nfs/dbraw/zinc/34/84/42/721348442.db2.gz QIFUDMNUCPLEGU-DEOSSOPVSA-N 1 1 460.022 4.123 20 0 JIADMO COc1ccc2nc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc(C)c2c1 ZINC001164778565 721350424 /nfs/dbraw/zinc/35/04/24/721350424.db2.gz NGVVFRZKCWFILX-AREMUKBSSA-N 1 1 450.583 4.276 20 0 JIADMO COc1ccc2nc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)cc(C)c2c1 ZINC001164778571 721350663 /nfs/dbraw/zinc/35/06/63/721350663.db2.gz NGVVFRZKCWFILX-SANMLTNESA-N 1 1 450.583 4.276 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C2)C1 ZINC001164780090 721355923 /nfs/dbraw/zinc/35/59/23/721355923.db2.gz DGOGWRKEJRQKJC-RUZDIDTESA-N 1 1 491.032 4.414 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C2)C1 ZINC001164780090 721355926 /nfs/dbraw/zinc/35/59/26/721355926.db2.gz DGOGWRKEJRQKJC-RUZDIDTESA-N 1 1 491.032 4.414 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)C2)C1 ZINC001164784948 721362855 /nfs/dbraw/zinc/36/28/55/721362855.db2.gz ROQRPJBVVOEKOX-LJAQVGFWSA-N 1 1 499.615 4.449 20 0 JIADMO CCOc1ccc(-c2ccc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nn2)cc1 ZINC001164780821 721369882 /nfs/dbraw/zinc/36/98/82/721369882.db2.gz HXFDYQDLSBETSH-HHHXNRCGSA-N 1 1 477.609 4.266 20 0 JIADMO CCOc1ccc(-c2ccc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nn2)cc1 ZINC001164780821 721369884 /nfs/dbraw/zinc/36/98/84/721369884.db2.gz HXFDYQDLSBETSH-HHHXNRCGSA-N 1 1 477.609 4.266 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccn4)nc4sccc43)C2)C1 ZINC001164786054 721372214 /nfs/dbraw/zinc/37/22/14/721372214.db2.gz VEZJPOCBNBGCEX-SANMLTNESA-N 1 1 490.633 4.477 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)C2)C1 ZINC001164785390 721373389 /nfs/dbraw/zinc/37/33/89/721373389.db2.gz SCWPBDVMKOYRSY-VWLOTQADSA-N 1 1 491.032 4.414 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)C2)C1 ZINC001164785390 721373392 /nfs/dbraw/zinc/37/33/92/721373392.db2.gz SCWPBDVMKOYRSY-VWLOTQADSA-N 1 1 491.032 4.414 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccnc(CSc4ccccc4)n3)C2)C1 ZINC001164782455 721374569 /nfs/dbraw/zinc/37/45/69/721374569.db2.gz LUWOTYLEQZAQSX-SANMLTNESA-N 1 1 479.650 4.493 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccnc(CSc4ccccc4)n3)C2)C1 ZINC001164782455 721374571 /nfs/dbraw/zinc/37/45/71/721374571.db2.gz LUWOTYLEQZAQSX-SANMLTNESA-N 1 1 479.650 4.493 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5)nc5ccccc54)C3)O2)CC1 ZINC001164883555 721403983 /nfs/dbraw/zinc/40/39/83/721403983.db2.gz ATIIVESDXWQSIY-FIPFOOKPSA-N 1 1 457.622 4.062 20 0 JIADMO Cc1ccc(-c2csc3ncnc(N4CC[C@]5(C4)CCC[C@@H](CN4CC[NH+](C)CC4)O5)c23)cc1 ZINC001164883505 721404282 /nfs/dbraw/zinc/40/42/82/721404282.db2.gz AHIJWSYBGQEYSY-CUNXSJBXSA-N 1 1 477.678 4.432 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cccc5ccnc(Cl)c54)C3)O2)CC1 ZINC001164885717 721419529 /nfs/dbraw/zinc/41/95/29/721419529.db2.gz HBUMESHUSXEVER-CVDCTZTESA-N 1 1 464.988 4.199 20 0 JIADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891331 721422553 /nfs/dbraw/zinc/42/25/53/721422553.db2.gz VKFFSZVVOCWWDD-BXKMTCNYSA-N 1 1 479.452 4.316 20 0 JIADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164787372 721432574 /nfs/dbraw/zinc/43/25/74/721432574.db2.gz QMTNNCXIFIQSAA-OALUTQOASA-N 1 1 476.675 4.445 20 0 JIADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)n2)s1 ZINC001164894425 721439960 /nfs/dbraw/zinc/43/99/60/721439960.db2.gz MNLUUEBDMIFVMA-JIPXPUAJSA-N 1 1 477.678 4.432 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5cccc6ccccc65)nn4)C3)O2)CC1 ZINC001164897693 721441406 /nfs/dbraw/zinc/44/14/06/721441406.db2.gz ULFGWRAGAHQOGV-LXFBAYGMSA-N 1 1 457.622 4.062 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C3)O2)CC1 ZINC001164892286 721443450 /nfs/dbraw/zinc/44/34/50/721443450.db2.gz HYNAURHJSACEHK-XUZZJYLKSA-N 1 1 492.014 4.107 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4Cl)C3)O2)CC1 ZINC001164885409 721448549 /nfs/dbraw/zinc/44/85/49/721448549.db2.gz DPJLJNHLKOLPQN-MHECFPHRSA-N 1 1 492.451 4.341 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(C)cccc31)CC2 ZINC001164789477 721455614 /nfs/dbraw/zinc/45/56/14/721455614.db2.gz WPMAGLPNDSULHT-HXUWFJFHSA-N 1 1 459.034 4.326 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3sc(C)cc31)CC2 ZINC001164788626 721455675 /nfs/dbraw/zinc/45/56/75/721455675.db2.gz RRILZJJOANWILS-SFHVURJKSA-N 1 1 465.063 4.387 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CCCCC3)CC2 ZINC001164784679 721459039 /nfs/dbraw/zinc/45/90/39/721459039.db2.gz JNLPGIDXUUDXBK-FQEVSTJZSA-N 1 1 463.066 4.133 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(OC)cccc31)CC2 ZINC001164787569 721459339 /nfs/dbraw/zinc/45/93/39/721459339.db2.gz RNAXXFQUZXFFAQ-IBGZPJMESA-N 1 1 475.033 4.026 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc(C)c(Cl)n1)CC2 ZINC001164785580 721461050 /nfs/dbraw/zinc/46/10/50/721461050.db2.gz MCFVCBFERBDZPS-LJQANCHMSA-N 1 1 457.993 4.322 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)c3ccc(F)cc31)CC2 ZINC001164789215 721470061 /nfs/dbraw/zinc/47/00/61/721470061.db2.gz LWZRTXLMMZLLTB-IBGZPJMESA-N 1 1 462.997 4.156 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@H](COCc3ccccn3)C2)nc1 ZINC001164892240 721470511 /nfs/dbraw/zinc/47/05/11/721470511.db2.gz PNWTXTFTJDRBIP-WIOPSUGQSA-N 1 1 460.626 4.463 20 0 JIADMO CCOC[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)Cc2cnn(C)c21 ZINC001164791509 721477719 /nfs/dbraw/zinc/47/77/19/721477719.db2.gz JJUSYABPBDHHBN-HKUYNNGSSA-N 1 1 480.682 4.286 20 0 JIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)CC2 ZINC001164793004 721494247 /nfs/dbraw/zinc/49/42/47/721494247.db2.gz YMMYWCYHPBNCSW-UHFFFAOYSA-N 1 1 468.649 4.311 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CCOC[C@@H]4NC(=O)C(C)C)CC3)c2c1C ZINC001164897238 721501890 /nfs/dbraw/zinc/50/18/90/721501890.db2.gz KPUYYKWKRANDDG-FQEVSTJZSA-N 1 1 485.698 4.052 20 0 JIADMO O=C1CCC2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC2)N1Cc1ccncc1 ZINC001164899186 721506224 /nfs/dbraw/zinc/50/62/24/721506224.db2.gz WXOZVTNGUZKAHG-UHFFFAOYSA-N 1 1 467.617 4.197 20 0 JIADMO Fc1cccc(Cn2ccc3c2ncnc3N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164907741 721538163 /nfs/dbraw/zinc/53/81/63/721538163.db2.gz OGUWFGPJWMBRLE-FYYLOGMGSA-N 1 1 461.516 4.100 20 0 JIADMO Fc1ccc(Cn2ccc3c2ncnc3N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC001164905827 721539268 /nfs/dbraw/zinc/53/92/68/721539268.db2.gz IPNKAZUHQMBCBP-GMAHTHKFSA-N 1 1 461.516 4.100 20 0 JIADMO O=C(c1ccccc1)n1ccc2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc21 ZINC001164912456 721550278 /nfs/dbraw/zinc/55/02/78/721550278.db2.gz ZWJODDUNINSHQR-ISKFKSNPSA-N 1 1 456.521 4.206 20 0 JIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)CC[N@H+]3C2)c1 ZINC001164905422 721555258 /nfs/dbraw/zinc/55/52/58/721555258.db2.gz HLGOKLXLHRQNIC-DOTOQJQBSA-N 1 1 464.875 4.416 20 0 JIADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC5(C[C@@H]5C(=O)N(C)C)CC3)n2)CCC4)CC1 ZINC001164901435 721570581 /nfs/dbraw/zinc/57/05/81/721570581.db2.gz FYFGQHQUUBCDGI-LJQANCHMSA-N 1 1 467.683 4.107 20 0 JIADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164804006 721576879 /nfs/dbraw/zinc/57/68/79/721576879.db2.gz KQRYSUSXLRFWCP-YEHREXKJSA-N 1 1 472.637 4.272 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)ccc2-c2ccc(Cl)nn2)[C@H]2CCCO[C@@H]12 ZINC001164804343 721583804 /nfs/dbraw/zinc/58/38/04/721583804.db2.gz JQJUXDHEJUJDBK-BGWNEDDSSA-N 1 1 453.949 4.199 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)[C@@H]2CCCO[C@H]12 ZINC001164800727 721584351 /nfs/dbraw/zinc/58/43/51/721584351.db2.gz CNRUNIKTBCTFKJ-SDZTWWDVSA-N 1 1 483.975 4.188 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)[C@@H]2CCCO[C@H]12 ZINC001164800727 721584353 /nfs/dbraw/zinc/58/43/53/721584353.db2.gz CNRUNIKTBCTFKJ-SDZTWWDVSA-N 1 1 483.975 4.188 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3nc(-c4cccs4)no3)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164811875 721584897 /nfs/dbraw/zinc/58/48/97/721584897.db2.gz YTVGEGJJJQTEBQ-VIZSFHNOSA-N 1 1 474.590 4.123 20 0 JIADMO FC(F)(c1cc(Cl)nc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905533 721584995 /nfs/dbraw/zinc/58/49/95/721584995.db2.gz JRGKFSKAIGYKQZ-KRWDZBQOSA-N 1 1 464.294 4.461 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Cc1cccc(-c2nnc(N3CCC=C(Br)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001492513032 1066352470 /nfs/dbraw/zinc/35/24/70/1066352470.db2.gz XPSKIQFKNOVDJL-SFHVURJKSA-N 1 1 459.436 4.402 20 0 JIADMO CSCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001316460613 1066355489 /nfs/dbraw/zinc/35/54/89/1066355489.db2.gz FAJHMQZHDXLWBL-UHFFFAOYSA-N 1 1 474.078 4.188 20 0 JIADMO Cc1cccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC001492516953 1066366196 /nfs/dbraw/zinc/36/61/96/1066366196.db2.gz BRPHWGXAPYZRAG-OAQYLSRUSA-N 1 1 497.688 4.074 20 0 JIADMO Cc1cccc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC001492519688 1066383027 /nfs/dbraw/zinc/38/30/27/1066383027.db2.gz SYNOZDGXODYTSM-DHLKQENFSA-N 1 1 462.642 4.420 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC001333167498 1066385118 /nfs/dbraw/zinc/38/51/18/1066385118.db2.gz MZZCSDQOGJJGJB-RBBKRZOGSA-N 1 1 481.000 4.173 20 0 JIADMO O=C(C[NH2+]Cc1ccc(OC(F)F)cc1OC(F)F)Nc1ccc(Br)cc1 ZINC001333811237 1066390868 /nfs/dbraw/zinc/39/08/68/1066390868.db2.gz KZQVRBUDEYZALB-UHFFFAOYSA-N 1 1 451.214 4.380 20 0 JIADMO C[C@@H](C1CCCCC1)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001316481865 1066397310 /nfs/dbraw/zinc/39/73/10/1066397310.db2.gz DKJDNQIUKQELKO-FQEVSTJZSA-N 1 1 470.637 4.190 20 0 JIADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccccc2F)n1CCSC(F)(F)F ZINC001316492933 1066434145 /nfs/dbraw/zinc/43/41/45/1066434145.db2.gz WDBIHZFETFBRMP-OAHLLOKOSA-N 1 1 473.540 4.027 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1Cc1ccc(N(C)C)nc1 ZINC001316495810 1066443275 /nfs/dbraw/zinc/44/32/75/1066443275.db2.gz GFOINNBGXNZMCY-OAQYLSRUSA-N 1 1 461.658 4.087 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCCC(F)(F)F)C[C@H](C)O1 ZINC001316503114 1066467294 /nfs/dbraw/zinc/46/72/94/1066467294.db2.gz LRJMRXUBHYDEAX-CALCHBBNSA-N 1 1 473.971 4.410 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCCC(F)(F)F)C[C@H](C)O1 ZINC001316503114 1066467303 /nfs/dbraw/zinc/46/73/03/1066467303.db2.gz LRJMRXUBHYDEAX-CALCHBBNSA-N 1 1 473.971 4.410 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC(F)(F)C2)C[C@H](C)O1 ZINC001316503646 1066470459 /nfs/dbraw/zinc/47/04/59/1066470459.db2.gz RPDXUZLVMDTQHS-FGTMMUONSA-N 1 1 483.554 4.128 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCC(F)(F)C2)C[C@H](C)O1 ZINC001316503646 1066470469 /nfs/dbraw/zinc/47/04/69/1066470469.db2.gz RPDXUZLVMDTQHS-FGTMMUONSA-N 1 1 483.554 4.128 20 0 JIADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2cccc(Cl)c2)n1CCCOC(F)(F)F ZINC001316503640 1066470898 /nfs/dbraw/zinc/47/08/98/1066470898.db2.gz BCXOSESYIVLWAO-INIZCTEOSA-N 1 1 487.954 4.215 20 0 JIADMO 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 1066471902 /nfs/dbraw/zinc/47/19/02/1066471902.db2.gz CYSRZHCIFUZDRC-HDICACEKSA-N 1 1 494.606 4.363 20 0 JIADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1cccc(C(F)(F)F)c1 ZINC001316504425 1066474092 /nfs/dbraw/zinc/47/40/92/1066474092.db2.gz LYUHOMWVRFQUCE-KRWDZBQOSA-N 1 1 465.564 4.332 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[C@@H]2CCOC2)C[C@H](C)O1 ZINC001316505295 1066478161 /nfs/dbraw/zinc/47/81/61/1066478161.db2.gz OZYRGKMRHYIACW-XPWALMASSA-N 1 1 499.700 4.127 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[C@@H]2CCOC2)C[C@H](C)O1 ZINC001316505295 1066478172 /nfs/dbraw/zinc/47/81/72/1066478172.db2.gz OZYRGKMRHYIACW-XPWALMASSA-N 1 1 499.700 4.127 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)C1 ZINC001338242722 1066539367 /nfs/dbraw/zinc/53/93/67/1066539367.db2.gz PCGDXAOTUPVDPO-CQSZACIVSA-N 1 1 454.924 4.495 20 0 JIADMO COc1cc(CCC(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)cc(OC)c1OC ZINC001338431761 1066554944 /nfs/dbraw/zinc/55/49/44/1066554944.db2.gz SEGQNJGJBNRPIE-UHFFFAOYSA-N 1 1 452.555 4.146 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)c2)CC1 ZINC001338476245 1066558308 /nfs/dbraw/zinc/55/83/08/1066558308.db2.gz KBYQOYGRAIPSOT-QFIPXVFZSA-N 1 1 463.651 4.133 20 0 JIADMO Cc1cccc(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCC[N@H+](C)C(C)C)CC2)c1C ZINC001492535269 1066584363 /nfs/dbraw/zinc/58/43/63/1066584363.db2.gz GJGDZYFZDLEIJV-DEOSSOPVSA-N 1 1 454.663 4.193 20 0 JIADMO COc1cc(CNC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc(Cl)c1OC ZINC001341770083 1066589132 /nfs/dbraw/zinc/58/91/32/1066589132.db2.gz SIWVOUCACQBTPK-UHFFFAOYSA-N 1 1 453.917 4.099 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)[C@H](C)c3ccco3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492537467 1066593774 /nfs/dbraw/zinc/59/37/74/1066593774.db2.gz YZWFIPPHCWVQKY-GGAORHGYSA-N 1 1 467.614 4.313 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001492541015 1066642700 /nfs/dbraw/zinc/64/27/00/1066642700.db2.gz BGACUHITLUFOMA-DEOSSOPVSA-N 1 1 497.606 4.426 20 0 JIADMO COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c2)cc1 ZINC001317718635 1066646623 /nfs/dbraw/zinc/64/66/23/1066646623.db2.gz BSQLDEVJNHKDEF-SFHVURJKSA-N 1 1 494.057 4.168 20 0 JIADMO Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC001317741991 1066659860 /nfs/dbraw/zinc/65/98/60/1066659860.db2.gz VGTFLIKAJSQDEX-UHFFFAOYSA-N 1 1 464.635 4.149 20 0 JIADMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC001317741991 1066659861 /nfs/dbraw/zinc/65/98/61/1066659861.db2.gz VGTFLIKAJSQDEX-UHFFFAOYSA-N 1 1 464.635 4.149 20 0 JIADMO COC(=O)c1ccc(OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c(Cl)c1 ZINC001347729815 1066690960 /nfs/dbraw/zinc/69/09/60/1066690960.db2.gz YTYZUAWSRZLWGB-LEWJYISDSA-N 1 1 450.922 4.343 20 0 JIADMO C[NH+]1CCN([C@H](CNC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)c2cccs2)CC1 ZINC001317879192 1066750090 /nfs/dbraw/zinc/75/00/90/1066750090.db2.gz YYDPOMBGZWHFGJ-HSZRJFAPSA-N 1 1 486.645 4.078 20 0 JIADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)CC1 ZINC001317895281 1066765677 /nfs/dbraw/zinc/76/56/77/1066765677.db2.gz HXBNDXQSLAAQJS-UHFFFAOYSA-N 1 1 478.568 4.164 20 0 JIADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)CC1 ZINC001317895281 1066765685 /nfs/dbraw/zinc/76/56/85/1066765685.db2.gz HXBNDXQSLAAQJS-UHFFFAOYSA-N 1 1 478.568 4.164 20 0 JIADMO COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC[N@@H+](Cc4ccc(C)cc4)CC3)c2)cc1 ZINC001317946604 1066804221 /nfs/dbraw/zinc/80/42/21/1066804221.db2.gz UBNGGTKCSLVAIM-UHFFFAOYSA-N 1 1 493.629 4.153 20 0 JIADMO CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001349138309 1066813574 /nfs/dbraw/zinc/81/35/74/1066813574.db2.gz JIKQEMJKTMUZTA-RRPNLBNLSA-N 1 1 455.602 4.229 20 0 JIADMO O=C(CCN1C(=O)CCc2ccccc21)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001349161016 1066816368 /nfs/dbraw/zinc/81/63/68/1066816368.db2.gz QDKUBSAEQUYAEC-UHFFFAOYSA-N 1 1 459.512 4.109 20 0 JIADMO COc1ccc(C(NC(=O)NCc2cccnc2-n2cc[nH+]c2C)c2ccc(OC)cc2)cc1 ZINC001317968063 1066820474 /nfs/dbraw/zinc/82/04/74/1066820474.db2.gz FPUXAVHVRQWJAC-UHFFFAOYSA-N 1 1 457.534 4.182 20 0 JIADMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1)c1cccc(N2CCNC2=O)c1 ZINC001317983864 1066831261 /nfs/dbraw/zinc/83/12/61/1066831261.db2.gz OQVIYODNPZZTPN-UHFFFAOYSA-N 1 1 490.007 4.444 20 0 JIADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)C[C@H](C)O1 ZINC001349419493 1066839269 /nfs/dbraw/zinc/83/92/69/1066839269.db2.gz DWTNLCHOOMYWCS-HDICACEKSA-N 1 1 459.034 4.412 20 0 JIADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)C[C@H](C)O1 ZINC001349419493 1066839272 /nfs/dbraw/zinc/83/92/72/1066839272.db2.gz DWTNLCHOOMYWCS-HDICACEKSA-N 1 1 459.034 4.412 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(NC(=O)c3ccccc3I)c2)C1 ZINC001318046646 1066870031 /nfs/dbraw/zinc/87/00/31/1066870031.db2.gz OXCUTIDMPKCKIV-MRXNPFEDSA-N 1 1 491.373 4.005 20 0 JIADMO COc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCC(=O)N1c1ccc(C)cc1 ZINC001318061793 1066878853 /nfs/dbraw/zinc/87/88/53/1066878853.db2.gz PFZILHOXNNIEAO-WFIHMLKPSA-N 1 1 461.606 4.185 20 0 JIADMO O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318063980 1066881068 /nfs/dbraw/zinc/88/10/68/1066881068.db2.gz GBNXSGDAGASVHR-OAQYLSRUSA-N 1 1 469.561 4.001 20 0 JIADMO CN(C)C(=O)COc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001349806042 1066885004 /nfs/dbraw/zinc/88/50/04/1066885004.db2.gz CWDXMTYTNKOHNJ-GGXMVOPNSA-N 1 1 471.601 4.182 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)C1 ZINC001318084007 1066892018 /nfs/dbraw/zinc/89/20/18/1066892018.db2.gz FSFACAFPZOEZLD-SFHVURJKSA-N 1 1 453.587 4.014 20 0 JIADMO Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)cc2)c(C)c1C ZINC001318108578 1066903888 /nfs/dbraw/zinc/90/38/88/1066903888.db2.gz VQKZIVHZDPTMPZ-XMMPIXPASA-N 1 1 469.651 4.340 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCN(C(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001492547136 1066915186 /nfs/dbraw/zinc/91/51/86/1066915186.db2.gz PAZNPPBKVMSFSH-XMMPIXPASA-N 1 1 468.690 4.351 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCN(C(C)C)CC3)n2CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001492547136 1066915193 /nfs/dbraw/zinc/91/51/93/1066915193.db2.gz PAZNPPBKVMSFSH-XMMPIXPASA-N 1 1 468.690 4.351 20 0 JIADMO COc1cc(NC(=O)C[N@H+](C)Cc2ccccc2)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC001318182558 1066944190 /nfs/dbraw/zinc/94/41/90/1066944190.db2.gz OKXSUGXCMAVECM-OALUTQOASA-N 1 1 453.583 4.177 20 0 JIADMO COc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC001318182558 1066944197 /nfs/dbraw/zinc/94/41/97/1066944197.db2.gz OKXSUGXCMAVECM-OALUTQOASA-N 1 1 453.583 4.177 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC001318229693 1066973529 /nfs/dbraw/zinc/97/35/29/1066973529.db2.gz KPRCNEACCIPZFF-UHFFFAOYSA-N 1 1 460.582 4.431 20 0 JIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CC1 ZINC001318251681 1066984608 /nfs/dbraw/zinc/98/46/08/1066984608.db2.gz JKPBFWQKKYEYKX-UHFFFAOYSA-N 1 1 472.614 4.407 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001492548240 1066989845 /nfs/dbraw/zinc/98/98/45/1066989845.db2.gz WAONXJNUSGZNRA-QHCPKHFHSA-N 1 1 455.647 4.149 20 0 JIADMO C[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)/C=C\c2cc(Cl)cc(Cl)c2)CC1 ZINC001350760593 1066997867 /nfs/dbraw/zinc/99/78/67/1066997867.db2.gz BQXDWKYCYHLPPJ-NOUOYNBVSA-N 1 1 458.389 4.129 20 0 JIADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc3cc(Br)cnc3n2C)C[C@@H](C)O1 ZINC001350763824 1066998301 /nfs/dbraw/zinc/99/83/01/1066998301.db2.gz XVXCLNJIGIXQDO-HUUCEWRRSA-N 1 1 457.372 4.197 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Cc3csc(-c4ccc(Cl)cc4)n3)c2)CC1 ZINC001318278762 1066998782 /nfs/dbraw/zinc/99/87/82/1066998782.db2.gz MQEHGNFWALBRLU-UHFFFAOYSA-N 1 1 455.027 4.070 20 0 JIADMO COc1ccc([C@@H]2CCCCCN2C(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001318283603 1067001490 /nfs/dbraw/zinc/00/14/90/1067001490.db2.gz OEDSCAIYFDEMJB-SANMLTNESA-N 1 1 450.627 4.270 20 0 JIADMO Cc1c(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)nnn1-c1ccc(OC(C)C)cc1 ZINC001318345371 1067026031 /nfs/dbraw/zinc/02/60/31/1067026031.db2.gz YDIZTZCYECSVTQ-UHFFFAOYSA-N 1 1 473.581 4.477 20 0 JIADMO CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)ccc1F ZINC001318417391 1067040435 /nfs/dbraw/zinc/04/04/35/1067040435.db2.gz HOPSGMCHZIKNNL-UHFFFAOYSA-N 1 1 487.601 4.017 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492548636 1067040733 /nfs/dbraw/zinc/04/07/33/1067040733.db2.gz HCTBHFDIEVSSFM-RPWUZVMVSA-N 1 1 487.714 4.100 20 0 JIADMO CC(=O)N[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1ccc(Br)cc1 ZINC001318478746 1067047776 /nfs/dbraw/zinc/04/77/76/1067047776.db2.gz OBHFADJGYNJNKJ-HSZRJFAPSA-N 1 1 472.427 4.059 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC001318769588 1067059109 /nfs/dbraw/zinc/05/91/09/1067059109.db2.gz JXCNMRIBILSYHH-HXUWFJFHSA-N 1 1 458.628 4.288 20 0 JIADMO COc1ncccc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300702196 1067064138 /nfs/dbraw/zinc/06/41/38/1067064138.db2.gz GYORSKGLGOLHDO-OYRHEFFESA-N 1 1 492.668 4.240 20 0 JIADMO COc1ncccc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300702196 1067064151 /nfs/dbraw/zinc/06/41/51/1067064151.db2.gz GYORSKGLGOLHDO-OYRHEFFESA-N 1 1 492.668 4.240 20 0 JIADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001545692154 1067074772 /nfs/dbraw/zinc/07/47/72/1067074772.db2.gz PDIZLDHCBIZMAN-ZRBLBEILSA-N 1 1 466.674 4.341 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(F)cc2)C1 ZINC001320749202 1067092373 /nfs/dbraw/zinc/09/23/73/1067092373.db2.gz JZTKOHRQCNDCJJ-QGZVFWFLSA-N 1 1 471.577 4.153 20 0 JIADMO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001321335869 1067107026 /nfs/dbraw/zinc/10/70/26/1067107026.db2.gz YBIHIMUXLQPFKZ-UHFFFAOYSA-N 1 1 459.999 4.102 20 0 JIADMO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001321335869 1067107065 /nfs/dbraw/zinc/10/70/65/1067107065.db2.gz YBIHIMUXLQPFKZ-UHFFFAOYSA-N 1 1 459.999 4.102 20 0 JIADMO C[N@H+]1C[C@H]2CCCN(C(=S)Nc3c(F)cc(Br)cc3Br)[C@@H]2C1 ZINC001200798431 1067173688 /nfs/dbraw/zinc/17/36/88/1067173688.db2.gz BFXZLGSMOKLHSU-NOZJJQNGSA-N 1 1 451.203 4.074 20 0 JIADMO CC(C)c1oc(-c2ccccc2)nc1C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC001321630585 1067183304 /nfs/dbraw/zinc/18/33/04/1067183304.db2.gz ZDWFMXRHPXRHDH-QFIPXVFZSA-N 1 1 460.578 4.092 20 0 JIADMO Cc1ccc(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc1NC(=O)C[NH+]1CCCCC1 ZINC001351739396 1067186200 /nfs/dbraw/zinc/18/62/00/1067186200.db2.gz RTRBAZFICGVWBT-NRFANRHFSA-N 1 1 458.603 4.003 20 0 JIADMO CC1(C)C[N@H+](C2(CNC(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)CCCCC2)CCO1 ZINC001321641175 1067187792 /nfs/dbraw/zinc/18/77/92/1067187792.db2.gz YQCVJNDNDDNRLW-HXUWFJFHSA-N 1 1 453.631 4.266 20 0 JIADMO Cc1ccccc1Cc1nnc(N(Cc2ccco2)C(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001492578925 1067191545 /nfs/dbraw/zinc/19/15/45/1067191545.db2.gz ZTJZYCDYLPKMCW-UHFFFAOYSA-N 1 1 451.615 4.296 20 0 JIADMO Cc1ccccc1Cc1nnc(N(Cc2ccco2)C(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001492578925 1067191557 /nfs/dbraw/zinc/19/15/57/1067191557.db2.gz ZTJZYCDYLPKMCW-UHFFFAOYSA-N 1 1 451.615 4.296 20 0 JIADMO C[N@H+]1CC[C@]2(CCN(C(=S)Nc3c(F)cc(Br)cc3Br)C2)C1 ZINC001200802144 1067207099 /nfs/dbraw/zinc/20/70/99/1067207099.db2.gz RWZMBFQBRQNYDX-HNNXBMFYSA-N 1 1 451.203 4.075 20 0 JIADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc(C)nc4c3cnn4Cc3ccc(C)cc3)CC2)cc1 ZINC001322351747 1067282270 /nfs/dbraw/zinc/28/22/70/1067282270.db2.gz UQIASMISPSEUJL-UHFFFAOYSA-N 1 1 483.616 4.453 20 0 JIADMO C[NH+](C)[C@H](C(=O)Nc1cc(Br)ccc1N1CCOCC1)c1ccc(Cl)cc1 ZINC001352101129 1067287519 /nfs/dbraw/zinc/28/75/19/1067287519.db2.gz ZRVWQNPOAVAUAO-IBGZPJMESA-N 1 1 452.780 4.181 20 0 JIADMO CCCN(Cc1ccccc1Br)C(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001322423600 1067290614 /nfs/dbraw/zinc/29/06/14/1067290614.db2.gz LQLBZWORDHCIGA-UHFFFAOYSA-N 1 1 473.459 4.318 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3cccc(NC(=O)c4ccccc4)c3)c2)CC1 ZINC001322425380 1067291564 /nfs/dbraw/zinc/29/15/64/1067291564.db2.gz ZGOVQECWLPDKGD-UHFFFAOYSA-N 1 1 457.578 4.008 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001300771578 1067319969 /nfs/dbraw/zinc/31/99/69/1067319969.db2.gz COZXNPRRHJQBDK-XQBPLPMBSA-N 1 1 462.038 4.246 20 0 JIADMO Cc1[nH+]ccn1CCCCn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001492580266 1067323811 /nfs/dbraw/zinc/32/38/11/1067323811.db2.gz ZMYWUDBGZVNZFT-WIYYLYMNSA-N 1 1 476.547 4.319 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3cccs3)n2CCC[N@H+]2CCCO[C@H](C)C2)n1 ZINC001492495785 1067327318 /nfs/dbraw/zinc/32/73/18/1067327318.db2.gz FPYMPFLFLHDWEL-UXHICEINSA-N 1 1 454.644 4.408 20 0 JIADMO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001355000519 1067330586 /nfs/dbraw/zinc/33/05/86/1067330586.db2.gz UDCIKOGVIXRIMC-NXCFDTQHSA-N 1 1 477.004 4.456 20 0 JIADMO Cc1c2ccccc2c(=O)oc1C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC001355013520 1067336109 /nfs/dbraw/zinc/33/61/09/1067336109.db2.gz RPEOTLCIIYPPAF-HNNXBMFYSA-N 1 1 451.498 4.306 20 0 JIADMO Cc1c2ccccc2c(=O)oc1C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC001355013520 1067336117 /nfs/dbraw/zinc/33/61/17/1067336117.db2.gz RPEOTLCIIYPPAF-HNNXBMFYSA-N 1 1 451.498 4.306 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001300000864 1067337895 /nfs/dbraw/zinc/33/78/95/1067337895.db2.gz MUCYWFYBUODMQL-QFIPXVFZSA-N 1 1 479.673 4.308 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3ccco3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001300001504 1067340199 /nfs/dbraw/zinc/34/01/99/1067340199.db2.gz CGOAMPKCHAPJJI-LJQANCHMSA-N 1 1 453.587 4.312 20 0 JIADMO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(C)C)CC2)CC1 ZINC001300783533 1067341237 /nfs/dbraw/zinc/34/12/37/1067341237.db2.gz ZRWOBHKKBRVXFD-UHFFFAOYSA-N 1 1 475.081 4.018 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2Cc2ccc(OC(C)C)cc2)n1 ZINC001492498222 1067341431 /nfs/dbraw/zinc/34/14/31/1067341431.db2.gz VRWNBWSZLWNPNF-UHFFFAOYSA-N 1 1 492.668 4.279 20 0 JIADMO Cc1cccc(-c2nnc(N(C)Cc3ccc(C(F)(F)F)cc3)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001492498376 1067341726 /nfs/dbraw/zinc/34/17/26/1067341726.db2.gz BSCLACBVEVQEEU-GOSISDBHSA-N 1 1 474.531 4.024 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3cc(C)cs3)n2CC(C)(C)[NH+]2CCOCC2)cc1OC ZINC001300002843 1067345016 /nfs/dbraw/zinc/34/50/16/1067345016.db2.gz NXDXJFJPZKLJKC-UHFFFAOYSA-N 1 1 485.654 4.079 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3scnc3C)n2CC[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300003182 1067346585 /nfs/dbraw/zinc/34/65/85/1067346585.db2.gz QNKFHFWXNZZDOF-QGZVFWFLSA-N 1 1 470.643 4.096 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3cc(Cl)ccn3)n2CC[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300003412 1067347034 /nfs/dbraw/zinc/34/70/34/1067347034.db2.gz UBZFNHIMIQCRDS-GOSISDBHSA-N 1 1 485.032 4.379 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3nccs3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001300006787 1067356286 /nfs/dbraw/zinc/35/62/86/1067356286.db2.gz QNLABCNGTAMMKQ-GOSISDBHSA-N 1 1 470.643 4.176 20 0 JIADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(SC(F)(F)F)cc3)cc2)CC1 ZINC001355085426 1067371267 /nfs/dbraw/zinc/37/12/67/1067371267.db2.gz UKARJXBHZGSRAO-UHFFFAOYSA-N 1 1 451.514 4.257 20 0 JIADMO COc1ccc(-c2nnc(N(C)CCCSC)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1OC ZINC001300015809 1067374300 /nfs/dbraw/zinc/37/43/00/1067374300.db2.gz YPCDFWIQLVQIRI-OAQYLSRUSA-N 1 1 461.676 4.272 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2CC[N@@H+](C)C(C)C)cc1Br ZINC001300022049 1067387415 /nfs/dbraw/zinc/38/74/15/1067387415.db2.gz PKOPMDOVNWNQNJ-IYBDPMFKSA-N 1 1 450.425 4.149 20 0 JIADMO Cc1cc(C)c(CC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c(C)c1Br ZINC001355240840 1067394661 /nfs/dbraw/zinc/39/46/61/1067394661.db2.gz UCMYCFVMSBWHTP-HXUWFJFHSA-N 1 1 458.400 4.005 20 0 JIADMO Cc1cc(C)c(CC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c(C)c1Br ZINC001355240840 1067394671 /nfs/dbraw/zinc/39/46/71/1067394671.db2.gz UCMYCFVMSBWHTP-HXUWFJFHSA-N 1 1 458.400 4.005 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCSCC(C)C)cc1OC ZINC001300026819 1067399665 /nfs/dbraw/zinc/39/96/65/1067399665.db2.gz FRNQBCGJGFISPS-QUCCMNQESA-N 1 1 459.660 4.024 20 0 JIADMO COc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC001300028088 1067404241 /nfs/dbraw/zinc/40/42/41/1067404241.db2.gz ZJRORGQMFAQRDF-GOSISDBHSA-N 1 1 479.547 4.153 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(C)=C(Br)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1OC ZINC001300032704 1067428624 /nfs/dbraw/zinc/42/86/24/1067428624.db2.gz IJWBRXACSACGNP-INIZCTEOSA-N 1 1 490.446 4.324 20 0 JIADMO COC[C@H](C)CC(=O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC001352495611 1067445183 /nfs/dbraw/zinc/44/51/83/1067445183.db2.gz XIXOWMNDXHIEIR-MRXNPFEDSA-N 1 1 451.430 4.494 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@]2(O)CCCC2(C)C)cc1 ZINC001300040088 1067458469 /nfs/dbraw/zinc/45/84/69/1067458469.db2.gz DLIBLWSTQRLSKU-HHHXNRCGSA-N 1 1 469.674 4.452 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H]2CCOC[C@H]2C)cc1OC ZINC001300040185 1067459382 /nfs/dbraw/zinc/45/93/82/1067459382.db2.gz HZPVWVDCMORVQJ-OFNKIYASSA-N 1 1 485.673 4.192 20 0 JIADMO CN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001355528532 1067500656 /nfs/dbraw/zinc/50/06/56/1067500656.db2.gz DSBHRVZATXPHTO-ZEQRLZLVSA-N 1 1 451.611 4.418 20 0 JIADMO CC[C@@H](NC(=O)c1csc(-c2ccccc2OC)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355543612 1067504907 /nfs/dbraw/zinc/50/49/07/1067504907.db2.gz ARIGTVPOFHGPDZ-OFNKIYASSA-N 1 1 451.592 4.228 20 0 JIADMO CC[C@@H](NC(=O)c1csc(-c2ccccc2OC)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355543612 1067504929 /nfs/dbraw/zinc/50/49/29/1067504929.db2.gz ARIGTVPOFHGPDZ-OFNKIYASSA-N 1 1 451.592 4.228 20 0 JIADMO CC[C@H](NC(=O)[C@@H](C)Cc1ccc(Br)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355547826 1067507360 /nfs/dbraw/zinc/50/73/60/1067507360.db2.gz WODJZMWZNVWIRA-TZYHBYERSA-N 1 1 459.428 4.424 20 0 JIADMO CC[C@H](NC(=O)[C@@H](C)Cc1ccc(Br)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355547826 1067507369 /nfs/dbraw/zinc/50/73/69/1067507369.db2.gz WODJZMWZNVWIRA-TZYHBYERSA-N 1 1 459.428 4.424 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001355582410 1067517343 /nfs/dbraw/zinc/51/73/43/1067517343.db2.gz VWUMSSLHNPSQBR-HROJSSOGSA-N 1 1 452.599 4.244 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC001300052599 1067523833 /nfs/dbraw/zinc/52/38/33/1067523833.db2.gz CEGWYBWHSQYLMQ-GOTSBHOMSA-N 1 1 496.700 4.207 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)n2CC(C)(C)OC)cc1 ZINC001300052903 1067525216 /nfs/dbraw/zinc/52/52/16/1067525216.db2.gz FLSZLFMCWBWJHI-RTWAWAEBSA-N 1 1 455.647 4.470 20 0 JIADMO COc1ccc(CCNC(=S)N2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001200080708 1067558759 /nfs/dbraw/zinc/55/87/59/1067558759.db2.gz ZOGKEWSNZUBQNH-SANMLTNESA-N 1 1 453.652 4.109 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492584038 1067568523 /nfs/dbraw/zinc/56/85/23/1067568523.db2.gz CILADAZVXDFDOF-MVERNJQCSA-N 1 1 494.728 4.286 20 0 JIADMO C[C@H](CCc1ccc(I)cc1)CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC001355868402 1067594987 /nfs/dbraw/zinc/59/49/87/1067594987.db2.gz PVVQWBNYRAXZIB-IMFGXOCKSA-N 1 1 454.396 4.193 20 0 JIADMO 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 1067601033 /nfs/dbraw/zinc/60/10/33/1067601033.db2.gz PKSMLEUYLAZUED-XANCMCCPSA-N 1 1 451.615 4.121 20 0 JIADMO 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 1067601604 /nfs/dbraw/zinc/60/16/04/1067601604.db2.gz QZLSKHFLJFKKLS-LJKQEARRSA-N 1 1 454.615 4.136 20 0 JIADMO COc1ccc(-c2nnc(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CC(C)(C)SC)cc1 ZINC001300077200 1067606677 /nfs/dbraw/zinc/60/66/77/1067606677.db2.gz YGMLBUIICIILJH-OYRHEFFESA-N 1 1 486.730 4.090 20 0 JIADMO COc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300078190 1067611854 /nfs/dbraw/zinc/61/18/54/1067611854.db2.gz GOZOWQCPASTRBI-WIYYLYMNSA-N 1 1 481.563 4.233 20 0 JIADMO CC(C)(C)OC(=O)NCC1C[NH+]([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)c4ccccc43)C2)C1 ZINC001200105148 1067627939 /nfs/dbraw/zinc/62/79/39/1067627939.db2.gz WAFAHEGQGWWKHV-SFHVURJKSA-N 1 1 494.057 4.103 20 0 JIADMO COc1ccc([C@H](C)CCNC(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)cc1 ZINC001200106185 1067630320 /nfs/dbraw/zinc/63/03/20/1067630320.db2.gz AVZULFPIYKRFFI-HXUWFJFHSA-N 1 1 450.583 4.297 20 0 JIADMO CC(C)OCc1cc(NC(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)ccc1O ZINC001200107986 1067637949 /nfs/dbraw/zinc/63/79/49/1067637949.db2.gz UMNVNPCMHNHWMK-UHFFFAOYSA-N 1 1 452.555 4.248 20 0 JIADMO COc1ccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300088815 1067638535 /nfs/dbraw/zinc/63/85/35/1067638535.db2.gz LAPBEBFZPXPWEN-IFMALSPDSA-N 1 1 498.672 4.178 20 0 JIADMO COc1ccc([C@H]2CCCN2c2nnc(CC(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1OC ZINC001300097659 1067664578 /nfs/dbraw/zinc/66/45/78/1067664578.db2.gz CEDVMYSTNWZRLB-DHIUTWEWSA-N 1 1 485.673 4.192 20 0 JIADMO C[C@H](NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1ccc(N2CCCOC2=O)cc1 ZINC001200120781 1067678177 /nfs/dbraw/zinc/67/81/77/1067678177.db2.gz BRIXRMQWMOUSFQ-OALUTQOASA-N 1 1 452.555 4.309 20 0 JIADMO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001352756575 1067704585 /nfs/dbraw/zinc/70/45/85/1067704585.db2.gz BVIIBTZTNNQCAJ-MPIARCIVSA-N 1 1 450.048 4.069 20 0 JIADMO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001352756575 1067704593 /nfs/dbraw/zinc/70/45/93/1067704593.db2.gz BVIIBTZTNNQCAJ-MPIARCIVSA-N 1 1 450.048 4.069 20 0 JIADMO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nn1-c1nc(C)cc(C)n1 ZINC001352758148 1067706824 /nfs/dbraw/zinc/70/68/24/1067706824.db2.gz WSXYBQFMWMXGNC-OAQYLSRUSA-N 1 1 452.990 4.025 20 0 JIADMO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)nn1-c1nc(C)cc(C)n1 ZINC001352758148 1067706833 /nfs/dbraw/zinc/70/68/33/1067706833.db2.gz WSXYBQFMWMXGNC-OAQYLSRUSA-N 1 1 452.990 4.025 20 0 JIADMO CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001356273486 1067714417 /nfs/dbraw/zinc/71/44/17/1067714417.db2.gz BLHNGOHYZRNKMY-YMSRPXOMSA-N 1 1 456.590 4.464 20 0 JIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cn(-c2ccc(Br)cc2)cn1 ZINC001356378692 1067739618 /nfs/dbraw/zinc/73/96/18/1067739618.db2.gz WQXWZCLCTKUINF-UHFFFAOYSA-N 1 1 457.397 4.436 20 0 JIADMO Cc1ccccc1C1=NO[C@H](C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)C1 ZINC001356380051 1067741533 /nfs/dbraw/zinc/74/15/33/1067741533.db2.gz ZPPNQOBGLQUCEX-SBUREZEXSA-N 1 1 452.530 4.079 20 0 JIADMO Cc1ccccc1C1=NO[C@H](C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)C1 ZINC001356380051 1067741543 /nfs/dbraw/zinc/74/15/43/1067741543.db2.gz ZPPNQOBGLQUCEX-SBUREZEXSA-N 1 1 452.530 4.079 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300122754 1067742398 /nfs/dbraw/zinc/74/23/98/1067742398.db2.gz JBUABMKJOKGXDD-ACHVPNTGSA-N 1 1 469.674 4.196 20 0 JIADMO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)s1 ZINC001200142400 1067743052 /nfs/dbraw/zinc/74/30/52/1067743052.db2.gz XCOSSJQHPQRMJS-UHFFFAOYSA-N 1 1 456.362 4.314 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2CCC(OC)CC2)cc1 ZINC001300123824 1067745518 /nfs/dbraw/zinc/74/55/18/1067745518.db2.gz ZKXYCVLHJOLDFC-UHFFFAOYSA-N 1 1 469.674 4.198 20 0 JIADMO COc1ccc(CCc2nnc(N3CCSC[C@H]3C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300128768 1067762417 /nfs/dbraw/zinc/76/24/17/1067762417.db2.gz VIUQORLNTXMQHK-DENIHFKCSA-N 1 1 457.688 4.134 20 0 JIADMO CSc1ccc(N2C[C@H](C(=O)NCC[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2=O)cc1 ZINC001356502152 1067765043 /nfs/dbraw/zinc/76/50/43/1067765043.db2.gz NJDZDKMSSBABBF-CEMLEFRQSA-N 1 1 451.636 4.178 20 0 JIADMO C[C@H]1C[C@@H](CCNC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)C[N@H+]1Cc1ccccc1 ZINC001356501371 1067765207 /nfs/dbraw/zinc/76/52/07/1067765207.db2.gz JHJYNCMTNQPTGA-PKOBYXMFSA-N 1 1 458.628 4.198 20 0 JIADMO COc1ccc(CCCN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001300132101 1067769951 /nfs/dbraw/zinc/76/99/51/1067769951.db2.gz VEHFTGRKYAMLAN-QFIPXVFZSA-N 1 1 450.631 4.471 20 0 JIADMO COc1ccc(CCCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300133152 1067772594 /nfs/dbraw/zinc/77/25/94/1067772594.db2.gz OKQANNBKWMPRIH-WMTXJRDZSA-N 1 1 469.674 4.370 20 0 JIADMO Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001356561921 1067778896 /nfs/dbraw/zinc/77/88/96/1067778896.db2.gz LKMOQKLWNCPETB-RBUKOAKNSA-N 1 1 453.558 4.415 20 0 JIADMO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001357203064 1067818027 /nfs/dbraw/zinc/81/80/27/1067818027.db2.gz DVDDFDSVPZSTKK-LEWJYISDSA-N 1 1 455.624 4.363 20 0 JIADMO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001357203064 1067818028 /nfs/dbraw/zinc/81/80/28/1067818028.db2.gz DVDDFDSVPZSTKK-LEWJYISDSA-N 1 1 455.624 4.363 20 0 JIADMO COc1cc(Br)cc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001357205942 1067818616 /nfs/dbraw/zinc/81/86/16/1067818616.db2.gz RCXZHZYUZCFHRQ-LJQANCHMSA-N 1 1 455.356 4.354 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC001300169301 1067827194 /nfs/dbraw/zinc/82/71/94/1067827194.db2.gz DCRYTHKIUHZNDX-PKTZIBPZSA-N 1 1 455.647 4.246 20 0 JIADMO 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4.127 20 0 JIADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2[C@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)CC1 ZINC001353918638 1068751841 /nfs/dbraw/zinc/75/18/41/1068751841.db2.gz YTZMXOOLYKXYOL-HNKDFXQRSA-N 1 1 466.453 4.299 20 0 JIADMO COc1cccc(OC)c1OC1CCN(c2nnc(C3CCCC3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001300450264 1068754531 /nfs/dbraw/zinc/75/45/31/1068754531.db2.gz NUAUAPMCMXYDMP-UHFFFAOYSA-N 1 1 471.646 4.341 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492566341 1068825258 /nfs/dbraw/zinc/82/52/58/1068825258.db2.gz QIVUZUZHYLJQLF-FUPPJEDESA-N 1 1 466.674 4.103 20 0 JIADMO C[C@@H](NC(=O)CC1CCCCC1)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001354000709 1068827139 /nfs/dbraw/zinc/82/71/39/1068827139.db2.gz WMNGHSPDQABFAD-XXBNENTESA-N 1 1 453.652 4.439 20 0 JIADMO C[C@@H](NC(=O)CC1CCCCC1)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001354000709 1068827144 /nfs/dbraw/zinc/82/71/44/1068827144.db2.gz WMNGHSPDQABFAD-XXBNENTESA-N 1 1 453.652 4.439 20 0 JIADMO CC(C)(C)OC(=O)Nc1cnc(CN[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC001200533819 1068841212 /nfs/dbraw/zinc/84/12/12/1068841212.db2.gz JKQQFUVPKIZINV-QGZVFWFLSA-N 1 1 451.493 4.207 20 0 JIADMO CC(C)(C)OC(=O)Nc1cnc(CN[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cn1 ZINC001200533819 1068841215 /nfs/dbraw/zinc/84/12/15/1068841215.db2.gz JKQQFUVPKIZINV-QGZVFWFLSA-N 1 1 451.493 4.207 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001300490555 1068854524 /nfs/dbraw/zinc/85/45/24/1068854524.db2.gz ILJGEYMMZQJJAH-SFHVURJKSA-N 1 1 495.590 4.358 20 0 JIADMO COC(=O)N(C)Cc1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc1 ZINC001200548654 1068868902 /nfs/dbraw/zinc/86/89/02/1068868902.db2.gz HGHRHYBKBZFRGH-WOJBJXKFSA-N 1 1 464.488 4.069 20 0 JIADMO COC(=O)N(C)Cc1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc1 ZINC001200548654 1068868907 /nfs/dbraw/zinc/86/89/07/1068868907.db2.gz HGHRHYBKBZFRGH-WOJBJXKFSA-N 1 1 464.488 4.069 20 0 JIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC001354073961 1068880421 /nfs/dbraw/zinc/88/04/21/1068880421.db2.gz SEBJCBQPZLSCDI-FGTMMUONSA-N 1 1 461.578 4.335 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC001354073961 1068880424 /nfs/dbraw/zinc/88/04/24/1068880424.db2.gz SEBJCBQPZLSCDI-FGTMMUONSA-N 1 1 461.578 4.335 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1CC[C@H](OC)C(F)(F)F ZINC001300513920 1068895401 /nfs/dbraw/zinc/89/54/01/1068895401.db2.gz ULAUTXLKPRXUEM-FQEVSTJZSA-N 1 1 495.571 4.305 20 0 JIADMO COc1ccccc1[C@@H]1CCCN1c1nnc(C(C)(C)C)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001300522035 1068915702 /nfs/dbraw/zinc/91/57/02/1068915702.db2.gz QDCKLIPTLWCPFF-UNMCSNQZSA-N 1 1 455.647 4.163 20 0 JIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001354147161 1068930995 /nfs/dbraw/zinc/93/09/95/1068930995.db2.gz HVNQEGDARBJKNK-UPVQGACJSA-N 1 1 451.586 4.049 20 0 JIADMO COc1ccccc1C[C@H](C)N(C)c1nnc(C2CCCC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001300528235 1068933127 /nfs/dbraw/zinc/93/31/27/1068933127.db2.gz CPZFUWBPCYKHQV-XUZZJYLKSA-N 1 1 469.674 4.369 20 0 JIADMO COc1ccccc1C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001300528665 1068934482 /nfs/dbraw/zinc/93/44/82/1068934482.db2.gz FZECGPTUTJSUEV-PXDATVDWSA-N 1 1 476.669 4.460 20 0 JIADMO Cc1cc(C)c(CC(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C)c1Br ZINC001354154656 1068935026 /nfs/dbraw/zinc/93/50/26/1068935026.db2.gz BWQCLOLFHFGLQY-DENIHFKCSA-N 1 1 459.428 4.323 20 0 JIADMO Cc1cc(C)c(CC(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C)c1Br ZINC001354154656 1068935037 /nfs/dbraw/zinc/93/50/37/1068935037.db2.gz BWQCLOLFHFGLQY-DENIHFKCSA-N 1 1 459.428 4.323 20 0 JIADMO C[C@H](CNC(=O)c1cc(I)cc(C(F)(F)F)c1)[N@H+]1CCCC[C@H]1C ZINC001354196837 1068968433 /nfs/dbraw/zinc/96/84/33/1068968433.db2.gz SPBBRCOHRWHBCF-VXGBXAGGSA-N 1 1 454.274 4.303 20 0 JIADMO 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JIADMO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)Oc1ccccc1C(F)(F)F ZINC000849557887 1069205729 /nfs/dbraw/zinc/20/57/29/1069205729.db2.gz JZGURNXDDYBUOC-AABGKKOBSA-N 1 1 466.548 4.227 20 0 JIADMO Cc1nc(CNC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)oc1-c1ccc(Cl)cc1 ZINC000849558664 1069205846 /nfs/dbraw/zinc/20/58/46/1069205846.db2.gz OUGWIJSIZRGRFT-LEWJYISDSA-N 1 1 455.990 4.167 20 0 JIADMO CC(C)Oc1cc(Br)cc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849559746 1069209477 /nfs/dbraw/zinc/20/94/77/1069209477.db2.gz WIDNGUAVNPWDRT-LEWJYISDSA-N 1 1 463.420 4.422 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849562354 1069209992 /nfs/dbraw/zinc/20/99/92/1069209992.db2.gz NLJOOVXBNOZYLC-DLBZAZTESA-N 1 1 475.367 4.459 20 0 JIADMO COc1cccc(Cn2ccc3ccc(NC(=O)[C@H]4CC[N@@H+](C)C[C@@H]4c4cnn(C)c4)cc32)c1 ZINC000849566872 1069218711 /nfs/dbraw/zinc/21/87/11/1069218711.db2.gz FBTOEQCAERLATG-LOSJGSFVSA-N 1 1 457.578 4.106 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)cn1 ZINC000849568446 1069219630 /nfs/dbraw/zinc/21/96/30/1069219630.db2.gz OJRGLYDGBQHOLL-FCHUYYIVSA-N 1 1 468.646 4.252 20 0 JIADMO Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C3)cs1 ZINC000849571294 1069221931 /nfs/dbraw/zinc/22/19/31/1069221931.db2.gz IEEXVXUWZGKDRK-VQTJNVASSA-N 1 1 469.680 4.312 20 0 JIADMO COc1cc(OC)c(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c(OC)c1 ZINC001354438056 1069222315 /nfs/dbraw/zinc/22/23/15/1069222315.db2.gz SBIRMYUFROOQIE-VAVYLYDRSA-N 1 1 474.601 4.419 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)cn1 ZINC000849576208 1069228857 /nfs/dbraw/zinc/22/88/57/1069228857.db2.gz HRRXOIWRNQRIPL-RCCFBDPRSA-N 1 1 473.337 4.028 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(OCc3ccccc3F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849577999 1069230025 /nfs/dbraw/zinc/23/00/25/1069230025.db2.gz KEALODCZRVUFRM-JWQCQUIFSA-N 1 1 464.585 4.269 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)[C@@H](c2cnn(C)c2)C1 ZINC000849579259 1069230831 /nfs/dbraw/zinc/23/08/31/1069230831.db2.gz WLZOMTFUNZZDRT-WOJBJXKFSA-N 1 1 463.607 4.420 20 0 JIADMO CCCc1c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cnn1-c1ccc(F)cc1 ZINC000849580936 1069232493 /nfs/dbraw/zinc/23/24/93/1069232493.db2.gz CZMKKGYOYQBHNL-FGZHOGPDSA-N 1 1 452.578 4.150 20 0 JIADMO CCc1c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cnn1-c1cccc(Cl)c1 ZINC000849582497 1069233165 /nfs/dbraw/zinc/23/31/65/1069233165.db2.gz NLRKRVZHZGFBQN-LEWJYISDSA-N 1 1 455.006 4.274 20 0 JIADMO CCc1c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1ccc(Cl)cc1 ZINC000849582704 1069234463 /nfs/dbraw/zinc/23/44/63/1069234463.db2.gz ONGVHUZBZUVVPK-SFTDATJTSA-N 1 1 455.006 4.274 20 0 JIADMO 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 ZINC000849584733 1069235459 /nfs/dbraw/zinc/23/54/59/1069235459.db2.gz ZONNGZHZERZWOT-NSISKUIASA-N 1 1 467.441 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1 477.584 4.033 20 0 JIADMO 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 1069256805 /nfs/dbraw/zinc/25/68/05/1069256805.db2.gz BLGUGKFMCKKVBD-ZTCOLXNVSA-N 1 1 467.658 4.117 20 0 JIADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)Nc2cccc(N3CCCCCC3)c2)CC1 ZINC001200678677 1069257710 /nfs/dbraw/zinc/25/77/10/1069257710.db2.gz ODDVHIXZVYMZJJ-UHFFFAOYSA-N 1 1 459.635 4.131 20 0 JIADMO 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 1069261900 /nfs/dbraw/zinc/26/19/00/1069261900.db2.gz CNYQJKQLQAMUAI-LEWJYISDSA-N 1 1 474.531 4.386 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(COc3ccc(F)cc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849606432 1069262466 /nfs/dbraw/zinc/26/24/66/1069262466.db2.gz PPKPUTDRZCOLHA-FTJBHMTQSA-N 1 1 464.585 4.269 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(COc3ccc(F)cc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849606434 1069262869 /nfs/dbraw/zinc/26/28/69/1069262869.db2.gz PPKPUTDRZCOLHA-UIOOFZCWSA-N 1 1 464.585 4.269 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(CCc3ccc(F)cc3F)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849605751 1069263439 /nfs/dbraw/zinc/26/34/39/1069263439.db2.gz JMFHADRROXAEOI-ZEQRLZLVSA-N 1 1 458.597 4.384 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NC2(c3ccc(Br)cc3)CCCCC2)cn1 ZINC000849607987 1069265433 /nfs/dbraw/zinc/26/54/33/1069265433.db2.gz MOVZJLRTQLESSM-NHCUHLMSSA-N 1 1 459.432 4.194 20 0 JIADMO COc1ccccc1OCc1nnc(N2CC[C@@H](C(C)(C)C)C2)n1CCCn1cc[nH+]c1C ZINC001300636847 1069291730 /nfs/dbraw/zinc/29/17/30/1069291730.db2.gz HZCWZMCGYCENIN-HXUWFJFHSA-N 1 1 452.603 4.333 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1ccoc1 ZINC001300640033 1069304848 /nfs/dbraw/zinc/30/48/48/1069304848.db2.gz RSBXOMGCVLUIOF-UHFFFAOYSA-N 1 1 453.587 4.064 20 0 JIADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3O2)n1 ZINC001164649178 719300374 /nfs/dbraw/zinc/30/03/74/719300374.db2.gz HDKBXTIFGLBRNE-WDSOQIARSA-N 1 1 480.638 4.214 20 0 JIADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CC[C@@H](C)C6)C[C@H]3O2)n1 ZINC001164647244 719300553 /nfs/dbraw/zinc/30/05/53/719300553.db2.gz DDLUKLVUQDNMPV-DJABAAGCSA-N 1 1 494.665 4.460 20 0 JIADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@H]3O2)n1 ZINC001164652638 719301139 /nfs/dbraw/zinc/30/11/39/719301139.db2.gz NSBGCDSZDHMNGI-YSIASYRMSA-N 1 1 476.606 4.468 20 0 JIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)CC2 ZINC001164647105 719309412 /nfs/dbraw/zinc/30/94/12/719309412.db2.gz KQJUJBBKTDRVHA-UHFFFAOYSA-N 1 1 466.033 4.048 20 0 JIADMO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(N3CCCCC3)cc[nH+]1)CC2 ZINC001164659927 719351509 /nfs/dbraw/zinc/35/15/09/719351509.db2.gz SOPUGEVQHZKRBI-UHFFFAOYSA-N 1 1 457.626 4.162 20 0 JIADMO CCn1nnc2c1[C@H](COC)CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164664401 719361647 /nfs/dbraw/zinc/36/16/47/719361647.db2.gz PPTVKJOAVNTCLV-MSOLQXFVSA-N 1 1 495.697 4.164 20 0 JIADMO 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C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC5(C[C@H]5C(=O)N(C)C)CC4)c32)C1 ZINC001164900908 721570697 /nfs/dbraw/zinc/57/06/97/721570697.db2.gz AZMBKQGUIFSOHP-ICSRJNTNSA-N 1 1 481.710 4.497 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC5(C[C@H]5C(=O)N(C)C)CC4)c32)C1 ZINC001164900911 721570713 /nfs/dbraw/zinc/57/07/13/721570713.db2.gz AZMBKQGUIFSOHP-QUCCMNQESA-N 1 1 481.710 4.497 20 0 JIADMO COC(=O)c1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2C)cc1 ZINC001164804021 721573472 /nfs/dbraw/zinc/57/34/72/721573472.db2.gz KSJJKSSTSVMYBN-KLJDGLGGSA-N 1 1 472.589 4.107 20 0 JIADMO Cc1sc2nc(CN3CCCC3)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1C ZINC001164806263 721577572 /nfs/dbraw/zinc/57/75/72/721577572.db2.gz MQVRPUHEKHZEKL-OTNCWRBYSA-N 1 1 492.693 4.167 20 0 JIADMO Cc1sc2nc(CN3CCCC3)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1C ZINC001164806263 721577575 /nfs/dbraw/zinc/57/75/75/721577575.db2.gz MQVRPUHEKHZEKL-OTNCWRBYSA-N 1 1 492.693 4.167 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)[C@H]2CCCO[C@@H]12 ZINC001164801144 721582436 /nfs/dbraw/zinc/58/24/36/721582436.db2.gz DSFSAKGQXFECNP-NNMXDRDESA-N 1 1 486.954 4.000 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)[C@H]2CCCO[C@@H]12 ZINC001164801144 721582437 /nfs/dbraw/zinc/58/24/37/721582437.db2.gz DSFSAKGQXFECNP-NNMXDRDESA-N 1 1 486.954 4.000 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)[C@H]2CCCO[C@H]12 ZINC001164800731 721584465 /nfs/dbraw/zinc/58/44/65/721584465.db2.gz CNRUNIKTBCTFKJ-VRUIKYSZSA-N 1 1 483.975 4.188 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)[C@H]2CCCO[C@H]12 ZINC001164800731 721584467 /nfs/dbraw/zinc/58/44/67/721584467.db2.gz CNRUNIKTBCTFKJ-VRUIKYSZSA-N 1 1 483.975 4.188 20 0 JIADMO O=C(NCc1ccccc1)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908526 721586418 /nfs/dbraw/zinc/58/64/18/721586418.db2.gz ZXCHGQYMWLUZRQ-SANMLTNESA-N 1 1 477.559 4.144 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2F)[C@H]2CCCO[C@@H]12 ZINC001164801012 721589118 /nfs/dbraw/zinc/58/91/18/721589118.db2.gz DKUKUZLTSFIHGP-CZTZKLFOSA-N 1 1 469.948 4.325 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2F)[C@H]2CCCO[C@@H]12 ZINC001164801012 721589119 /nfs/dbraw/zinc/58/91/19/721589119.db2.gz DKUKUZLTSFIHGP-CZTZKLFOSA-N 1 1 469.948 4.325 20 0 JIADMO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164802599 721589795 /nfs/dbraw/zinc/58/97/95/721589795.db2.gz GZTNTFRPSJDQAJ-NWSQWKLXSA-N 1 1 465.985 4.494 20 0 JIADMO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164802599 721589797 /nfs/dbraw/zinc/58/97/97/721589797.db2.gz GZTNTFRPSJDQAJ-NWSQWKLXSA-N 1 1 465.985 4.494 20 0 JIADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCC4(CCOC[C@@H]4COc4cccnc4)CC3)C2)cc1 ZINC001164802631 721603604 /nfs/dbraw/zinc/60/36/04/721603604.db2.gz SARMYEYNJGSKEQ-XMMPIXPASA-N 1 1 485.632 4.132 20 0 JIADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCC4(CCOC[C@@H]4COc4cccnc4)CC3)C2)cc1 ZINC001164802631 721603606 /nfs/dbraw/zinc/60/36/06/721603606.db2.gz SARMYEYNJGSKEQ-XMMPIXPASA-N 1 1 485.632 4.132 20 0 JIADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164904331 721710245 /nfs/dbraw/zinc/71/02/45/721710245.db2.gz BPMHRPGMLFKMNT-QHCPKHFHSA-N 1 1 477.987 4.350 20 0 JIADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904958 721712965 /nfs/dbraw/zinc/71/29/65/721712965.db2.gz FWNMLEBGMBBYMJ-RUZDIDTESA-N 1 1 493.537 4.146 20 0 JIADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2)C1 ZINC001164906554 721722483 /nfs/dbraw/zinc/72/24/83/721722483.db2.gz MTVLROQYQXSVGW-NLFFAJNJSA-N 1 1 469.580 4.086 20 0 JIADMO FC(F)(c1c2c(nnc1Cl)CCC2)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913429 721725161 /nfs/dbraw/zinc/72/51/61/721725161.db2.gz VRGJJJAJEJHRKH-HXUWFJFHSA-N 1 1 469.914 4.296 20 0 JIADMO COc1cc2cnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cc2cc1OC ZINC001164913851 721726486 /nfs/dbraw/zinc/72/64/86/721726486.db2.gz YYDVNOUBDPTILY-XMMPIXPASA-N 1 1 454.521 4.385 20 0 JIADMO COc1ccccc1-c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncn1 ZINC001164913821 721726695 /nfs/dbraw/zinc/72/66/95/721726695.db2.gz YFMLNZNAZBWZPN-XMMPIXPASA-N 1 1 451.521 4.285 20 0 JIADMO COc1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)c(OC)c1 ZINC001164913070 721730680 /nfs/dbraw/zinc/73/06/80/721730680.db2.gz RYXMBKPMSHWPPH-RUZDIDTESA-N 1 1 481.547 4.294 20 0 JIADMO Fc1ccc2c(c1)[nH]c1ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c21 ZINC001164913113 721738450 /nfs/dbraw/zinc/73/84/50/721738450.db2.gz SZWCFEVKQYOSLR-HSZRJFAPSA-N 1 1 452.484 4.383 20 0 JIADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)CC1 ZINC001165012838 721747057 /nfs/dbraw/zinc/74/70/57/721747057.db2.gz OORFOFOAJRUFGD-UHFFFAOYSA-N 1 1 492.998 4.382 20 0 JIADMO COc1cccc(-c2cc(C(F)(F)N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)cnc2Cl)c1 ZINC001165012196 721750495 /nfs/dbraw/zinc/75/04/95/721750495.db2.gz CAZGMMNJLHGTFM-UHFFFAOYSA-N 1 1 492.998 4.479 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)C2 ZINC001164909023 721754209 /nfs/dbraw/zinc/75/42/09/721754209.db2.gz CTWXGWLCGXMRGC-NRFANRHFSA-N 1 1 493.999 4.362 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)C2 ZINC001164909023 721754211 /nfs/dbraw/zinc/75/42/11/721754211.db2.gz CTWXGWLCGXMRGC-NRFANRHFSA-N 1 1 493.999 4.362 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)nc1 ZINC001165016913 721782681 /nfs/dbraw/zinc/78/26/81/721782681.db2.gz FLGLKTZYSRSELL-TWZJLLKVSA-N 1 1 453.631 4.058 20 0 JIADMO O=C1[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]2CN1c1cccnc1 ZINC001165018347 721791999 /nfs/dbraw/zinc/79/19/99/721791999.db2.gz IBTSXAFKVMUUHW-GHTZIAJQSA-N 1 1 488.661 4.050 20 0 JIADMO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165027213 721799909 /nfs/dbraw/zinc/79/99/09/721799909.db2.gz UIHNRCUBNQOJSD-ILWGZMRPSA-N 1 1 484.604 4.191 20 0 JIADMO Clc1ccc2ccc(Cl)c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2n1 ZINC001164914731 721800081 /nfs/dbraw/zinc/80/00/81/721800081.db2.gz QZEJVUAHJGELJP-HSZRJFAPSA-N 1 1 459.377 4.044 20 0 JIADMO Clc1ccc2ccc(Cl)c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2n1 ZINC001164914731 721800082 /nfs/dbraw/zinc/80/00/82/721800082.db2.gz QZEJVUAHJGELJP-HSZRJFAPSA-N 1 1 459.377 4.044 20 0 JIADMO COC(=O)c1ccc2nc(Cl)c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc2c1 ZINC001165028195 721802438 /nfs/dbraw/zinc/80/24/38/721802438.db2.gz ZAZRXSNARNAUSR-KPLVRAHFSA-N 1 1 465.985 4.202 20 0 JIADMO c1cncc(O[C@H]2CO[C@]3(CCN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C3)C2)c1 ZINC001164916095 721806923 /nfs/dbraw/zinc/80/69/23/721806923.db2.gz NFOAOPFYLMOJAX-NFQMXDRXSA-N 1 1 491.661 4.378 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3CCN(Cc3ccccc3)C4)C[C@H]21 ZINC001165018944 721809754 /nfs/dbraw/zinc/80/97/54/721809754.db2.gz BBYBSCRMWIDJSA-DANFDKMISA-N 1 1 468.649 4.167 20 0 JIADMO COc1cc2nc(Cl)c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc2cc1OC ZINC001165023545 721813273 /nfs/dbraw/zinc/81/32/73/721813273.db2.gz HTUCCMBMYOITSY-YRISNDGFSA-N 1 1 468.001 4.432 20 0 JIADMO CCOC(=O)c1cc2c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001165029001 721816790 /nfs/dbraw/zinc/81/67/90/721816790.db2.gz YONHJJMRTXSGDR-NGYIFUPDSA-N 1 1 461.610 4.488 20 0 JIADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026159 721821203 /nfs/dbraw/zinc/82/12/03/721821203.db2.gz OFWCUYJWTFSIRI-ZAAXVRCTSA-N 1 1 464.944 4.198 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)C[C@@H]21 ZINC001165027520 721828856 /nfs/dbraw/zinc/82/88/56/721828856.db2.gz SMUUCBMOVXXLGE-YTQUADARSA-N 1 1 474.943 4.462 20 0 JIADMO C[NH+](C)[C@H]1CCCN(C(F)(F)c2ccccc2S(=O)(=O)Nc2nc3ccccc3nc2Cl)C1 ZINC001165037858 721896301 /nfs/dbraw/zinc/89/63/01/721896301.db2.gz ZZSBQCYJMWUVDS-HNNXBMFYSA-N 1 1 495.983 4.159 20 0 JIADMO COc1ccc2nc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164938456 721920311 /nfs/dbraw/zinc/92/03/11/721920311.db2.gz OWDGTKXCIFURIT-UHFFFAOYSA-N 1 1 452.986 4.472 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938907 721927253 /nfs/dbraw/zinc/92/72/53/721927253.db2.gz AQUDHXFYENHEQL-UHFFFAOYSA-N 1 1 458.002 4.400 20 0 JIADMO COc1ccc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc1Cl ZINC001164940637 721927538 /nfs/dbraw/zinc/92/75/38/721927538.db2.gz VFEGBVKXEWVJLC-UHFFFAOYSA-N 1 1 451.945 4.468 20 0 JIADMO Cc1cc2nc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)nc(N3CCOCC3)c2s1 ZINC001164938608 721927715 /nfs/dbraw/zinc/92/77/15/721927715.db2.gz AOTFJXKANJVHGZ-UHFFFAOYSA-N 1 1 493.677 4.016 20 0 JIADMO 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4.354 20 0 JIADMO CO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001316329492 1066085554 /nfs/dbraw/zinc/08/55/54/1066085554.db2.gz SPSSWQCNZWYLJU-UPVQGACJSA-N 1 1 455.647 4.354 20 0 JIADMO CSC(C)(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001316368146 1066112787 /nfs/dbraw/zinc/11/27/87/1066112787.db2.gz PLJKEBNLWNXRJR-UHFFFAOYSA-N 1 1 473.687 4.415 20 0 JIADMO CSC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001316373488 1066127909 /nfs/dbraw/zinc/12/79/09/1066127909.db2.gz ZASXSODKFBBCQG-GOSISDBHSA-N 1 1 456.685 4.350 20 0 JIADMO CS[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001316376997 1066140311 /nfs/dbraw/zinc/14/03/11/1066140311.db2.gz LMBVKQYKFCSBDC-LPHOPBHVSA-N 1 1 489.487 4.498 20 0 JIADMO CS[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001316384307 1066153360 /nfs/dbraw/zinc/15/33/60/1066153360.db2.gz SRRIXPNCACXWQG-NHCUHLMSSA-N 1 1 450.656 4.116 20 0 JIADMO CS[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)C(C)(C)C ZINC001316388214 1066159954 /nfs/dbraw/zinc/15/99/54/1066159954.db2.gz MBSWBSOEARMFLI-MQSCRBSSSA-N 1 1 487.714 4.333 20 0 JIADMO CS[C@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1)C(C)(C)C ZINC001316388214 1066159957 /nfs/dbraw/zinc/15/99/57/1066159957.db2.gz MBSWBSOEARMFLI-MQSCRBSSSA-N 1 1 487.714 4.333 20 0 JIADMO CS[C@@H](C)Cn1c(CCc2ccccc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001316388465 1066160587 /nfs/dbraw/zinc/16/05/87/1066160587.db2.gz VHPWBPFRZSKRFL-BDTNDASRSA-N 1 1 471.715 4.140 20 0 JIADMO CS[C@H](Cn1c(C2CCCC2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)C(C)(C)C ZINC001316391262 1066164589 /nfs/dbraw/zinc/16/45/89/1066164589.db2.gz IATHZBSXJMAZIQ-AJSBUHFISA-N 1 1 490.762 4.092 20 0 JIADMO CS[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)C(C)(C)C ZINC001316395796 1066172397 /nfs/dbraw/zinc/17/23/97/1066172397.db2.gz QYFANOFASWCIOD-DEOSSOPVSA-N 1 1 495.741 4.287 20 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C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc[nH]3)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C[C@H](C)O1 ZINC001316502652 1066466241 /nfs/dbraw/zinc/46/62/41/1066466241.db2.gz BLMAPCSSIQCZSZ-FVJLSDCUSA-N 1 1 494.537 4.440 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C3CCCC3)n2Cc2ccccc2OC(F)F)C[C@H](C)O1 ZINC001316502902 1066467007 /nfs/dbraw/zinc/46/70/07/1066467007.db2.gz KLSFAJHTTHWMQC-HDICACEKSA-N 1 1 463.573 4.131 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C3CCCC3)n2Cc2ccccc2OC(F)F)C[C@H](C)O1 ZINC001316502902 1066467014 /nfs/dbraw/zinc/46/70/14/1066467014.db2.gz KLSFAJHTTHWMQC-HDICACEKSA-N 1 1 463.573 4.131 20 0 JIADMO 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 1066473309 /nfs/dbraw/zinc/47/33/09/1066473309.db2.gz GZUZDLKXDGSBPT-OQLXKQOESA-N 1 1 488.746 4.266 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC(C)(C)C)n2CC[C@@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC001316504226 1066474668 /nfs/dbraw/zinc/47/46/68/1066474668.db2.gz ZFYKFAYFAQCKEX-BHIFYINESA-N 1 1 469.674 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/nfs/dbraw/zinc/75/00/11/1066750011.db2.gz YYDPOMBGZWHFGJ-QHCPKHFHSA-N 1 1 486.645 4.078 20 0 JIADMO COc1cc(-c2noc(CN3CCC[N@@H+](Cc4ccc(C)cc4)CC3)n2)ccc1OC(F)F ZINC001317880234 1066750547 /nfs/dbraw/zinc/75/05/47/1066750547.db2.gz UTTXLSSEHJWQPS-UHFFFAOYSA-N 1 1 458.509 4.363 20 0 JIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCCNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001317889901 1066759408 /nfs/dbraw/zinc/75/94/08/1066759408.db2.gz VKMBCYQMDLGMPR-KDURUIRLSA-N 1 1 490.570 4.413 20 0 JIADMO CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC(c4nc5ccccc5o4)CC3)cc2)CC1 ZINC001317890881 1066760081 /nfs/dbraw/zinc/76/00/81/1066760081.db2.gz IAAKCIAIGJYXFX-UHFFFAOYSA-N 1 1 461.610 4.055 20 0 JIADMO Cc1nn(-c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc2)c(C)c1Br ZINC001348868367 1066784119 /nfs/dbraw/zinc/78/41/19/1066784119.db2.gz QGEKIROCODCTHH-OAQYLSRUSA-N 1 1 453.384 4.381 20 0 JIADMO Cc1nn(-c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cc2)c(C)c1Br ZINC001348868367 1066784132 /nfs/dbraw/zinc/78/41/32/1066784132.db2.gz QGEKIROCODCTHH-OAQYLSRUSA-N 1 1 453.384 4.381 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC001317925234 1066789937 /nfs/dbraw/zinc/78/99/37/1066789937.db2.gz WGLQDSIURGPFAV-RUZDIDTESA-N 1 1 463.622 4.028 20 0 JIADMO 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 1066815776 /nfs/dbraw/zinc/81/57/76/1066815776.db2.gz NQHYOQXSYVKKOM-IAGOWNOFSA-N 1 1 457.537 4.289 20 0 JIADMO C[N@@H+](Cc1ccccc1CNC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCCCC1 ZINC001317985733 1066832682 /nfs/dbraw/zinc/83/26/82/1066832682.db2.gz SXHLOSJSRVTGNJ-XMMPIXPASA-N 1 1 462.638 4.083 20 0 JIADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC001349382197 1066836500 /nfs/dbraw/zinc/83/65/00/1066836500.db2.gz WOEPXWQXGXXWKO-ACSSMRJVSA-N 1 1 477.630 4.387 20 0 JIADMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)ccc2Cl)cc1Cl ZINC001318061712 1066878983 /nfs/dbraw/zinc/87/89/83/1066878983.db2.gz JEEZDLBPNOCMMD-SFHVURJKSA-N 1 1 482.433 4.413 20 0 JIADMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)ccc2Cl)cc1Cl ZINC001318061712 1066878987 /nfs/dbraw/zinc/87/89/87/1066878987.db2.gz JEEZDLBPNOCMMD-SFHVURJKSA-N 1 1 482.433 4.413 20 0 JIADMO COc1cc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)ccc1OCc1ccc(Br)cc1 ZINC001318065736 1066881535 /nfs/dbraw/zinc/88/15/35/1066881535.db2.gz ZSHNSRTYGMPVLI-FQEVSTJZSA-N 1 1 459.384 4.347 20 0 JIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(Br)ncc1Br ZINC001349794908 1066884125 /nfs/dbraw/zinc/88/41/25/1066884125.db2.gz RWDBLCSCPZBLFM-AWEZNQCLSA-N 1 1 457.166 4.157 20 0 JIADMO COc1cccc(N2CCC(NC(=O)[C@@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001318170860 1066937399 /nfs/dbraw/zinc/93/73/99/1066937399.db2.gz SKODSDQLLWSEOS-XMMPIXPASA-N 1 1 461.528 4.235 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)C1 ZINC001318173880 1066939618 /nfs/dbraw/zinc/93/96/18/1066939618.db2.gz SOHBKDVHNWYBQQ-SFHVURJKSA-N 1 1 463.578 4.389 20 0 JIADMO CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc1 ZINC001350372860 1066949796 /nfs/dbraw/zinc/94/97/96/1066949796.db2.gz BSUDTFAWSFJGRQ-RRPNLBNLSA-N 1 1 455.602 4.277 20 0 JIADMO CC[C@H](CNC(=O)NCc1ccc(-n2cnc3ccccc32)nc1)[N@H+]1CCc2ccccc2C1 ZINC001318192316 1066950314 /nfs/dbraw/zinc/95/03/14/1066950314.db2.gz HWLWWPXSAHLKOX-HSZRJFAPSA-N 1 1 454.578 4.057 20 0 JIADMO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC001318192388 1066950380 /nfs/dbraw/zinc/95/03/80/1066950380.db2.gz KGTIGDIAVQDNRA-UHFFFAOYSA-N 1 1 488.579 4.453 20 0 JIADMO COc1cc(Br)c(OC)c(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001318197749 1066953105 /nfs/dbraw/zinc/95/31/05/1066953105.db2.gz BNKHPBPQRYDHSY-UHFFFAOYSA-N 1 1 461.400 4.451 20 0 JIADMO CC(C)[C@@](C)(Cc1ccccc1)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001350485077 1066963416 /nfs/dbraw/zinc/96/34/16/1066963416.db2.gz WGKIDPKEKHYCMP-AREMUKBSSA-N 1 1 455.574 4.330 20 0 JIADMO Cc1[nH+]ccn1CCCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001492547830 1066973121 /nfs/dbraw/zinc/97/31/21/1066973121.db2.gz KWYPQIXRQIKXSQ-HSZRJFAPSA-N 1 1 452.603 4.012 20 0 JIADMO Cc1[nH]c2ccccc2c1C1CCN(C(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC001318250978 1066984006 /nfs/dbraw/zinc/98/40/06/1066984006.db2.gz SSEOEPBCIIAFJP-UHFFFAOYSA-N 1 1 459.638 4.313 20 0 JIADMO CCC[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC001350772082 1066999928 /nfs/dbraw/zinc/99/99/28/1066999928.db2.gz PFTPZYQYCFQJLB-ISKFKSNPSA-N 1 1 454.014 4.346 20 0 JIADMO O=C(c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318394492 1067037421 /nfs/dbraw/zinc/03/74/21/1067037421.db2.gz KAGCIWRSHXMZPG-LBPRGKRZSA-N 1 1 463.838 4.187 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(CC(=O)Nc3nc(-c4c[nH]c5ccccc54)cs3)C2)ccn1 ZINC001351119115 1067048726 /nfs/dbraw/zinc/04/87/26/1067048726.db2.gz ZXUXKHZGCCRFNB-HXUWFJFHSA-N 1 1 490.633 4.230 20 0 JIADMO Cc1cc(N2CCC(NC(=O)COc3ccc(C4SCCCS4)cc3)CC2)nc(C)[nH+]1 ZINC001354699724 1067050727 /nfs/dbraw/zinc/05/07/27/1067050727.db2.gz WPSAAPFUGZONGF-UHFFFAOYSA-N 1 1 458.653 4.126 20 0 JIADMO C[NH+](C)[C@@H](CNC(=O)c1nn(-c2ccccc2F)cc1Br)c1ccccc1Cl ZINC001318799079 1067060981 /nfs/dbraw/zinc/06/09/81/1067060981.db2.gz BVVQBJPYDUDWIV-SFHVURJKSA-N 1 1 465.754 4.460 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)c1 ZINC001351236095 1067062311 /nfs/dbraw/zinc/06/23/11/1067062311.db2.gz FHCVOQZTQNKCOL-QFIPXVFZSA-N 1 1 451.473 4.459 20 0 JIADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cc(F)c(Oc3ccccc3)c(F)c2)c1 ZINC001351236095 1067062328 /nfs/dbraw/zinc/06/23/28/1067062328.db2.gz FHCVOQZTQNKCOL-QFIPXVFZSA-N 1 1 451.473 4.459 20 0 JIADMO C[C@@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001351237811 1067063633 /nfs/dbraw/zinc/06/36/33/1067063633.db2.gz SKBROHDDRMNBBB-KBMIEXCESA-N 1 1 455.558 4.110 20 0 JIADMO C[C@@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001351237811 1067063644 /nfs/dbraw/zinc/06/36/44/1067063644.db2.gz SKBROHDDRMNBBB-KBMIEXCESA-N 1 1 455.558 4.110 20 0 JIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1nn(-c2ccccc2)cc1Br ZINC001354731400 1067066910 /nfs/dbraw/zinc/06/69/10/1067066910.db2.gz QXGRATMLBXAEAV-UWJYYQICSA-N 1 1 453.384 4.275 20 0 JIADMO CC(C)[C@H](CNC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)N1CC[NH+](C)CC1 ZINC001200780512 1067092857 /nfs/dbraw/zinc/09/28/57/1067092857.db2.gz DVDVHSAWSJWEHF-INIZCTEOSA-N 1 1 452.974 4.388 20 0 JIADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cc(Br)c4ccccc4c3)cc2)CC1 ZINC001351516327 1067115157 /nfs/dbraw/zinc/11/51/57/1067115157.db2.gz XAZKYHICYZSNIY-UHFFFAOYSA-N 1 1 452.352 4.242 20 0 JIADMO CN1CC[NH+](CCOc2ccc(NCc3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc2)CC1 ZINC001200791251 1067127725 /nfs/dbraw/zinc/12/77/25/1067127725.db2.gz HJPNATNLWXSDDM-UHFFFAOYSA-N 1 1 459.516 4.129 20 0 JIADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c1 ZINC001354845024 1067184539 /nfs/dbraw/zinc/18/45/39/1067184539.db2.gz VHKNHDCIXHHKKO-RRPNLBNLSA-N 1 1 470.617 4.349 20 0 JIADMO C[N@H+]1CCC[C@H]2CN(C(=S)Nc3c(F)cc(Br)cc3Br)C[C@@H]21 ZINC001200802698 1067210557 /nfs/dbraw/zinc/21/05/57/1067210557.db2.gz ZRWXMRBOHZGBMW-ZANVPECISA-N 1 1 451.203 4.074 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001492549293 1067211809 /nfs/dbraw/zinc/21/18/09/1067211809.db2.gz WQBMCPAWTBFEBP-YADHBBJMSA-N 1 1 455.647 4.290 20 0 JIADMO COC(=O)c1ccc(C[NH2+][C@@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)cc1C ZINC001200803339 1067212907 /nfs/dbraw/zinc/21/29/07/1067212907.db2.gz SCNWEMPTFIVUSP-DEOSSOPVSA-N 1 1 453.560 4.073 20 0 JIADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3nn(-c4ccccc4F)cc3Br)cc2)CC1 ZINC001321833786 1067216498 /nfs/dbraw/zinc/21/64/98/1067216498.db2.gz DRKZIQURKWTVLK-UHFFFAOYSA-N 1 1 486.389 4.164 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001300758029 1067289678 /nfs/dbraw/zinc/28/96/78/1067289678.db2.gz PATIFJZGIQDJQE-BBTUJRGHSA-N 1 1 463.573 4.282 20 0 JIADMO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)c2ccc(F)cc2)c1 ZINC001200821639 1067294648 /nfs/dbraw/zinc/29/46/48/1067294648.db2.gz OSAKEYBJMLEOHC-NOZRDPDXSA-N 1 1 455.551 4.276 20 0 JIADMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC001322503065 1067299558 /nfs/dbraw/zinc/29/95/58/1067299558.db2.gz HHKVUOGTIXAFRQ-UHFFFAOYSA-N 1 1 471.667 4.154 20 0 JIADMO CCCS(=O)(=O)Nc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC001200823348 1067299717 /nfs/dbraw/zinc/29/97/17/1067299717.db2.gz ZPHVREHTRSIBJK-UZLBHIALSA-N 1 1 450.630 4.104 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001300761560 1067301196 /nfs/dbraw/zinc/30/11/96/1067301196.db2.gz QGTAAZMYWOGIHA-IEBWSBKVSA-N 1 1 482.456 4.368 20 0 JIADMO COC(=O)[C@]1(NC(=S)Nc2c(C)cc(Cl)cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001200825124 1067302748 /nfs/dbraw/zinc/30/27/48/1067302748.db2.gz OBEUARDZTRDJNR-NRFANRHFSA-N 1 1 452.407 4.406 20 0 JIADMO CC[NH+](CC)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)CC1 ZINC001322588587 1067303995 /nfs/dbraw/zinc/30/39/95/1067303995.db2.gz DLKIAPXHNWUIFZ-UHFFFAOYSA-N 1 1 480.030 4.096 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCN(C(=O)c4ccccc4OC(F)F)C3)CC2)cc1 ZINC001322770273 1067308673 /nfs/dbraw/zinc/30/86/73/1067308673.db2.gz UMQFZVFVYBPPFW-JOCHJYFZSA-N 1 1 485.575 4.183 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001492552621 1067318451 /nfs/dbraw/zinc/31/84/51/1067318451.db2.gz BSKYOHWTGKXVNE-JPYHZWLXSA-N 1 1 499.700 4.181 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc(F)cc3)n2CC2CCN(CC[NH+](C)C)CC2)n1 ZINC001492494792 1067319413 /nfs/dbraw/zinc/31/94/13/1067319413.db2.gz IAAQALWYOCLPBR-OAQYLSRUSA-N 1 1 479.648 4.259 20 0 JIADMO CO[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001300771763 1067320359 /nfs/dbraw/zinc/32/03/59/1067320359.db2.gz FBLNOLSHCLOBCD-UPVQGACJSA-N 1 1 455.647 4.354 20 0 JIADMO O=S(=O)(c1sccc1Br)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001475041115 1067320453 /nfs/dbraw/zinc/32/04/53/1067320453.db2.gz WRGCRICZTMSYKK-IBGZPJMESA-N 1 1 455.443 4.187 20 0 JIADMO O=S(=O)(c1sccc1Br)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001475041116 1067320613 /nfs/dbraw/zinc/32/06/13/1067320613.db2.gz WRGCRICZTMSYKK-LJQANCHMSA-N 1 1 455.443 4.187 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2CC[N@@H+](C)C2CCCC2)n1 ZINC001492495157 1067323150 /nfs/dbraw/zinc/32/31/50/1067323150.db2.gz RCLDNBGKZMEKPU-FQEVSTJZSA-N 1 1 496.681 4.124 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001300772751 1067323596 /nfs/dbraw/zinc/32/35/96/1067323596.db2.gz MEBGUCMIRUHQLZ-NFBKMPQASA-N 1 1 476.065 4.494 20 0 JIADMO 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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 1067723679 /nfs/dbraw/zinc/72/36/79/1067723679.db2.gz YRPDXWUEAGEJOT-MYGLTJDJSA-N 1 1 469.674 4.052 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC=C(Br)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC001300119558 1067734074 /nfs/dbraw/zinc/73/40/74/1067734074.db2.gz HYGBMNWRVMAFIW-QGZVFWFLSA-N 1 1 474.447 4.044 20 0 JIADMO Cc1onc(-c2cccnc2)c1C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC001356377224 1067739087 /nfs/dbraw/zinc/73/90/87/1067739087.db2.gz DIMXOVBPKWIYFL-OAHLLOKOSA-N 1 1 451.502 4.249 20 0 JIADMO Cc1onc(-c2cccnc2)c1C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC001356377224 1067739093 /nfs/dbraw/zinc/73/90/93/1067739093.db2.gz DIMXOVBPKWIYFL-OAHLLOKOSA-N 1 1 451.502 4.249 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001300123334 1067744047 /nfs/dbraw/zinc/74/40/47/1067744047.db2.gz RRJZURHJQSHJHJ-KNQAVFIVSA-N 1 1 495.590 4.104 20 0 JIADMO CO[C@@H]1CCN(C(=S)Nc2ccc(C)cc2Br)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001200146935 1067757365 /nfs/dbraw/zinc/75/73/65/1067757365.db2.gz YCUQSTLSRRVLHK-IOMROCGXSA-N 1 1 475.456 4.071 20 0 JIADMO O=C(Nc1ccccc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1Br ZINC001300129790 1067764804 /nfs/dbraw/zinc/76/48/04/1067764804.db2.gz PLIRVTSPDSFBHM-NHCUHLMSSA-N 1 1 456.384 4.448 20 0 JIADMO CSc1ccc(N2C[C@H](C(=O)NCC[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2=O)cc1 ZINC001356502148 1067765126 /nfs/dbraw/zinc/76/51/26/1067765126.db2.gz NJDZDKMSSBABBF-BAGYTPMASA-N 1 1 451.636 4.178 20 0 JIADMO C[C@H]1C[C@@H](CCNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC001356503061 1067766054 /nfs/dbraw/zinc/76/60/54/1067766054.db2.gz RJCIIIGOSFQNKF-FUHWJXTLSA-N 1 1 454.514 4.011 20 0 JIADMO COc1ccc(CCCN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300132746 1067771089 /nfs/dbraw/zinc/77/10/89/1067771089.db2.gz DRMDYSKUCPDGKE-UPVQGACJSA-N 1 1 469.674 4.370 20 0 JIADMO Cc1ccc(Nc2nc(N)nc(C[N@@H+]3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)n2)cc1 ZINC000507946988 1067798262 /nfs/dbraw/zinc/79/82/62/1067798262.db2.gz BCLMDRPUTNVIIR-KRWDZBQOSA-N 1 1 460.517 4.075 20 0 JIADMO Cc1ccc(Nc2nc(N)nc(C[N@H+]3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)n2)cc1 ZINC000507946988 1067798275 /nfs/dbraw/zinc/79/82/75/1067798275.db2.gz BCLMDRPUTNVIIR-KRWDZBQOSA-N 1 1 460.517 4.075 20 0 JIADMO COc1ccc(CCn2c(CC(C)C)nnc2N2CC[NH+](Cc3ccsc3)CC2)cc1OC ZINC001300148373 1067802426 /nfs/dbraw/zinc/80/24/26/1067802426.db2.gz CLBGTNURIIQACK-UHFFFAOYSA-N 1 1 469.655 4.120 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccc3cc(Br)ccc3c2)c1 ZINC001357124443 1067806671 /nfs/dbraw/zinc/80/66/71/1067806671.db2.gz GNCRJLWVHDYUEE-NRFANRHFSA-N 1 1 452.352 4.304 20 0 JIADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc3cc(Br)ccc3c2)c1 ZINC001357124443 1067806673 /nfs/dbraw/zinc/80/66/73/1067806673.db2.gz GNCRJLWVHDYUEE-NRFANRHFSA-N 1 1 452.352 4.304 20 0 JIADMO CCOC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)c1 ZINC001357209105 1067818875 /nfs/dbraw/zinc/81/88/75/1067818875.db2.gz HLLXIMVRRVHGFL-UHFFFAOYSA-N 1 1 456.518 4.379 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300164545 1067822022 /nfs/dbraw/zinc/82/20/22/1067822022.db2.gz TXVOJJMXLCXIPC-YIXXDRMTSA-N 1 1 485.673 4.084 20 0 JIADMO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2CCCn3cc[nH+]c32)c(OC)c1 ZINC001300173129 1067832287 /nfs/dbraw/zinc/83/22/87/1067832287.db2.gz OUFLNARUAHXHEZ-IBGZPJMESA-N 1 1 452.603 4.294 20 0 JIADMO COc1ccc(NC(=S)Nc2c(C)cccc2Cl)cc1OCCC[NH+]1CCN(C)CC1 ZINC001200198764 1067833119 /nfs/dbraw/zinc/83/31/19/1067833119.db2.gz CEXBKONWMWBGNF-UHFFFAOYSA-N 1 1 463.047 4.482 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300176468 1067836491 /nfs/dbraw/zinc/83/64/91/1067836491.db2.gz UQZKOVFTKABGCP-NHCUHLMSSA-N 1 1 478.641 4.038 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001300176804 1067837475 /nfs/dbraw/zinc/83/74/75/1067837475.db2.gz GFYKLPZGAPWQPB-FQEVSTJZSA-N 1 1 469.655 4.076 20 0 JIADMO C[C@@H](c1ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1)[NH+]1CCOCC1 ZINC001353055248 1067846837 /nfs/dbraw/zinc/84/68/37/1067846837.db2.gz CGZCOZOKGKGVIS-CVDCTZTESA-N 1 1 453.583 4.327 20 0 JIADMO C[C@H](c1ccc(NC(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)cc1)[NH+]1CCOCC1 ZINC001353056938 1067848038 /nfs/dbraw/zinc/84/80/38/1067848038.db2.gz SGURYLKWASGVIM-CYBMUJFWSA-N 1 1 457.379 4.042 20 0 JIADMO CCOC(=O)C[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC001357434235 1067849547 /nfs/dbraw/zinc/84/95/47/1067849547.db2.gz FZVWPGUNKVTOKE-CTNGQTDRSA-N 1 1 459.384 4.082 20 0 JIADMO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[N@@H+]3CCc4cccc(Br)c4C3)C2)C1 ZINC001473277018 1067850918 /nfs/dbraw/zinc/85/09/18/1067850918.db2.gz QVCNGAWAGBDSSZ-VGOFRKELSA-N 1 1 451.405 4.223 20 0 JIADMO CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](C[N@H+]3CCc4cccc(Br)c4C3)C2)C1 ZINC001473277018 1067850920 /nfs/dbraw/zinc/85/09/20/1067850920.db2.gz QVCNGAWAGBDSSZ-VGOFRKELSA-N 1 1 451.405 4.223 20 0 JIADMO C[C@@H](Cc1cnn(C)c1)C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC001357488047 1067857621 /nfs/dbraw/zinc/85/76/21/1067857621.db2.gz KTXHMFZFPMYXQV-IBGZPJMESA-N 1 1 452.002 4.213 20 0 JIADMO O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC001473291572 1067875048 /nfs/dbraw/zinc/87/50/48/1067875048.db2.gz HFEGGURAXWCBCU-DYXWJJEUSA-N 1 1 456.327 4.055 20 0 JIADMO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c(OC)c1 ZINC001473291784 1067875618 /nfs/dbraw/zinc/87/56/18/1067875618.db2.gz JDSGFIGNTPRMIO-NFBKMPQASA-N 1 1 454.542 4.244 20 0 JIADMO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c(OC)c1 ZINC001473291784 1067875619 /nfs/dbraw/zinc/87/56/19/1067875619.db2.gz JDSGFIGNTPRMIO-NFBKMPQASA-N 1 1 454.542 4.244 20 0 JIADMO CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001300206942 1067878617 /nfs/dbraw/zinc/87/86/17/1067878617.db2.gz UYGXHHALTMJZHR-KCWPFWIISA-N 1 1 451.611 4.293 20 0 JIADMO Cc1cc(Br)cc(C)c1NC(=S)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001200234997 1067879084 /nfs/dbraw/zinc/87/90/84/1067879084.db2.gz DTJOCFDMOSQIQX-QUCCMNQESA-N 1 1 462.457 4.235 20 0 JIADMO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)sc2C)s1 ZINC001353146028 1067881069 /nfs/dbraw/zinc/88/10/69/1067881069.db2.gz BWMVUKIYCHVJPR-GOSISDBHSA-N 1 1 454.621 4.277 20 0 JIADMO Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(C[N@@H+](C)Cc4ccccc4)c3)CC2)cc1F ZINC001357781375 1067899201 /nfs/dbraw/zinc/89/92/01/1067899201.db2.gz ZQVTVWWNVZQYTM-UHFFFAOYSA-N 1 1 459.565 4.364 20 0 JIADMO CCCc1c(C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)cnn1-c1cccc(C)c1 ZINC001357804901 1067905211 /nfs/dbraw/zinc/90/52/11/1067905211.db2.gz HONZGERXHWHGIX-UHFFFAOYSA-N 1 1 459.594 4.050 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCCOC2)n1CCC[N@@H+](C)C(C)C ZINC001300237054 1067930955 /nfs/dbraw/zinc/93/09/55/1067930955.db2.gz CLQDEDKOGIJTLB-GOSISDBHSA-N 1 1 450.027 4.201 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc(Cc2ccsc2)n1CC[N@@H+]1CC=CCC1 ZINC001300238592 1067941249 /nfs/dbraw/zinc/94/12/49/1067941249.db2.gz PEOBBVKNTWEBGT-UHFFFAOYSA-N 1 1 458.031 4.491 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CCCNC(=O)C2CCC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001492560616 1067955836 /nfs/dbraw/zinc/95/58/36/1067955836.db2.gz ZRMYPWWYXHNMHH-RBBKRZOGSA-N 1 1 466.674 4.117 20 0 JIADMO CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357960231 1067960443 /nfs/dbraw/zinc/96/04/43/1067960443.db2.gz SWGOSYUKMJGJIQ-IFMALSPDSA-N 1 1 455.549 4.221 20 0 JIADMO COc1ccc(F)cc1CN1CCN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001300245766 1067970770 /nfs/dbraw/zinc/97/07/70/1067970770.db2.gz ZUMPBCHHVLRNGJ-OAQYLSRUSA-N 1 1 486.680 4.310 20 0 JIADMO CC(C)n1ncc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1Br ZINC001358037880 1067999140 /nfs/dbraw/zinc/99/91/40/1067999140.db2.gz GYBUWVLOMRYOJC-CXAGYDPISA-N 1 1 457.775 4.442 20 0 JIADMO CC(C)n1ncc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1Br ZINC001358037880 1067999181 /nfs/dbraw/zinc/99/91/81/1067999181.db2.gz GYBUWVLOMRYOJC-CXAGYDPISA-N 1 1 457.775 4.442 20 0 JIADMO Cc1nn(-c2ccccn2)c(C)c1CC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001358039240 1068000420 /nfs/dbraw/zinc/00/04/20/1068000420.db2.gz LKEIIJNWIUKOJD-UUOWRZLLSA-N 1 1 455.965 4.028 20 0 JIADMO C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001358039332 1068000488 /nfs/dbraw/zinc/00/04/88/1068000488.db2.gz LWZDVRUBAQORLA-OBVPDXSSSA-N 1 1 451.876 4.060 20 0 JIADMO 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 1068002960 /nfs/dbraw/zinc/00/29/60/1068002960.db2.gz JMEYHVOIMFCHIG-GIWBLDEGSA-N 1 1 482.673 4.476 20 0 JIADMO 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COc1ccccc1Cc1nnc(N2CCCC(C)(C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300564506 1069047099 /nfs/dbraw/zinc/04/70/99/1069047099.db2.gz QXUGNBRVDWBFLA-OYRHEFFESA-N 1 1 469.674 4.392 20 0 JIADMO COc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)cc1 ZINC000849481034 1069049540 /nfs/dbraw/zinc/04/95/40/1069049540.db2.gz IZKNRYQKBNKDAJ-JWQCQUIFSA-N 1 1 475.593 4.134 20 0 JIADMO Cc1ccccc1[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001492573057 1069050988 /nfs/dbraw/zinc/05/09/88/1069050988.db2.gz NRYKCDHONISRJZ-XJUOHMSHSA-N 1 1 466.674 4.087 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cn1 ZINC000849487875 1069053828 /nfs/dbraw/zinc/05/38/28/1069053828.db2.gz ATRHZMPKXVDHCW-MOPGFXCFSA-N 1 1 463.529 4.160 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)[C@@H](c2cnn(C)c2)C1 ZINC000849488511 1069056577 /nfs/dbraw/zinc/05/65/77/1069056577.db2.gz CLSUMPLPCZDQSA-VQTJNVASSA-N 1 1 452.628 4.083 20 0 JIADMO COc1cc(CCC2CCN(C(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)CC2)cc(OC)c1 ZINC000849490833 1069058547 /nfs/dbraw/zinc/05/85/47/1069058547.db2.gz KTZFRKDWFOABKB-SVBPBHIXSA-N 1 1 482.669 4.123 20 0 JIADMO COc1ccc(-c2nc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)sc2C)cc1 ZINC000849490684 1069058558 /nfs/dbraw/zinc/05/85/58/1069058558.db2.gz WCCDLXGQODWDPV-SFTDATJTSA-N 1 1 453.612 4.313 20 0 JIADMO COc1ccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1NC(=O)OC(C)(C)C ZINC000849497415 1069068481 /nfs/dbraw/zinc/06/84/81/1069068481.db2.gz NXPQDUKOTUTZAP-VQTJNVASSA-N 1 1 471.602 4.228 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC(C)(C)c2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849497044 1069068638 /nfs/dbraw/zinc/06/86/38/1069068638.db2.gz CONRWFPQGOBXPZ-SFTDATJTSA-N 1 1 461.448 4.091 20 0 JIADMO Cc1nc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)sc1Cc1cccc(Br)c1 ZINC000849502431 1069074621 /nfs/dbraw/zinc/07/46/21/1069074621.db2.gz CAYFEEXJBPAEQY-RBUKOAKNSA-N 1 1 488.455 4.212 20 0 JIADMO CCOc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cn1 ZINC000849502691 1069078666 /nfs/dbraw/zinc/07/86/66/1069078666.db2.gz DRGGTHIZFGZWNR-DHIUTWEWSA-N 1 1 477.609 4.136 20 0 JIADMO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001492574508 1069080353 /nfs/dbraw/zinc/08/03/53/1069080353.db2.gz UDYFNPWPXSFFAJ-XMMPIXPASA-N 1 1 494.728 4.430 20 0 JIADMO Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)s2)cc1F ZINC000849503896 1069081312 /nfs/dbraw/zinc/08/13/12/1069081312.db2.gz MWSWWVCLRJMETM-NHCUHLMSSA-N 1 1 455.603 4.368 20 0 JIADMO Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849504891 1069083291 /nfs/dbraw/zinc/08/32/91/1069083291.db2.gz GEZKOODYCWDACR-GOTSBHOMSA-N 1 1 459.594 4.433 20 0 JIADMO CCOc1cc(Br)c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1OCC ZINC000849504695 1069084656 /nfs/dbraw/zinc/08/46/56/1069084656.db2.gz DMPHOECCUDKIBH-QZTJIDSGSA-N 1 1 493.446 4.433 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)[C@@H](c2cnn(C)c2)C1 ZINC000849505774 1069087214 /nfs/dbraw/zinc/08/72/14/1069087214.db2.gz JKLWGWQVDDWFQU-QHAWAJNXSA-N 1 1 461.006 4.084 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)[C@H](c2cnn(C)c2)C1 ZINC000849508185 1069088987 /nfs/dbraw/zinc/08/89/87/1069088987.db2.gz SQWWLOHDSHRDDC-PKTZIBPZSA-N 1 1 492.586 4.117 20 0 JIADMO CCCC(=O)Nc1nc2ccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2s1 ZINC000849509600 1069092558 /nfs/dbraw/zinc/09/25/58/1069092558.db2.gz ZWWFDJXYKHIOQN-RTBURBONSA-N 1 1 468.627 4.221 20 0 JIADMO CCCC(=O)Nc1nc2ccc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2s1 ZINC000849509599 1069092778 /nfs/dbraw/zinc/09/27/78/1069092778.db2.gz ZWWFDJXYKHIOQN-RBUKOAKNSA-N 1 1 468.627 4.221 20 0 JIADMO 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 1069093299 /nfs/dbraw/zinc/09/32/99/1069093299.db2.gz YGYCFNCCDPUZHJ-ORYQWCPZSA-N 1 1 452.521 4.053 20 0 JIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccn(-c4ccc(Br)cc4)n3)cc2)CC1 ZINC001354306732 1069093787 /nfs/dbraw/zinc/09/37/87/1069093787.db2.gz ASLPDGZHQTUAHP-UHFFFAOYSA-N 1 1 454.372 4.029 20 0 JIADMO 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 1069098779 /nfs/dbraw/zinc/09/87/79/1069098779.db2.gz KHTOCGRIXYUKIV-SFTDATJTSA-N 1 1 466.548 4.356 20 0 JIADMO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n(-c2cccc(Br)c2)n1 ZINC000849514570 1069099679 /nfs/dbraw/zinc/09/96/79/1069099679.db2.gz IEFYNEZUUFHYRO-NHCUHLMSSA-N 1 1 485.430 4.129 20 0 JIADMO 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 1069101730 /nfs/dbraw/zinc/10/17/30/1069101730.db2.gz IKSIOVHPBSNQMD-NHCUHLMSSA-N 1 1 450.549 4.347 20 0 JIADMO Cc1cccc(-c2cc(NC(=O)[C@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)n(Cc3ccccc3)n2)c1 ZINC000849516994 1069103242 /nfs/dbraw/zinc/10/32/42/1069103242.db2.gz LZCOTWDRSRYYOL-DQEYMECFSA-N 1 1 468.605 4.314 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849517503 1069108013 /nfs/dbraw/zinc/10/80/13/1069108013.db2.gz CYMGCXPNLOGRKJ-PKTZIBPZSA-N 1 1 481.641 4.018 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518620 1069110196 /nfs/dbraw/zinc/11/01/96/1069110196.db2.gz OGPCEXJSIVPGEA-LOSJGSFVSA-N 1 1 471.605 4.076 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849522792 1069116580 /nfs/dbraw/zinc/11/65/80/1069116580.db2.gz ORVRCIDDXRJXLE-LOSJGSFVSA-N 1 1 472.593 4.099 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849525312 1069118314 /nfs/dbraw/zinc/11/83/14/1069118314.db2.gz MQCGZPNHJWJVHI-IRXDYDNUSA-N 1 1 481.544 4.424 20 0 JIADMO COc1ccccc1Oc1ccc(CNC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849525037 1069120063 /nfs/dbraw/zinc/12/00/63/1069120063.db2.gz MFFJPLNEWVOPKP-ZEQRLZLVSA-N 1 1 462.594 4.351 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849526334 1069121153 /nfs/dbraw/zinc/12/11/53/1069121153.db2.gz SDXAKISNQVBELQ-FCHUYYIVSA-N 1 1 492.495 4.322 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849526291 1069121363 /nfs/dbraw/zinc/12/13/63/1069121363.db2.gz RLEBDDKKLDCVQC-DNQXCXABSA-N 1 1 478.568 4.335 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849525780 1069122561 /nfs/dbraw/zinc/12/25/61/1069122561.db2.gz OOTDFLHZUKJTTH-GOTSBHOMSA-N 1 1 478.666 4.159 20 0 JIADMO COc1ccccc1CCN(C)c1nnc(C2CCCC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001300583079 1069125588 /nfs/dbraw/zinc/12/55/88/1069125588.db2.gz OFQUASFGEOWLBV-OAQYLSRUSA-N 1 1 455.647 4.124 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)CC23CCOCC3)cn1 ZINC000849531215 1069135475 /nfs/dbraw/zinc/13/54/75/1069135475.db2.gz HDBDUBUOZVZXIQ-DRLORSAXSA-N 1 1 480.653 4.142 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849535244 1069148325 /nfs/dbraw/zinc/14/83/25/1069148325.db2.gz OJWPCPVJYODWFO-DQEYMECFSA-N 1 1 486.682 4.120 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CC23CCOCC3)cn1 ZINC000849538055 1069158590 /nfs/dbraw/zinc/15/85/90/1069158590.db2.gz XNFCZSKOIHLTOA-ZEQRLZLVSA-N 1 1 454.590 4.023 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)CC23CCOCC3)cn1 ZINC000849538055 1069158601 /nfs/dbraw/zinc/15/86/01/1069158601.db2.gz XNFCZSKOIHLTOA-ZEQRLZLVSA-N 1 1 454.590 4.023 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cn1 ZINC000849547149 1069182669 /nfs/dbraw/zinc/18/26/69/1069182669.db2.gz FRXSPDDXFFUAMV-QZTJIDSGSA-N 1 1 487.391 4.048 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cn1 ZINC000849546879 1069184903 /nfs/dbraw/zinc/18/49/03/1069184903.db2.gz DEESGZAAZABJJB-QZTJIDSGSA-N 1 1 477.462 4.439 20 0 JIADMO CCCCOCCN(C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000849548250 1069186293 /nfs/dbraw/zinc/18/62/93/1069186293.db2.gz LNLTWOKEZDEANM-FCHUYYIVSA-N 1 1 477.447 4.068 20 0 JIADMO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C ZINC000849547557 1069186906 /nfs/dbraw/zinc/18/69/06/1069186906.db2.gz GJHSGHQSHNIGCV-YADHBBJMSA-N 1 1 499.457 4.438 20 0 JIADMO CCCCOCCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)c1ccc(Br)cc1 ZINC000849548567 1069188457 /nfs/dbraw/zinc/18/84/57/1069188457.db2.gz NAJPFBJSLZGHMM-FGZHOGPDSA-N 1 1 477.447 4.068 20 0 JIADMO COc1cccc(-n2c3ccccc3nc2NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849551294 1069190939 /nfs/dbraw/zinc/19/09/39/1069190939.db2.gz AIYUXZBJJAVQHN-DHIUTWEWSA-N 1 1 472.593 4.220 20 0 JIADMO CN(C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000849550536 1069192121 /nfs/dbraw/zinc/19/21/21/1069192121.db2.gz ZGGNWKCVCZTTKH-RTWAWAEBSA-N 1 1 473.499 4.325 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849553047 1069195976 /nfs/dbraw/zinc/19/59/76/1069195976.db2.gz PXKSBMUYXXJWGV-YADHBBJMSA-N 1 1 481.641 4.412 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849553227 1069196046 /nfs/dbraw/zinc/19/60/46/1069196046.db2.gz QJEVOAHAIIAFCQ-FGZHOGPDSA-N 1 1 473.459 4.187 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)cn1 ZINC000849554161 1069197389 /nfs/dbraw/zinc/19/73/89/1069197389.db2.gz UZLSIKRBZZAAPQ-PMACEKPBSA-N 1 1 458.488 4.252 20 0 JIADMO COc1cccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)c1 ZINC000849553824 1069198042 /nfs/dbraw/zinc/19/80/42/1069198042.db2.gz TUJHGNAHGLJINP-SFLYRZDNSA-N 1 1 452.986 4.023 20 0 JIADMO Cc1sc(CCNC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849555465 1069199208 /nfs/dbraw/zinc/19/92/08/1069199208.db2.gz YZHXMIDRGDDABG-YADHBBJMSA-N 1 1 451.640 4.025 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)cn1 ZINC000849556169 1069200508 /nfs/dbraw/zinc/20/05/08/1069200508.db2.gz AORVFKLJTCSSHQ-UXHICEINSA-N 1 1 493.409 4.400 20 0 JIADMO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)cn1 ZINC000849556169 1069200521 /nfs/dbraw/zinc/20/05/21/1069200521.db2.gz AORVFKLJTCSSHQ-UXHICEINSA-N 1 1 493.409 4.400 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)cn1 ZINC000849556169 1069200535 /nfs/dbraw/zinc/20/05/35/1069200535.db2.gz AORVFKLJTCSSHQ-UXHICEINSA-N 1 1 493.409 4.400 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N(CCSc2ccc(F)cc2)c2ccccc2)cn1 ZINC000849557028 1069203232 /nfs/dbraw/zinc/20/32/32/1069203232.db2.gz YDJNVLABNNVXNW-BJKOFHAPSA-N 1 1 452.599 4.420 20 0 JIADMO 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 1069204374 /nfs/dbraw/zinc/20/43/74/1069204374.db2.gz DWPIEIMQJSUDSD-BHIYHBOVSA-N 1 1 475.431 4.119 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc3cccc(Br)c3n2)[C@@H](c2cnn(C)c2)C1 ZINC000849563119 1069212748 /nfs/dbraw/zinc/21/27/48/1069212748.db2.gz PCEMWRHEHPLASM-ZWKOTPCHSA-N 1 1 456.388 4.183 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N(Cc2ccccc2Br)C2CCCC2)cn1 ZINC000849562553 1069212856 /nfs/dbraw/zinc/21/28/56/1069212856.db2.gz FHRRWJAIAKHJEW-NHCUHLMSSA-N 1 1 459.432 4.189 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849565406 1069213920 /nfs/dbraw/zinc/21/39/20/1069213920.db2.gz TWNJILGXYHBJBQ-KAYWLYCHSA-N 1 1 457.622 4.487 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(Br)ccc2N2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849565444 1069214183 /nfs/dbraw/zinc/21/41/83/1069214183.db2.gz VUKNLMFZEQRAQD-VQTJNVASSA-N 1 1 474.447 4.235 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849565407 1069214585 /nfs/dbraw/zinc/21/45/85/1069214585.db2.gz TWNJILGXYHBJBQ-RRPNLBNLSA-N 1 1 457.622 4.487 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001300610814 1069216752 /nfs/dbraw/zinc/21/67/52/1069216752.db2.gz UDTNLHXICBQUAZ-UHFFFAOYSA-N 1 1 491.684 4.453 20 0 JIADMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000849566051 1069217277 /nfs/dbraw/zinc/21/72/77/1069217277.db2.gz YFCRTDFYOSFIHB-ZOCIIQOWSA-N 1 1 488.455 4.219 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)cn1 ZINC000849568449 1069219516 /nfs/dbraw/zinc/21/95/16/1069219516.db2.gz OJRGLYDGBQHOLL-YADHBBJMSA-N 1 1 468.646 4.252 20 0 JIADMO COCCOc1c(Cl)cc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1Cl ZINC000849573277 1069224617 /nfs/dbraw/zinc/22/46/17/1069224617.db2.gz RIDORZPBANFKOU-ZWKOTPCHSA-N 1 1 469.413 4.205 20 0 JIADMO 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 1069229931 /nfs/dbraw/zinc/22/99/31/1069229931.db2.gz OAZBACBQIRSZPD-BDTNDASRSA-N 1 1 477.422 4.403 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCCCCCCc2nc(-c3ccc(Cl)cc3)no2)cn1 ZINC000849579204 1069230515 /nfs/dbraw/zinc/23/05/15/1069230515.db2.gz WCPVGVYKJJMBKR-VXKWHMMOSA-N 1 1 485.032 4.078 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc(CC34CC5CC(CC(C5)C3)C4)cs2)cn1 ZINC000849581380 1069231616 /nfs/dbraw/zinc/23/16/16/1069231616.db2.gz GSHXITFAILTLAR-SVRULCTHSA-N 1 1 453.656 4.310 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)[C@H](c2cnn(C)c2)C1 ZINC000849579942 1069231944 /nfs/dbraw/zinc/23/19/44/1069231944.db2.gz SXMOFCYNBVMHFA-PUHATCMVSA-N 1 1 477.678 4.279 20 0 JIADMO COc1ccc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c(OCc2ccccc2)c1 ZINC000849581074 1069232700 /nfs/dbraw/zinc/23/27/00/1069232700.db2.gz DQAQXEPQDJTXMI-DNQXCXABSA-N 1 1 462.594 4.460 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849582539 1069234062 /nfs/dbraw/zinc/23/40/62/1069234062.db2.gz NUNIOPDAYRSJOA-FCHUYYIVSA-N 1 1 478.559 4.075 20 0 JIADMO CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N(CC)[C@H]3CC[N@@H+](CC)C3)c2)cc1 ZINC001300619214 1069237407 /nfs/dbraw/zinc/23/74/07/1069237407.db2.gz GHGOJLWZPWNFQJ-QHCPKHFHSA-N 1 1 457.640 4.386 20 0 JIADMO COc1ccc(CN(CC2CCC2)C(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c(OC)c1 ZINC000849588082 1069239976 /nfs/dbraw/zinc/23/99/76/1069239976.db2.gz PIOAOEUVIPNJBA-LOSJGSFVSA-N 1 1 468.642 4.080 20 0 JIADMO Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849593087 1069245320 /nfs/dbraw/zinc/24/53/20/1069245320.db2.gz AXYKLDKIPIIHJX-DHIUTWEWSA-N 1 1 456.594 4.496 20 0 JIADMO 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 1069245524 /nfs/dbraw/zinc/24/55/24/1069245524.db2.gz TUXYVJCKRKEAJB-YYWHXJBOSA-N 1 1 450.549 4.342 20 0 JIADMO 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 1069255181 /nfs/dbraw/zinc/25/51/81/1069255181.db2.gz LAZHPSPXZNTZDD-XZOQPEGZSA-N 1 1 467.614 4.123 20 0 JIADMO 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 1069255223 /nfs/dbraw/zinc/25/52/23/1069255223.db2.gz LAZHPSPXZNTZDD-GOTSBHOMSA-N 1 1 467.614 4.123 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)[C@H](c2cnn(C)c2)C1 ZINC000849600755 1069257636 /nfs/dbraw/zinc/25/76/36/1069257636.db2.gz GDBBUUVNIFZGCV-MSOLQXFVSA-N 1 1 460.504 4.077 20 0 JIADMO 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 1069258387 /nfs/dbraw/zinc/25/83/87/1069258387.db2.gz XLJDLZJXQWCIHN-PKTZIBPZSA-N 1 1 469.630 4.206 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(Cc3nc4ccccc4[nH]3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849603799 1069261426 /nfs/dbraw/zinc/26/14/26/1069261426.db2.gz GXDUPQSOGNBZFC-XZOQPEGZSA-N 1 1 456.594 4.340 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc3c(Br)ccnc23)[C@@H](c2cnn(C)c2)C1 ZINC000849604445 1069261489 /nfs/dbraw/zinc/26/14/89/1069261489.db2.gz XGINUJQZISGKAN-SJLPKXTDSA-N 1 1 456.388 4.183 20 0 JIADMO COc1cccc(Sc2ccc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)nc2)c1 ZINC000849608015 1069264161 /nfs/dbraw/zinc/26/41/61/1069264161.db2.gz MDCYTBHWNFTISC-GOTSBHOMSA-N 1 1 465.623 4.428 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Br)c3ncccc23)[C@H](c2cnn(C)c2)C1 ZINC000849609536 1069267088 /nfs/dbraw/zinc/26/70/88/1069267088.db2.gz CJKFHJMHMXZGGB-WMZOPIPTSA-N 1 1 456.388 4.183 20 0 JIADMO Cc1ccccc1-n1ncc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C(F)F ZINC000849610071 1069267611 /nfs/dbraw/zinc/26/76/11/1069267611.db2.gz XWWAGXLTWQZKDI-MOPGFXCFSA-N 1 1 456.541 4.304 20 0 JIADMO Cc1ccccc1-n1ncc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C(F)F ZINC000849610172 1069267626 /nfs/dbraw/zinc/26/76/26/1069267626.db2.gz XWWAGXLTWQZKDI-OALUTQOASA-N 1 1 456.541 4.304 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc(-c3sccc3Br)cs2)cn1 ZINC000849611274 1069268528 /nfs/dbraw/zinc/26/85/28/1069268528.db2.gz VXXLOHLBTHVZOK-CHWSQXEVSA-N 1 1 466.430 4.042 20 0 JIADMO COc1ccccc1OC[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300629072 1069270024 /nfs/dbraw/zinc/27/00/24/1069270024.db2.gz YMJMQUUPRXBEPU-JOCHJYFZSA-N 1 1 492.668 4.298 20 0 JIADMO COc1ccccc1OC[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300629074 1069270371 /nfs/dbraw/zinc/27/03/71/1069270371.db2.gz YMJMQUUPRXBEPU-QFIPXVFZSA-N 1 1 492.668 4.298 20 0 JIADMO CCc1cc(Br)cc2sc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)nc21 ZINC000849611961 1069272652 /nfs/dbraw/zinc/27/26/52/1069272652.db2.gz CTKAVQFJBVFKHX-CVEARBPZSA-N 1 1 462.417 4.029 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)CCc2nccs2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001492577434 1069280565 /nfs/dbraw/zinc/28/05/65/1069280565.db2.gz QVBSZSZZGWHMBV-OAQYLSRUSA-N 1 1 452.672 4.433 20 0 JIADMO Cc1[nH+]ccn1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccccc1C ZINC001492591542 1069304528 /nfs/dbraw/zinc/30/45/28/1069304528.db2.gz GSGJITNZOJUMEW-UHFFFAOYSA-N 1 1 454.376 4.186 20 0 JIADMO O=C1Nc2ccccc2[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]12 ZINC001164402247 718858371 /nfs/dbraw/zinc/85/83/71/718858371.db2.gz JSVDBSFOJNRARG-RBUKOAKNSA-N 1 1 459.619 4.338 20 0 JIADMO O=C(c1cccnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CCN(Cc2ccccc2)CC1 ZINC001164628973 719086731 /nfs/dbraw/zinc/08/67/31/719086731.db2.gz PHHHQGBGBFBLEC-LMSSTIIKSA-N 1 1 495.671 4.140 20 0 JIADMO COc1ccc(Cn2cc3[nH]c(N4CCC[C@H]5C[N@@H+](Cc6ccccc6)C[C@H]54)ccc-3c2=O)cc1 ZINC001164629031 719095000 /nfs/dbraw/zinc/09/50/00/719095000.db2.gz QBAMQMROZKCRQZ-WNCULLNHSA-N 1 1 468.601 4.347 20 0 JIADMO c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)cc1 ZINC001164632346 719098364 /nfs/dbraw/zinc/09/83/64/719098364.db2.gz ZHGWFZFBVDWIPK-GMAHTHKFSA-N 1 1 489.689 4.113 20 0 JIADMO CCS(=O)(=O)c1cc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164628376 719114025 /nfs/dbraw/zinc/11/40/25/719114025.db2.gz MNLPPHYYYHOMDK-PKOBYXMFSA-N 1 1 469.985 4.174 20 0 JIADMO CCS(=O)(=O)c1cc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164628376 719114034 /nfs/dbraw/zinc/11/40/34/719114034.db2.gz MNLPPHYYYHOMDK-PKOBYXMFSA-N 1 1 469.985 4.174 20 0 JIADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3O2)n1 ZINC001164649179 719300514 /nfs/dbraw/zinc/30/05/14/719300514.db2.gz HDKBXTIFGLBRNE-YTQUADARSA-N 1 1 480.638 4.214 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)nc1 ZINC001164655771 719322334 /nfs/dbraw/zinc/32/23/34/719322334.db2.gz XWSNYJWAUQMELY-SQHAQQRYSA-N 1 1 479.600 4.199 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CCCO[C@@H]4[C@@H](NC(=O)CC4CC4)C3)c2c1C ZINC001164652169 719326157 /nfs/dbraw/zinc/32/61/57/719326157.db2.gz BUEOQWJDPARCJE-WATLYSKOSA-N 1 1 497.709 4.194 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)CC3CC3)C2)n1 ZINC001164656534 719326167 /nfs/dbraw/zinc/32/61/67/719326167.db2.gz XSGHEJVAUUYUPT-MZLICYQSSA-N 1 1 485.698 4.050 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3nnc(COc4cccnc4)c3C2)n1 ZINC001164655981 719328029 /nfs/dbraw/zinc/32/80/29/719328029.db2.gz SFTJZXYXIDOMNN-UHFFFAOYSA-N 1 1 492.653 4.126 20 0 JIADMO COC(=O)c1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c2ccccc2c1OC ZINC001164679225 719527417 /nfs/dbraw/zinc/52/74/17/719527417.db2.gz VYTZWUROKQJSJE-UHFFFAOYSA-N 1 1 479.552 4.041 20 0 JIADMO COC(=O)c1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c2ccccc2c1OC ZINC001164679225 719527430 /nfs/dbraw/zinc/52/74/30/719527430.db2.gz VYTZWUROKQJSJE-UHFFFAOYSA-N 1 1 479.552 4.041 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@H]32)n1 ZINC001164679049 719545205 /nfs/dbraw/zinc/54/52/05/719545205.db2.gz QTCWRTDQQCMPCO-FCEUIQTBSA-N 1 1 491.661 4.026 20 0 JIADMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(C)nc(-c3ccc(-c4ccccc4)cc3)n1)CC2 ZINC001164689398 719748458 /nfs/dbraw/zinc/74/84/58/719748458.db2.gz FIHQCMHMFFACRM-UHFFFAOYSA-N 1 1 455.606 4.300 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@H]3CC(=O)N4Cc3cccnc3)c2c1C ZINC001164692974 719771962 /nfs/dbraw/zinc/77/19/62/719771962.db2.gz WTENBZUEXRFREU-NHCUHLMSSA-N 1 1 476.650 4.069 20 0 JIADMO CC(C)N(C)C(=O)c1noc2c1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164696001 719788235 /nfs/dbraw/zinc/78/82/35/719788235.db2.gz QWAXHSDZIJWXQZ-UHFFFAOYSA-N 1 1 494.665 4.197 20 0 JIADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692292 719804220 /nfs/dbraw/zinc/80/42/20/719804220.db2.gz MSMLXXZENJHJMJ-UHFFFAOYSA-N 1 1 485.988 4.252 20 0 JIADMO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164692292 719804222 /nfs/dbraw/zinc/80/42/22/719804222.db2.gz MSMLXXZENJHJMJ-UHFFFAOYSA-N 1 1 485.988 4.252 20 0 JIADMO 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COc1cccc(Oc2cncc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)c1 ZINC001164696220 719896066 /nfs/dbraw/zinc/89/60/66/719896066.db2.gz CKWRYIKXVZFUCX-UHFFFAOYSA-N 1 1 452.580 4.210 20 0 JIADMO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707734 719908074 /nfs/dbraw/zinc/90/80/74/719908074.db2.gz WVVFZQODMFCYDD-UHFFFAOYSA-N 1 1 486.972 4.305 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OCc4ccccc4)c(OC)cc31)C2 ZINC001164808558 720086043 /nfs/dbraw/zinc/08/60/43/720086043.db2.gz IDRGYAZUNLDTSV-BTYSJIOQSA-N 1 1 488.632 4.402 20 0 JIADMO COCc1cc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)nc(-c2ccccc2)n1 ZINC001164712076 720098252 /nfs/dbraw/zinc/09/82/52/720098252.db2.gz VCCMZNLYFUUBJT-RUZDIDTESA-N 1 1 473.621 4.193 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(F)c(Cl)n1)CC2 ZINC001164710005 720100753 /nfs/dbraw/zinc/10/07/53/720100753.db2.gz FDXQTASCZHZPRK-QGZVFWFLSA-N 1 1 454.924 4.322 20 0 JIADMO 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c1ccc(COc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164751805 720888801 /nfs/dbraw/zinc/88/88/01/720888801.db2.gz DTKMUWXCYXQVBZ-GGXMVOPNSA-N 1 1 485.632 4.206 20 0 JIADMO COc1cccc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756266 720888998 /nfs/dbraw/zinc/88/89/98/720888998.db2.gz OYDHPFIWPDKJKJ-ZBLYBZFDSA-N 1 1 494.039 4.442 20 0 JIADMO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755665 720889686 /nfs/dbraw/zinc/88/96/86/720889686.db2.gz MKRXWGDRDLYJOV-OYDLWJJNSA-N 1 1 460.981 4.013 20 0 JIADMO O=C(Nc1ccccc1)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164751693 720891610 /nfs/dbraw/zinc/89/16/10/720891610.db2.gz DBTSSKZLTRCVEB-PDDLMNHVSA-N 1 1 497.643 4.484 20 0 JIADMO CSc1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757196 720892366 /nfs/dbraw/zinc/89/23/66/720892366.db2.gz UHCRKCAIVAWIFP-CVDCTZTESA-N 1 1 460.047 4.002 20 0 JIADMO Clc1cc2cc[nH]c2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758207 720895846 /nfs/dbraw/zinc/89/58/46/720895846.db2.gz XTBDJBQYJAFLNV-BWKNWUBXSA-N 1 1 452.002 4.318 20 0 JIADMO c1ccc2c(c1)CCc1cnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc1-2 ZINC001164754407 720902810 /nfs/dbraw/zinc/90/28/10/720902810.db2.gz ITZZEKQSYKIDNI-YZNIXAGQSA-N 1 1 481.644 4.392 20 0 JIADMO Nc1cc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cnc1Cl ZINC001164750666 720907357 /nfs/dbraw/zinc/90/73/57/720907357.db2.gz JYSAHGFEIQCJDH-NFBKMPQASA-N 1 1 477.987 4.012 20 0 JIADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(-c4ccncc4)cn2)C3)c1 ZINC001164750043 720907978 /nfs/dbraw/zinc/90/79/78/720907978.db2.gz IUWFYEWTFAFXHT-XTEPFMGCSA-N 1 1 455.606 4.294 20 0 JIADMO COc1ccccc1-c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164747201 720912139 /nfs/dbraw/zinc/91/21/39/720912139.db2.gz CBGQRFUOMYBEQA-PWUYWRBVSA-N 1 1 485.632 4.302 20 0 JIADMO Cc1cc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)nn1 ZINC001164749050 720912682 /nfs/dbraw/zinc/91/26/82/720912682.db2.gz HMYRCJGVKGELGL-NFBKMPQASA-N 1 1 477.987 4.133 20 0 JIADMO COc1ccccc1-c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164747199 720912801 /nfs/dbraw/zinc/91/28/01/720912801.db2.gz CBGQRFUOMYBEQA-OUTSHDOLSA-N 1 1 485.632 4.302 20 0 JIADMO COc1ccc(-c2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncn2)cc1 ZINC001164753168 720916459 /nfs/dbraw/zinc/91/64/59/720916459.db2.gz QQOMCNWDLYWOHE-SVEHJYQDSA-N 1 1 485.632 4.302 20 0 JIADMO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(-c4nc(C5CC5)no4)ccn2)C3)c1 ZINC001164754281 720929786 /nfs/dbraw/zinc/92/97/86/720929786.db2.gz VWGKLOXLNBCXAF-CUBQBAPOSA-N 1 1 486.620 4.159 20 0 JIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)[C@@H]2C ZINC001164861874 720944430 /nfs/dbraw/zinc/94/44/30/720944430.db2.gz URTBBZNZXJKIDE-GOSISDBHSA-N 1 1 466.033 4.264 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](OCc3cccnc3)[C@@H]3COC[C@@H]32)n1 ZINC001164758030 721010256 /nfs/dbraw/zinc/01/02/56/721010256.db2.gz HQBGHIMIKSNMED-PUHATCMVSA-N 1 1 487.629 4.235 20 0 JIADMO CCn1nnc2c1CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@H]2COCc1ccccc1 ZINC001164770269 721048579 /nfs/dbraw/zinc/04/85/79/721048579.db2.gz KICPYULVCIEJER-QFIPXVFZSA-N 1 1 467.017 4.263 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@H]3CC(=O)N4Cc3cccc(C)n3)c2c1C ZINC001164773547 721054911 /nfs/dbraw/zinc/05/49/11/721054911.db2.gz SERQYEGKGWGALU-FCHUYYIVSA-N 1 1 490.677 4.377 20 0 JIADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866544 721068296 /nfs/dbraw/zinc/06/82/96/721068296.db2.gz FGFWTRYPPUEYDD-RTWAWAEBSA-N 1 1 471.939 4.217 20 0 JIADMO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868917 721073753 /nfs/dbraw/zinc/07/37/53/721073753.db2.gz RDDATCBIQMESPO-IAGOWNOFSA-N 1 1 480.346 4.356 20 0 JIADMO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864250 721082403 /nfs/dbraw/zinc/08/24/03/721082403.db2.gz FEVZZIAPXOUSFL-JWQCQUIFSA-N 1 1 464.573 4.080 20 0 JIADMO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866379 721098102 /nfs/dbraw/zinc/09/81/02/721098102.db2.gz SXOOXWHLEBGQRX-HOTGVXAUSA-N 1 1 480.346 4.356 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5F)nc5ccc(F)cc54)C[C@H]3C2)cn1 ZINC001164762310 721098721 /nfs/dbraw/zinc/09/87/21/721098721.db2.gz DXNFLYHTWCWXBR-RTBURBONSA-N 1 1 460.532 4.267 20 0 JIADMO c1ccc(Cc2nnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c3ccccc23)cc1 ZINC001164871614 721137269 /nfs/dbraw/zinc/13/72/69/721137269.db2.gz FYHVGZYPQOOGBK-BJKOFHAPSA-N 1 1 451.574 4.095 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nnc(-c5ccc(F)c(F)c5)c5ccccc54)C[C@@H]3C2)cn1 ZINC001164774364 721198279 /nfs/dbraw/zinc/19/82/79/721198279.db2.gz YPYSVSUEOXBAJD-PMACEKPBSA-N 1 1 460.532 4.267 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cccc(-c5ccc(Cl)nn5)c4)C[C@@H]3C2)cn1 ZINC001164761224 721217068 /nfs/dbraw/zinc/21/70/68/721217068.db2.gz AHWUFQBCZQTQSB-MOPGFXCFSA-N 1 1 458.944 4.034 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cccc(-c5ccc(Cl)nn5)c4)C[C@H]3C2)cn1 ZINC001164761233 721217231 /nfs/dbraw/zinc/21/72/31/721217231.db2.gz AHWUFQBCZQTQSB-RTBURBONSA-N 1 1 458.944 4.034 20 0 JIADMO Cc1nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164760699 721233180 /nfs/dbraw/zinc/23/31/80/721233180.db2.gz GBVBSEGPVRUQCU-FGZHOGPDSA-N 1 1 451.018 4.029 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@@H]43)c2c1C ZINC001164875190 721314227 /nfs/dbraw/zinc/31/42/27/721314227.db2.gz CMSHDKVZVFFSCP-QHAWAJNXSA-N 1 1 479.650 4.362 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC3)C(=O)NC[C@@H]4c3ccccc3)c2c1C ZINC001164875390 721318412 /nfs/dbraw/zinc/31/84/12/721318412.db2.gz FEVHHEDMQQNBMR-OAQYLSRUSA-N 1 1 475.662 4.404 20 0 JIADMO C[NH+]1CCC(Oc2ccnc(N3CCC4(CCC(CC(=O)N5CC=CC5)CC4)CC3)c2)CC1 ZINC001164777030 721328701 /nfs/dbraw/zinc/32/87/01/721328701.db2.gz KMIZHOYNIIYEAV-UHFFFAOYSA-N 1 1 452.643 4.120 20 0 JIADMO COCc1cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc(-c2ccccc2)n1 ZINC001164775990 721335734 /nfs/dbraw/zinc/33/57/34/721335734.db2.gz BDDHBUSYDGBLGM-MHZLTWQESA-N 1 1 477.609 4.014 20 0 JIADMO COCc1cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc(-c2ccccc2)n1 ZINC001164775990 721335737 /nfs/dbraw/zinc/33/57/37/721335737.db2.gz BDDHBUSYDGBLGM-MHZLTWQESA-N 1 1 477.609 4.014 20 0 JIADMO COc1cc(C(F)(F)N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)cc(Cl)n1 ZINC001164777585 721336600 /nfs/dbraw/zinc/33/66/00/721336600.db2.gz OIGYCLGWKZGOMP-NRFANRHFSA-N 1 1 470.948 4.012 20 0 JIADMO COc1cc(C(F)(F)N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)cc(Cl)n1 ZINC001164777585 721336603 /nfs/dbraw/zinc/33/66/03/721336603.db2.gz OIGYCLGWKZGOMP-NRFANRHFSA-N 1 1 470.948 4.012 20 0 JIADMO CCOC(=O)c1cc2c(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)[nH]c(C)c(C)c-2n1 ZINC001164782942 721355791 /nfs/dbraw/zinc/35/57/91/721355791.db2.gz NXMPXVSZCGFDSZ-MHZLTWQESA-N 1 1 495.624 4.080 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccc(F)cc4)ncn3)C2)C1 ZINC001164780785 721367470 /nfs/dbraw/zinc/36/74/70/721367470.db2.gz HIZBOCZTDJWETJ-VWLOTQADSA-N 1 1 451.546 4.007 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-c4ccc(F)cc4)ncn3)C2)C1 ZINC001164780785 721367474 /nfs/dbraw/zinc/36/74/74/721367474.db2.gz HIZBOCZTDJWETJ-VWLOTQADSA-N 1 1 451.546 4.007 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C)c(-c4ccccc4F)n3)C2)C1 ZINC001164780689 721374419 /nfs/dbraw/zinc/37/44/19/721374419.db2.gz ICEWNXASMSUEBE-SANMLTNESA-N 1 1 465.573 4.315 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C)c(-c4ccccc4F)n3)C2)C1 ZINC001164780689 721374423 /nfs/dbraw/zinc/37/44/23/721374423.db2.gz ICEWNXASMSUEBE-SANMLTNESA-N 1 1 465.573 4.315 20 0 JIADMO COc1cc2ccnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2cc1F ZINC001164779891 721375148 /nfs/dbraw/zinc/37/51/48/721375148.db2.gz DFMWMCWIGCIUCF-RUZDIDTESA-N 1 1 454.546 4.106 20 0 JIADMO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)n2)cc1 ZINC001164788418 721401801 /nfs/dbraw/zinc/40/18/01/721401801.db2.gz RTZDLVCYKKGSJH-HDICACEKSA-N 1 1 461.566 4.469 20 0 JIADMO COc1ccc(-c2nc3ccc(F)cc3c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)n2)cc1 ZINC001164788418 721401802 /nfs/dbraw/zinc/40/18/02/721401802.db2.gz RTZDLVCYKKGSJH-HDICACEKSA-N 1 1 461.566 4.469 20 0 JIADMO Cc1ccc(-c2csc3ncnc(N4CC[C@@]5(C4)CCC[C@@H](CN4CC[NH+](C)CC4)O5)c23)cc1 ZINC001164883506 721404122 /nfs/dbraw/zinc/40/41/22/721404122.db2.gz AHIJWSYBGQEYSY-WXVAWEFUSA-N 1 1 477.678 4.432 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164889815 721421773 /nfs/dbraw/zinc/42/17/73/721421773.db2.gz RNJPMEYIGIHADI-GBXCKJPGSA-N 1 1 492.014 4.107 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc5ccccc5nc4Cl)C3)O2)CC1 ZINC001164887673 721423551 /nfs/dbraw/zinc/42/35/51/721423551.db2.gz LZPJIUGSNVSALN-XXBNENTESA-N 1 1 464.988 4.199 20 0 JIADMO CSCc1nc2sc3c(c2c(N2C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C2)n1)CCCC3 ZINC001164783496 721427295 /nfs/dbraw/zinc/42/72/95/721427295.db2.gz ISHQNCKUIZIRPW-GJZGRUSLSA-N 1 1 457.694 4.458 20 0 JIADMO CSCc1nc2sc3c(c2c(N2C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C2)n1)CCCC3 ZINC001164783501 721427353 /nfs/dbraw/zinc/42/73/53/721427353.db2.gz ISHQNCKUIZIRPW-HUUCEWRRSA-N 1 1 457.694 4.458 20 0 JIADMO Cc1sc2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1-c1ccccc1 ZINC001164893833 721434827 /nfs/dbraw/zinc/43/48/27/721434827.db2.gz KVLNIVIJBSRLFS-AMGIVPHBSA-N 1 1 477.678 4.432 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C3)O2)CC1 ZINC001164898798 721441873 /nfs/dbraw/zinc/44/18/73/721441873.db2.gz XHFAUPOCWRZORY-REWPJTCUSA-N 1 1 464.988 4.199 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4ccc(Cl)cc4)C3)O2)CC1 ZINC001164885364 721448375 /nfs/dbraw/zinc/44/83/75/721448375.db2.gz DJMGDMTZWOJYCK-YKSBVNFPSA-N 1 1 492.451 4.341 20 0 JIADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164889677 721450085 /nfs/dbraw/zinc/45/00/85/721450085.db2.gz PEBBKQORWPRPAL-HFZDXXHNSA-N 1 1 486.060 4.250 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(C)cccc31)CC2 ZINC001164789475 721455785 /nfs/dbraw/zinc/45/57/85/721455785.db2.gz WPMAGLPNDSULHT-FQEVSTJZSA-N 1 1 459.034 4.326 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(-c3ccc(F)cc3)n1)CC2 ZINC001164785498 721458866 /nfs/dbraw/zinc/45/88/66/721458866.db2.gz LPHPRHUBYYRNRI-QHCPKHFHSA-N 1 1 454.590 4.017 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3cccc(C)c3)nn1)CC2 ZINC001164787982 721467341 /nfs/dbraw/zinc/46/73/41/721467341.db2.gz HIUUNPSEIDEJMT-XMMPIXPASA-N 1 1 450.627 4.186 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(F)F)nc3ccccc31)CC2 ZINC001164788765 721468673 /nfs/dbraw/zinc/46/86/73/721468673.db2.gz JWPNHLSNMYHTOJ-IBGZPJMESA-N 1 1 460.569 4.301 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3nc(Cl)cnc3cc1F)CC2 ZINC001164788038 721468675 /nfs/dbraw/zinc/46/86/75/721468675.db2.gz HUEROTNNDPCIPI-GOSISDBHSA-N 1 1 462.997 4.156 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164790612 721471175 /nfs/dbraw/zinc/47/11/75/721471175.db2.gz SFOOWRFRNALBPO-OAQYLSRUSA-N 1 1 494.076 4.424 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3ccc(SC)cc31)CC2 ZINC001164789525 721471326 /nfs/dbraw/zinc/47/13/26/721471326.db2.gz NOFXODLBUXWQCQ-FQEVSTJZSA-N 1 1 456.656 4.086 20 0 JIADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4nc5ccsc5c(Cl)n4)CC[N@H+]3C2)c1 ZINC001164900692 721521183 /nfs/dbraw/zinc/52/11/83/721521183.db2.gz TXKYCZCUTOTJNT-ZFWWWQNUSA-N 1 1 454.905 4.371 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)cnc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164808361 721549510 /nfs/dbraw/zinc/54/95/10/721549510.db2.gz RQEGWELEUAZEPL-KCZVDYSFSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)cnc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164808361 721549512 /nfs/dbraw/zinc/54/95/12/721549512.db2.gz RQEGWELEUAZEPL-KCZVDYSFSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3cnc(Cl)nc3c2)[C@H]2CCCO[C@@H]12 ZINC001164798660 721563738 /nfs/dbraw/zinc/56/37/38/721563738.db2.gz BVVHPUZYGLRLOK-PWRODBHTSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3cnc(Cl)nc3c2)[C@H]2CCCO[C@@H]12 ZINC001164798660 721563739 /nfs/dbraw/zinc/56/37/39/721563739.db2.gz BVVHPUZYGLRLOK-PWRODBHTSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)[C@H]2CCCO[C@H]12 ZINC001164809635 721578245 /nfs/dbraw/zinc/57/82/45/721578245.db2.gz UHKCXLUATPNPPS-ARNLJNQMSA-N 1 1 477.996 4.251 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)[C@H]2CCCO[C@H]12 ZINC001164809635 721578249 /nfs/dbraw/zinc/57/82/49/721578249.db2.gz UHKCXLUATPNPPS-ARNLJNQMSA-N 1 1 477.996 4.251 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164809641 721578518 /nfs/dbraw/zinc/57/85/18/721578518.db2.gz UHKCXLUATPNPPS-OYRHQHFDSA-N 1 1 477.996 4.251 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164809641 721578521 /nfs/dbraw/zinc/57/85/21/721578521.db2.gz UHKCXLUATPNPPS-OYRHQHFDSA-N 1 1 477.996 4.251 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c(-c4ccccc4)nsc32)[C@@H]2CCCO[C@H]12 ZINC001164805147 721579840 /nfs/dbraw/zinc/57/98/40/721579840.db2.gz KTLDCARAZWLDBM-VIZSFHNOSA-N 1 1 458.591 4.017 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c(-c4ccccc4)nsc32)[C@@H]2CCCO[C@H]12 ZINC001164805147 721579844 /nfs/dbraw/zinc/57/98/44/721579844.db2.gz KTLDCARAZWLDBM-VIZSFHNOSA-N 1 1 458.591 4.017 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3ccco3)nnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164801864 721580385 /nfs/dbraw/zinc/58/03/85/721580385.db2.gz FZKYJDTUUGWPQM-SBHAEUEKSA-N 1 1 475.927 4.198 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3ccco3)nnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164801864 721580386 /nfs/dbraw/zinc/58/03/86/721580386.db2.gz FZKYJDTUUGWPQM-SBHAEUEKSA-N 1 1 475.927 4.198 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccc(Cl)nn3)ccc2F)[C@@H]2CCCO[C@H]12 ZINC001164799316 721583898 /nfs/dbraw/zinc/58/38/98/721583898.db2.gz AREHFVRKASNTJU-BKULYWANSA-N 1 1 453.949 4.199 20 0 JIADMO FC1(F)CCN(c2nc(Cl)nc3[nH]cc(Cl)c32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905980 721584061 /nfs/dbraw/zinc/58/40/61/721584061.db2.gz YJFMEJYSZZDFCI-IBGZPJMESA-N 1 1 453.324 4.397 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164800723 721584191 /nfs/dbraw/zinc/58/41/91/721584191.db2.gz CNRUNIKTBCTFKJ-MFYODDQASA-N 1 1 483.975 4.188 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164800723 721584194 /nfs/dbraw/zinc/58/41/94/721584194.db2.gz CNRUNIKTBCTFKJ-MFYODDQASA-N 1 1 483.975 4.188 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccn3)nc3sccc32)[C@@H]2CCCO[C@H]12 ZINC001164808974 721587239 /nfs/dbraw/zinc/58/72/39/721587239.db2.gz RZVLROHTMSNYSG-VSKRKVRLSA-N 1 1 458.591 4.017 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccn3)nc3sccc32)[C@@H]2CCCO[C@H]12 ZINC001164808974 721587240 /nfs/dbraw/zinc/58/72/40/721587240.db2.gz RZVLROHTMSNYSG-VSKRKVRLSA-N 1 1 458.591 4.017 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2)[C@@H]2CCCO[C@@H]12 ZINC001164811900 721589736 /nfs/dbraw/zinc/58/97/36/721589736.db2.gz ZADYUSOSUHVIEZ-CEMLEFRQSA-N 1 1 451.958 4.186 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2)[C@@H]2CCCO[C@@H]12 ZINC001164811900 721589738 /nfs/dbraw/zinc/58/97/38/721589738.db2.gz ZADYUSOSUHVIEZ-CEMLEFRQSA-N 1 1 451.958 4.186 20 0 JIADMO C[N@@H+](Cc1ccc(N2CCC[C@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)nc1)C1CC1 ZINC001164803729 721605681 /nfs/dbraw/zinc/60/56/81/721605681.db2.gz VSZYANSXLQSJEA-DEOSSOPVSA-N 1 1 453.974 4.083 20 0 JIADMO FC(F)(c1nc(Cl)ncc1Cl)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905658 721694629 /nfs/dbraw/zinc/69/46/29/721694629.db2.gz KJKPONPJTYUZPK-KRWDZBQOSA-N 1 1 464.294 4.461 20 0 JIADMO COC(=O)c1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cnc1Cl ZINC001164904064 721697012 /nfs/dbraw/zinc/69/70/12/721697012.db2.gz CVCXLUQRQIEJFV-FQEVSTJZSA-N 1 1 486.897 4.199 20 0 JIADMO COc1cc2c(cc1Cl)ncnc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907828 721705738 /nfs/dbraw/zinc/70/57/38/721705738.db2.gz UMEINIVDFRYFNZ-JOCHJYFZSA-N 1 1 459.928 4.425 20 0 JIADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2)C1 ZINC001164906549 721723065 /nfs/dbraw/zinc/72/30/65/721723065.db2.gz MTVLROQYQXSVGW-CJFMBICVSA-N 1 1 469.580 4.086 20 0 JIADMO COc1cccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)c1 ZINC001164911216 721724363 /nfs/dbraw/zinc/72/43/63/721724363.db2.gz IQSPMNAVGHOWHS-XMMPIXPASA-N 1 1 451.521 4.285 20 0 JIADMO FC1(F)CCN(c2ccc(-c3ccc4c(c3)OCCO4)nn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913944 721726189 /nfs/dbraw/zinc/72/61/89/721726189.db2.gz ZONFFIMUHXRNPJ-VWLOTQADSA-N 1 1 479.531 4.048 20 0 JIADMO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164912703 721733187 /nfs/dbraw/zinc/73/31/87/721733187.db2.gz POGYQRUBJOGJRF-VWLOTQADSA-N 1 1 478.547 4.170 20 0 JIADMO C[N@@H+](Cc1ccc(N2C[C@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)nc1)C1CC1 ZINC001164912116 721742284 /nfs/dbraw/zinc/74/22/84/721742284.db2.gz LUDRHGTTWNFEFE-LEAFIULHSA-N 1 1 453.590 4.098 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccnc(NC(=O)OC(C)(C)C)n1)C2 ZINC001164908387 721750840 /nfs/dbraw/zinc/75/08/40/721750840.db2.gz HMCKAHPMPITZTP-UHFFFAOYSA-N 1 1 450.543 4.006 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccnc(NC(=O)OC(C)(C)C)n1)C2 ZINC001164908387 721750845 /nfs/dbraw/zinc/75/08/45/721750845.db2.gz HMCKAHPMPITZTP-UHFFFAOYSA-N 1 1 450.543 4.006 20 0 JIADMO O=C(c1ccco1)N1C[C@@H]2CCCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)[C@@H]2C1 ZINC001165014446 721771627 /nfs/dbraw/zinc/77/16/27/721771627.db2.gz CSGDBZROFJGFME-AZUAARDMSA-N 1 1 491.661 4.500 20 0 JIADMO O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001165015774 721772282 /nfs/dbraw/zinc/77/22/82/721772282.db2.gz MUHFVRBLHOKPKU-ICSRJNTNSA-N 1 1 491.661 4.500 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3CN(Cc3ccccc3)CC4)C[C@H]21 ZINC001165022159 721804025 /nfs/dbraw/zinc/80/40/25/721804025.db2.gz IAZINRDLQCRNRL-RGODFAACSA-N 1 1 468.649 4.167 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC001164917762 721807076 /nfs/dbraw/zinc/80/70/76/721807076.db2.gz YBEGXFJEBWQXTA-NLFFAJNJSA-N 1 1 467.639 4.362 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3CCN(Cc3ccccc3)C4)C[C@@H]21 ZINC001165018946 721809566 /nfs/dbraw/zinc/80/95/66/721809566.db2.gz BBYBSCRMWIDJSA-PAUTXSKSSA-N 1 1 468.649 4.167 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3C(=O)NC(C)(C)C)C[C@H]21 ZINC001165024719 721815972 /nfs/dbraw/zinc/81/59/72/721815972.db2.gz KKBBENLJPFAICJ-IOMROCGXSA-N 1 1 456.034 4.395 20 0 JIADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025340 721823619 /nfs/dbraw/zinc/82/36/19/721823619.db2.gz MSRKGRWTJPHWCO-ZAAXVRCTSA-N 1 1 464.944 4.198 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc5c(c4)OCCO5)nn3)C[C@@H]21 ZINC001165030506 721824245 /nfs/dbraw/zinc/82/42/45/721824245.db2.gz ZLRHELIIXHGITJ-ODGPQVTHSA-N 1 1 457.578 4.047 20 0 JIADMO COC(=O)c1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c2ccccc2c1OC ZINC001165019163 721827436 /nfs/dbraw/zinc/82/74/36/721827436.db2.gz BFRWNVYVXHZXCB-OFAXGOBFSA-N 1 1 460.578 4.162 20 0 JIADMO COC(=O)c1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c2ccccc2c1OC ZINC001165019160 721827543 /nfs/dbraw/zinc/82/75/43/721827543.db2.gz BFRWNVYVXHZXCB-CDNPAEQRSA-N 1 1 460.578 4.162 20 0 JIADMO Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001165025706 721828746 /nfs/dbraw/zinc/82/87/46/721828746.db2.gz NNGFPICYFYTEHP-XWGVYQGASA-N 1 1 456.594 4.169 20 0 JIADMO COc1ccc(CN(C)c2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)n2)cc1 ZINC001165027055 721829198 /nfs/dbraw/zinc/82/91/98/721829198.db2.gz RKIWSAAQBBIZJI-DFCKQENNSA-N 1 1 472.637 4.254 20 0 JIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc(Cl)nc(Cl)n2)CC1 ZINC001165021541 721837974 /nfs/dbraw/zinc/83/79/74/721837974.db2.gz NZZJQJLVXLMGIN-UHFFFAOYSA-N 1 1 461.340 4.446 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3COC[C@@]3(COCc3ccccn3)C2)n1 ZINC001164926792 721840132 /nfs/dbraw/zinc/84/01/32/721840132.db2.gz RZWCPCDAVQHVGR-RXFWQSSRSA-N 1 1 481.666 4.215 20 0 JIADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)n2)cc1 ZINC001164927413 721868319 /nfs/dbraw/zinc/86/83/19/721868319.db2.gz VEQUWFALXLWKLH-DHIUTWEWSA-N 1 1 452.002 4.173 20 0 JIADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)n2)cc1 ZINC001164927413 721868321 /nfs/dbraw/zinc/86/83/21/721868321.db2.gz VEQUWFALXLWKLH-DHIUTWEWSA-N 1 1 452.002 4.173 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NC3CCC3)C2)n1 ZINC001164929935 721897081 /nfs/dbraw/zinc/89/70/81/721897081.db2.gz ARKKSKJCKQBABS-NRSPTQNISA-N 1 1 485.698 4.050 20 0 JIADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[C@]4(C3)COCc3cnc(-c5ccccc5)nc34)C2)cc1 ZINC001164929964 721898645 /nfs/dbraw/zinc/89/86/45/721898645.db2.gz YAKIXGRXUDXRIE-PMERELPUSA-N 1 1 490.611 4.170 20 0 JIADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[C@]4(C3)COCc3cnc(-c5ccccc5)nc34)C2)cc1 ZINC001164929964 721898646 /nfs/dbraw/zinc/89/86/46/721898646.db2.gz YAKIXGRXUDXRIE-PMERELPUSA-N 1 1 490.611 4.170 20 0 JIADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164941048 721924773 /nfs/dbraw/zinc/92/47/73/721924773.db2.gz ZRFFWDKICIKOMC-UHFFFAOYSA-N 1 1 458.002 4.400 20 0 JIADMO COC(=O)C[C@H](c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1)C1CC1 ZINC001164940708 721930187 /nfs/dbraw/zinc/93/01/87/721930187.db2.gz XYUFTECASNEHAL-VWLOTQADSA-N 1 1 463.622 4.318 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C(=O)N5CCC(C)CC5)cn4)CC3)C2)cc1 ZINC001164939678 721930740 /nfs/dbraw/zinc/93/07/40/721930740.db2.gz ODIFMSIPRKDRIA-UHFFFAOYSA-N 1 1 462.638 4.134 20 0 JIADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(-c3ccsc3)nc3ccccc31)CC2 ZINC001164948380 721978704 /nfs/dbraw/zinc/97/87/04/721978704.db2.gz LKFAEKCWSLLDIO-UHFFFAOYSA-N 1 1 469.614 4.329 20 0 JIADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(-c3ccsc3)nc3ccccc31)CC2 ZINC001164948380 721978708 /nfs/dbraw/zinc/97/87/08/721978708.db2.gz LKFAEKCWSLLDIO-UHFFFAOYSA-N 1 1 469.614 4.329 20 0 JIADMO c1nc(COc2cccnc2)c2n1CCCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164952743 721997687 /nfs/dbraw/zinc/99/76/87/721997687.db2.gz UNKUZQTXNBBEQL-UHFFFAOYSA-N 1 1 466.589 4.221 20 0 JIADMO O=C(c1ccco1)N1CC[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164956983 722048264 /nfs/dbraw/zinc/04/82/64/722048264.db2.gz GJNBSEHTCNTQQS-QUCCMNQESA-N 1 1 491.661 4.500 20 0 JIADMO c1ccc(CN2CCc3nc(N4CCC5(CC4)COCC[N@H+](Cc4ccncc4)C5)ccc3C2)cc1 ZINC001164963827 722054289 /nfs/dbraw/zinc/05/42/89/722054289.db2.gz MSFRAFNDLKIMDX-UHFFFAOYSA-N 1 1 483.660 4.154 20 0 JIADMO c1ccc(CN2CCc3nc(N4CCC5(CC4)COCC[N@@H+](Cc4ccncc4)C5)ccc3C2)cc1 ZINC001164963827 722054290 /nfs/dbraw/zinc/05/42/90/722054290.db2.gz MSFRAFNDLKIMDX-UHFFFAOYSA-N 1 1 483.660 4.154 20 0 JIADMO COc1ccc2c(cc(Cl)nc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164961616 722057933 /nfs/dbraw/zinc/05/79/33/722057933.db2.gz MTTPEOGNRMSJRZ-UHFFFAOYSA-N 1 1 452.986 4.411 20 0 JIADMO 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CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1 ZINC001165000147 722250002 /nfs/dbraw/zinc/25/00/02/722250002.db2.gz DXTCVSGNFPKYJF-NVQXNPDNSA-N 1 1 452.599 4.123 20 0 JIADMO Cc1nc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)nn1-c1ccccc1 ZINC001354544313 1069319426 /nfs/dbraw/zinc/31/94/26/1069319426.db2.gz AEKMMIMFCBNXLS-FQEVSTJZSA-N 1 1 457.500 4.102 20 0 JIADMO C[NH+]1CCN(c2cccnc2NC(=S)Nc2ccc(Br)cc2OC(F)(F)F)CC1 ZINC001200710623 1069351777 /nfs/dbraw/zinc/35/17/77/1069351777.db2.gz ZWUDKIYJWMRNNA-UHFFFAOYSA-N 1 1 490.349 4.303 20 0 JIADMO COc1ccccc1OCc1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCCn1cc[nH+]c1C ZINC001300661840 1069375857 /nfs/dbraw/zinc/37/58/57/1069375857.db2.gz YDXAQSMDSRXYEC-SJLPKXTDSA-N 1 1 478.519 4.096 20 0 JIADMO COc1ccccc1SCc1nnc(N(C)CCOC(C)(C)C)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001300668412 1069394380 /nfs/dbraw/zinc/39/43/80/1069394380.db2.gz ZYISLRNQDDMLSH-IBGZPJMESA-N 1 1 484.670 4.289 20 0 JIADMO C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001359347039 1069418337 /nfs/dbraw/zinc/41/83/37/1069418337.db2.gz CFIGQFACPLWJKU-YDPLAMGBSA-N 1 1 485.592 4.361 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001359350582 1069429965 /nfs/dbraw/zinc/42/99/65/1069429965.db2.gz IXYHLRJVLBIPQB-RTBURBONSA-N 1 1 489.064 4.003 20 0 JIADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(Cl)cc3Cl)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001359358045 1069449155 /nfs/dbraw/zinc/44/91/55/1069449155.db2.gz SLEUORUHUMZCBD-AEFFLSMTSA-N 1 1 479.456 4.041 20 0 JIADMO CC(=O)N1CCCN(c2nnc(-c3ccccc3Cl)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001359375408 1069481389 /nfs/dbraw/zinc/48/13/89/1069481389.db2.gz MGLDQDVQNMKMAX-FQEVSTJZSA-N 1 1 473.065 4.169 20 0 JIADMO CC(=O)Nc1cccc(Cn2c(C(C)C)nnc2N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC001359408916 1069521590 /nfs/dbraw/zinc/52/15/90/1069521590.db2.gz DYZZCVMMZWURAL-NFBKMPQASA-N 1 1 452.647 4.499 20 0 JIADMO 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COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001316232692 1065960181 /nfs/dbraw/zinc/96/01/81/1065960181.db2.gz DKLYGMMOUUYXJY-XMMPIXPASA-N 1 1 467.658 4.136 20 0 JIADMO COCCOC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001316249227 1065990945 /nfs/dbraw/zinc/99/09/45/1065990945.db2.gz JPJMOHYKHAAQJP-VWLOTQADSA-N 1 1 499.700 4.226 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(F)(F)F)n1CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001316270905 1066015587 /nfs/dbraw/zinc/01/55/87/1066015587.db2.gz ZKTZTUWADKHMTL-YJMBLLCNSA-N 1 1 495.590 4.301 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CC(C)C ZINC001316270879 1066015718 /nfs/dbraw/zinc/01/57/18/1066015718.db2.gz OMFTYTRUKJSLPM-ONTLXTELSA-N 1 1 455.647 4.147 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1CC[N@@H+](C)C1CCCC1 ZINC001316273773 1066021938 /nfs/dbraw/zinc/02/19/38/1066021938.db2.gz RBBCIXKNYSOCQR-BSRJHKFKSA-N 1 1 477.600 4.352 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCCc2ccccc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001316277777 1066031093 /nfs/dbraw/zinc/03/10/93/1066031093.db2.gz FEBJRELQGPUMQA-VXNXHJTFSA-N 1 1 469.674 4.192 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001316300475 1066060461 /nfs/dbraw/zinc/06/04/61/1066060461.db2.gz KJFWJNJQKNPYOO-NUUGVNSMSA-N 1 1 494.105 4.289 20 0 JIADMO CO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001316325559 1066082513 /nfs/dbraw/zinc/08/25/13/1066082513.db2.gz YQQJQDWVMWMMRC-PXNSSMCTSA-N 1 1 487.446 4.171 20 0 JIADMO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1OC ZINC001316329654 1066085828 /nfs/dbraw/zinc/08/58/28/1066085828.db2.gz AALCLTAGMXUVAT-YUXAGFNASA-N 1 1 462.038 4.103 20 0 JIADMO CSC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316364831 1066103372 /nfs/dbraw/zinc/10/33/72/1066103372.db2.gz TYIXRKNMQGGPNI-CEXWTWQISA-N 1 1 479.666 4.244 20 0 JIADMO CSC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316364831 1066103383 /nfs/dbraw/zinc/10/33/83/1066103383.db2.gz TYIXRKNMQGGPNI-CEXWTWQISA-N 1 1 479.666 4.244 20 0 JIADMO CSC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001316366941 1066109696 /nfs/dbraw/zinc/10/96/96/1066109696.db2.gz DADLTWKOOGYQKO-UHFFFAOYSA-N 1 1 474.078 4.186 20 0 JIADMO CS[C@H](C)Cn1c(-c2ccccc2F)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001316380365 1066148721 /nfs/dbraw/zinc/14/87/21/1066148721.db2.gz ZDKRXFGYBWWPRV-KGVIQGDOSA-N 1 1 471.650 4.089 20 0 JIADMO CS[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001316381624 1066149793 /nfs/dbraw/zinc/14/97/93/1066149793.db2.gz GOTIOTOGDUGPIQ-INIZCTEOSA-N 1 1 463.623 4.282 20 0 JIADMO CS[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001316384326 1066153841 /nfs/dbraw/zinc/15/38/41/1066153841.db2.gz STPFLDRETSLZMC-RTBURBONSA-N 1 1 470.712 4.486 20 0 JIADMO 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 ZINC001316394945 1066171148 /nfs/dbraw/zinc/17/11/48/1066171148.db2.gz PKSUDGIJMJEMFU-WTGUMLROSA-N 1 1 492.734 4.111 20 0 JIADMO CS[C@@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)C(C)(C)C ZINC001316397142 1066174688 /nfs/dbraw/zinc/17/46/88/1066174688.db2.gz MCBGJDHKMZJOCM-OFVILXPXSA-N 1 1 457.688 4.332 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001316421916 1066229490 /nfs/dbraw/zinc/22/94/90/1066229490.db2.gz IHMHOSOHICVSDE-RBBKRZOGSA-N 1 1 493.681 4.168 20 0 JIADMO C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001324857419 1066230889 /nfs/dbraw/zinc/23/08/89/1066230889.db2.gz JJTZTPJVZIQQKE-FUHWJXTLSA-N 1 1 468.648 4.382 20 0 JIADMO CSc1ccccc1CN(C)c1nnc(C2CCCC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001316422743 1066232232 /nfs/dbraw/zinc/23/22/32/1066232232.db2.gz CLBKPLOAGABXHB-QFIPXVFZSA-N 1 1 484.714 4.237 20 0 JIADMO COc1ccc(-c2nn(CN3CCC[N@H+]4CCC[C@@H]4C3)c(=S)n2-c2ccc(OC)cc2)cc1 ZINC001324981046 1066233796 /nfs/dbraw/zinc/23/37/96/1066233796.db2.gz ZSWMQMVOYZKXTE-OAQYLSRUSA-N 1 1 465.623 4.215 20 0 JIADMO CS[C@H]1CCCCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001316423538 1066236283 /nfs/dbraw/zinc/23/62/83/1066236283.db2.gz ONOSOYYQTZUJTO-XLIONFOSSA-N 1 1 494.503 4.150 20 0 JIADMO CS[C@H]1CCCCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001316423537 1066236362 /nfs/dbraw/zinc/23/63/62/1066236362.db2.gz ONOSOYYQTZUJTO-PXNSSMCTSA-N 1 1 494.503 4.150 20 0 JIADMO CS[C@H]1CCCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001316423512 1066236528 /nfs/dbraw/zinc/23/65/28/1066236528.db2.gz NXVDUAAIESYLQM-RDJZCZTQSA-N 1 1 467.481 4.242 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001316428135 1066254725 /nfs/dbraw/zinc/25/47/25/1066254725.db2.gz NCJDESSBXLJFPS-RPWUZVMVSA-N 1 1 471.715 4.256 20 0 JIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)CC1 ZINC001325579505 1066255519 /nfs/dbraw/zinc/25/55/19/1066255519.db2.gz KWMHVBZKXWZCRV-UHFFFAOYSA-N 1 1 466.626 4.437 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc(COc3cccc(C)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001316431018 1066267566 /nfs/dbraw/zinc/26/75/66/1066267566.db2.gz RNDQOTGGPBHCQI-AOHZBQACSA-N 1 1 487.714 4.387 20 0 JIADMO Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc4[nH]c(C[NH+]5CCCCC5)nc4c3)CCC2=O)c1 ZINC001325992310 1066278822 /nfs/dbraw/zinc/27/88/22/1066278822.db2.gz RAKXVQIWKKKIPO-UHFFFAOYSA-N 1 1 458.566 4.287 20 0 JIADMO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001326128045 1066285397 /nfs/dbraw/zinc/28/53/97/1066285397.db2.gz CBWPKWOLUOPJRH-UHFFFAOYSA-N 1 1 471.605 4.316 20 0 JIADMO CSC[C@H]1CCCN1c1nnc(Cc2ccncc2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001316440036 1066297998 /nfs/dbraw/zinc/29/79/98/1066297998.db2.gz SQAFFXZRDLXBKY-RZUBCFFCSA-N 1 1 456.704 4.352 20 0 JIADMO CSCC[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001316444701 1066311142 /nfs/dbraw/zinc/31/11/42/1066311142.db2.gz BLPQKRTXPXBNJS-VQTJNVASSA-N 1 1 497.717 4.009 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CCC3CCOCC3)n2CC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC001492503170 1066312799 /nfs/dbraw/zinc/31/27/99/1066312799.db2.gz XHWUAHJUCYFTME-UHFFFAOYSA-N 1 1 466.605 4.173 20 0 JIADMO C[C@]1(c2cccc(C[NH2+]Cc3sc(Sc4ccccc4)nc3Cl)c2)NC(=O)NC1=O ZINC001327212315 1066313482 /nfs/dbraw/zinc/31/34/82/1066313482.db2.gz FGQFRJQYAQZGGF-OAQYLSRUSA-N 1 1 458.996 4.292 20 0 JIADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1nn(-c2ccccc2F)cc1Br ZINC001328304284 1066322716 /nfs/dbraw/zinc/32/27/16/1066322716.db2.gz TUGYWEQBYFCNEA-UHFFFAOYSA-N 1 1 454.303 4.198 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001316448863 1066324801 /nfs/dbraw/zinc/32/48/01/1066324801.db2.gz FYKJRRYZQAHHTM-YDHSSHFGSA-N 1 1 490.743 4.123 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(n4ccc(C(F)(F)F)n4)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001492509994 1066339920 /nfs/dbraw/zinc/33/99/20/1066339920.db2.gz DNUQEDSMVRUKPF-UHFFFAOYSA-N 1 1 490.578 4.436 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001492514214 1066354418 /nfs/dbraw/zinc/35/44/18/1066354418.db2.gz LLROIISKYOBECI-PMACEKPBSA-N 1 1 480.579 4.461 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC001492514807 1066357208 /nfs/dbraw/zinc/35/72/08/1066357208.db2.gz VJYWUOWUNLGIGM-NHCUHLMSSA-N 1 1 497.688 4.215 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)CSc3ccc(Br)cc3)C2)ccn1 ZINC001331299329 1066357772 /nfs/dbraw/zinc/35/77/72/1066357772.db2.gz GAVWYLMBXDKQKD-FQEVSTJZSA-N 1 1 478.456 4.456 20 0 JIADMO 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 1066363317 /nfs/dbraw/zinc/36/33/17/1066363317.db2.gz MOGQXPWZRCEQCE-ILWGZMRPSA-N 1 1 497.688 4.262 20 0 JIADMO 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CSCCCn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001316475054 1066385159 /nfs/dbraw/zinc/38/51/59/1066385159.db2.gz NEOYVNIZAMAASW-UHFFFAOYSA-N 1 1 452.466 4.381 20 0 JIADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1ccccc1Br ZINC001316492638 1066432588 /nfs/dbraw/zinc/43/25/88/1066432588.db2.gz OUCPEAHSBHTYFQ-QGZVFWFLSA-N 1 1 476.463 4.076 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCCCO2)n1CC(F)(F)Br ZINC001316497061 1066448797 /nfs/dbraw/zinc/44/87/97/1066448797.db2.gz OKVLCDFRDSUSHK-AEFFLSMTSA-N 1 1 484.389 4.218 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(C2CC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001316497787 1066451423 /nfs/dbraw/zinc/45/14/23/1066451423.db2.gz UWPQHAPTKGQYSC-LJQANCHMSA-N 1 1 468.646 4.170 20 0 JIADMO COc1cc(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC001337084116 1066457229 /nfs/dbraw/zinc/45/72/29/1066457229.db2.gz AHDAGNFRPNMCPS-JOCHJYFZSA-N 1 1 465.619 4.054 20 0 JIADMO C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCCC[N@H+]2CCC[C@@H]2CO)C[C@H](C)C1(F)F ZINC001316500134 1066459445 /nfs/dbraw/zinc/45/94/45/1066459445.db2.gz CLELYSSLAAADLP-FUPPJEDESA-N 1 1 475.628 4.028 20 0 JIADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCC[N@H+]2C2CC2)CCN1C(=O)OC(C)(C)C ZINC001316501147 1066461947 /nfs/dbraw/zinc/46/19/47/1066461947.db2.gz PAJPEUVPEYUKSW-FPOVZHCZSA-N 1 1 474.694 4.329 20 0 JIADMO C[C@H]1COC(C)(C)CN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001316505937 1066480907 /nfs/dbraw/zinc/48/09/07/1066480907.db2.gz ZYMPDKQRWHLKIV-MAUKXSAKSA-N 1 1 479.467 4.160 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)CC2)cc1 ZINC001337476615 1066485384 /nfs/dbraw/zinc/48/53/84/1066485384.db2.gz XBAVHFBZIZJFBQ-UHFFFAOYSA-N 1 1 450.533 4.296 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccnc3SCc3ccc(C(N)=O)cc3)CC2)cc1 ZINC001337593070 1066496902 /nfs/dbraw/zinc/49/69/02/1066496902.db2.gz DTSGYSMLDSAVBB-UHFFFAOYSA-N 1 1 474.630 4.129 20 0 JIADMO CCOC(=O)c1ccn(-c2cccc(NC(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)n1 ZINC001337910942 1066519312 /nfs/dbraw/zinc/51/93/12/1066519312.db2.gz CFRBTHAPKNYGJM-OAQYLSRUSA-N 1 1 461.566 4.083 20 0 JIADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001338459877 1066557591 /nfs/dbraw/zinc/55/75/91/1066557591.db2.gz ISZNWOQMPOJJGX-HXUWFJFHSA-N 1 1 463.651 4.426 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)C1 ZINC001338708565 1066567727 /nfs/dbraw/zinc/56/77/27/1066567727.db2.gz FCMIJRJCISJVMQ-GOSISDBHSA-N 1 1 473.415 4.233 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001492536960 1066592866 /nfs/dbraw/zinc/59/28/66/1066592866.db2.gz MDFMYDCJCLLZHT-PFATUAPWSA-N 1 1 496.700 4.123 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)CC3CC(F)(F)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492538691 1066614086 /nfs/dbraw/zinc/61/40/86/1066614086.db2.gz OEQGMMXJJFXGNC-QFIPXVFZSA-N 1 1 477.600 4.004 20 0 JIADMO OCCC[N@H+]1CCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001316590695 1066620051 /nfs/dbraw/zinc/62/00/51/1066620051.db2.gz UJRSFRUJEYLTJV-FQEVSTJZSA-N 1 1 457.585 4.026 20 0 JIADMO Cc1nc(C)c(CCn2c(COc3cccc(C)c3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)s1 ZINC001492539147 1066625199 /nfs/dbraw/zinc/62/51/99/1066625199.db2.gz DMPACCCXMKKFMK-UHFFFAOYSA-N 1 1 498.697 4.029 20 0 JIADMO Cc1nc(C)c(CCn2c(COc3cccc(C)c3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)s1 ZINC001492539147 1066625205 /nfs/dbraw/zinc/62/52/05/1066625205.db2.gz DMPACCCXMKKFMK-UHFFFAOYSA-N 1 1 498.697 4.029 20 0 JIADMO Cc1cccc(OCc2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCCC(C)(C)C)c1 ZINC001492539419 1066625580 /nfs/dbraw/zinc/62/55/80/1066625580.db2.gz COASILFBYMEQFD-GGAORHGYSA-N 1 1 455.647 4.149 20 0 JIADMO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC001474663897 1066628138 /nfs/dbraw/zinc/62/81/38/1066628138.db2.gz UDHAPHLZTLCUBZ-LJQANCHMSA-N 1 1 450.320 4.231 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001492540923 1066637226 /nfs/dbraw/zinc/63/72/26/1066637226.db2.gz BPQWVFQDYGLOJW-HSZRJFAPSA-N 1 1 482.717 4.312 20 0 JIADMO Cc1cccc(OCc2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001492542052 1066651895 /nfs/dbraw/zinc/65/18/95/1066651895.db2.gz KSEMWCOBOGJMDA-FCHUYYIVSA-N 1 1 498.672 4.095 20 0 JIADMO Cc1cccc(OCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2C[C@@](C)(O)CCC(C)C)c1 ZINC001492542381 1066657241 /nfs/dbraw/zinc/65/72/41/1066657241.db2.gz NAHBHMZWEQYWDY-UFPGJGBJSA-N 1 1 455.647 4.026 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)CC2)cc1 ZINC001317742030 1066660395 /nfs/dbraw/zinc/66/03/95/1066660395.db2.gz VXYLYKZXLSMLRE-LJQANCHMSA-N 1 1 478.662 4.497 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001492543832 1066675622 /nfs/dbraw/zinc/67/56/22/1066675622.db2.gz ZGKVMMUCINBUJL-QHCPKHFHSA-N 1 1 496.700 4.027 20 0 JIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC001317807369 1066700688 /nfs/dbraw/zinc/70/06/88/1066700688.db2.gz FNTUURHEOPJURW-RCCKNPSSSA-N 1 1 475.578 4.402 20 0 JIADMO Cc1nc[nH]c(=O)c1CCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC001317815382 1066704869 /nfs/dbraw/zinc/70/48/69/1066704869.db2.gz MMGJFVITFXEERK-UHFFFAOYSA-N 1 1 456.999 4.150 20 0 JIADMO CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCC[N@@H+](Cc4ccc(C)cc4)CC3)c2)n1 ZINC001317841397 1066724496 /nfs/dbraw/zinc/72/44/96/1066724496.db2.gz VQXZWARQIYZZIV-UHFFFAOYSA-N 1 1 461.566 4.097 20 0 JIADMO CC(C)c1ccc([C@H](CNC(=O)NCCc2cnn(C)c2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001317862919 1066739878 /nfs/dbraw/zinc/73/98/78/1066739878.db2.gz FCPXYGLUGTWJNA-QHCPKHFHSA-N 1 1 451.640 4.246 20 0 JIADMO CC(C)c1ccc([C@H](CNC(=O)NCCc2cnn(C)c2)[N@H+]2CCc3sccc3C2)cc1 ZINC001317862919 1066739887 /nfs/dbraw/zinc/73/98/87/1066739887.db2.gz FCPXYGLUGTWJNA-QHCPKHFHSA-N 1 1 451.640 4.246 20 0 JIADMO CCc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cs2)cc1 ZINC001348476133 1066748411 /nfs/dbraw/zinc/74/84/11/1066748411.db2.gz LWNKQZOIFDRCBF-XMSQKQJNSA-N 1 1 463.603 4.309 20 0 JIADMO CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC001317898919 1066769134 /nfs/dbraw/zinc/76/91/34/1066769134.db2.gz IAKLUONSWNDPRM-QFIPXVFZSA-N 1 1 486.682 4.004 20 0 JIADMO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC001317898918 1066769308 /nfs/dbraw/zinc/76/93/08/1066769308.db2.gz IAKLUONSWNDPRM-JOCHJYFZSA-N 1 1 486.682 4.004 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCN(C(C)C)CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001492546985 1066857137 /nfs/dbraw/zinc/85/71/37/1066857137.db2.gz JYKQIICWWFNZTK-ZEQRLZLVSA-N 1 1 468.690 4.064 20 0 JIADMO CN(C)C(=O)c1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001349638579 1066864674 /nfs/dbraw/zinc/86/46/74/1066864674.db2.gz WSZVOKGVFCGUCP-GGXMVOPNSA-N 1 1 455.602 4.095 20 0 JIADMO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)C1 ZINC001318046161 1066869625 /nfs/dbraw/zinc/86/96/25/1066869625.db2.gz JWCFVMXRJLXIDJ-HNNXBMFYSA-N 1 1 470.422 4.256 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)C1 ZINC001318046161 1066869628 /nfs/dbraw/zinc/86/96/28/1066869628.db2.gz JWCFVMXRJLXIDJ-HNNXBMFYSA-N 1 1 470.422 4.256 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2OC)C1 ZINC001318084208 1066891940 /nfs/dbraw/zinc/89/19/40/1066891940.db2.gz JOCTZFLGRUZDMM-WMVAVLGLSA-N 1 1 479.621 4.036 20 0 JIADMO O=C(NCc1ccc2c(c1)OCO2)[C@H](c1ccccc1)[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001318173396 1066939124 /nfs/dbraw/zinc/93/91/24/1066939124.db2.gz LJCGOSGRQSSHAV-SVBPBHIXSA-N 1 1 483.568 4.221 20 0 JIADMO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001318225871 1066970757 /nfs/dbraw/zinc/97/07/57/1066970757.db2.gz GNRMLLNVLQKBNE-JOCHJYFZSA-N 1 1 452.643 4.042 20 0 JIADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)CC1 ZINC001318243750 1066980997 /nfs/dbraw/zinc/98/09/97/1066980997.db2.gz XVPOSYGCGKFRIM-OYRHEFFESA-N 1 1 467.633 4.046 20 0 JIADMO COc1ccc2[nH]cc(C3CCN(C(=O)NCc4cccc(C[NH+]5CCN(C)CC5)c4)CC3)c2c1 ZINC001318251511 1066984625 /nfs/dbraw/zinc/98/46/25/1066984625.db2.gz YGUGMTLWGBIVFR-UHFFFAOYSA-N 1 1 475.637 4.013 20 0 JIADMO C[NH+](C)[C@H](CNC(=O)NCc1ccccc1CNC(=O)OC(C)(C)C)c1ccccc1Cl ZINC001318309636 1067011157 /nfs/dbraw/zinc/01/11/57/1067011157.db2.gz YRCIUKHUSCTVFE-OAQYLSRUSA-N 1 1 461.006 4.467 20 0 JIADMO COc1ccncc1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300694160 1067047656 /nfs/dbraw/zinc/04/76/56/1067047656.db2.gz OIPFKUMHVVNJDW-UHFFFAOYSA-N 1 1 455.006 4.361 20 0 JIADMO CC(C)N(Cc1cc(Br)ccc1F)C(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001318509962 1067050489 /nfs/dbraw/zinc/05/04/89/1067050489.db2.gz UVHYXUPBBUFTBI-UHFFFAOYSA-N 1 1 491.449 4.456 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)c1 ZINC001351238100 1067063663 /nfs/dbraw/zinc/06/36/63/1067063663.db2.gz XPELYTRXHMMCLB-KRWDZBQOSA-N 1 1 456.518 4.450 20 0 JIADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2sc(-c3ccccc3)nc2C(F)F)c1 ZINC001351238100 1067063672 /nfs/dbraw/zinc/06/36/72/1067063672.db2.gz XPELYTRXHMMCLB-KRWDZBQOSA-N 1 1 456.518 4.450 20 0 JIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc(NC(=O)c4ccc(=O)[nH]c4)cc3)cc2)C1 ZINC001319116168 1067068118 /nfs/dbraw/zinc/06/81/18/1067068118.db2.gz ZFGVEHAFUHUTQQ-BGYRXZFFSA-N 1 1 472.589 4.447 20 0 JIADMO Cc1cccc(C)c1CCn1c(CC2CCCC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001492486033 1067075951 /nfs/dbraw/zinc/07/59/51/1067075951.db2.gz HBMGSCMXSCTFHY-UHFFFAOYSA-N 1 1 453.675 4.417 20 0 JIADMO Cc1cccc(C)c1CCn1c(CC2CCCC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001492486033 1067075968 /nfs/dbraw/zinc/07/59/68/1067075968.db2.gz HBMGSCMXSCTFHY-UHFFFAOYSA-N 1 1 453.675 4.417 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2ccc(Cl)cc2Br)cc1F ZINC001319940616 1067082480 /nfs/dbraw/zinc/08/24/80/1067082480.db2.gz ORDULAYJGAUJJU-UHFFFAOYSA-N 1 1 452.711 4.431 20 0 JIADMO CC(C)NC(=S)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001200788398 1067120058 /nfs/dbraw/zinc/12/00/58/1067120058.db2.gz HJUFVIXGTOMGGA-NRFANRHFSA-N 1 1 460.688 4.008 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)N(Cc3cc(Br)ccc3F)C3CC3)c2)CC1 ZINC001321514052 1067153401 /nfs/dbraw/zinc/15/34/01/1067153401.db2.gz YGPCZQRWDXQVAM-UHFFFAOYSA-N 1 1 489.433 4.210 20 0 JIADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)C[C@H](C)O1 ZINC001351667715 1067161049 /nfs/dbraw/zinc/16/10/49/1067161049.db2.gz NSPQHCXNVNRKHQ-CALCHBBNSA-N 1 1 452.530 4.160 20 0 JIADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)C[C@H](C)O1 ZINC001351667715 1067161069 /nfs/dbraw/zinc/16/10/69/1067161069.db2.gz NSPQHCXNVNRKHQ-CALCHBBNSA-N 1 1 452.530 4.160 20 0 JIADMO Fc1cc(Br)cc(Br)c1NC(=S)N1CC([NH+]2CCC(F)CC2)C1 ZINC001200798821 1067176650 /nfs/dbraw/zinc/17/66/50/1067176650.db2.gz GPZBGMDOUVDKRS-UHFFFAOYSA-N 1 1 469.193 4.166 20 0 JIADMO Cc1ccc(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001351751419 1067192705 /nfs/dbraw/zinc/19/27/05/1067192705.db2.gz UMEVNSSEHZXLIS-UHFFFAOYSA-N 1 1 459.472 4.338 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001492578003 1067200985 /nfs/dbraw/zinc/20/09/85/1067200985.db2.gz TZXDBFDLLCBNFB-QUCCMNQESA-N 1 1 470.065 4.321 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001492578004 1067201153 /nfs/dbraw/zinc/20/11/53/1067201153.db2.gz TZXDBFDLLCBNFB-UYAOXDASSA-N 1 1 470.065 4.321 20 0 JIADMO C[NH+](C)[C@@H](CNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)c1ccccc1Cl ZINC001321979866 1067236905 /nfs/dbraw/zinc/23/69/05/1067236905.db2.gz XWSJUYQVOLOASO-IBGZPJMESA-N 1 1 452.967 4.109 20 0 JIADMO Cc1nc(CSc2ccccc2C(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)cs1 ZINC001322424286 1067290521 /nfs/dbraw/zinc/29/05/21/1067290521.db2.gz QHJLAPQZICSHQY-UHFFFAOYSA-N 1 1 466.676 4.421 20 0 JIADMO COC(=O)/C=C\c1ccc(OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)c(OC)c1 ZINC001352119033 1067291602 /nfs/dbraw/zinc/29/16/02/1067291602.db2.gz VZUIEJZMDPPKGQ-URXJJBOYSA-N 1 1 472.541 4.098 20 0 JIADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C[C@H](C)O1 ZINC001352163356 1067303911 /nfs/dbraw/zinc/30/39/11/1067303911.db2.gz QQOUWWBHTFIOOI-CALCHBBNSA-N 1 1 456.974 4.403 20 0 JIADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C[C@H](C)O1 ZINC001352163356 1067303929 /nfs/dbraw/zinc/30/39/29/1067303929.db2.gz QQOUWWBHTFIOOI-CALCHBBNSA-N 1 1 456.974 4.403 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@H](C)c3cccc(N4CCOC4=O)c3)n2CC[N@H+](C)C(C)C)n1 ZINC001492494605 1067313953 /nfs/dbraw/zinc/31/39/53/1067313953.db2.gz DTDGADFCBKUPLW-HXUWFJFHSA-N 1 1 477.613 4.143 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001492552746 1067319400 /nfs/dbraw/zinc/31/94/00/1067319400.db2.gz DMYOQZRVSIUIGD-FMGHJNRGSA-N 1 1 499.700 4.325 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001300772008 1067321303 /nfs/dbraw/zinc/32/13/03/1067321303.db2.gz HNZUVECXDDOODZ-JWQCQUIFSA-N 1 1 499.700 4.127 20 0 JIADMO CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001354994226 1067325043 /nfs/dbraw/zinc/32/50/43/1067325043.db2.gz UAWPSEANEWSOKB-NSYGIPOTSA-N 1 1 450.558 4.367 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001300773969 1067326641 /nfs/dbraw/zinc/32/66/41/1067326641.db2.gz VJYHCFZHARVAGE-ISKFKSNPSA-N 1 1 455.647 4.149 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)n1 ZINC001492495966 1067329324 /nfs/dbraw/zinc/32/93/24/1067329324.db2.gz JEAGHEBBSDNACM-LJQANCHMSA-N 1 1 452.578 4.096 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)n1 ZINC001492495966 1067329338 /nfs/dbraw/zinc/32/93/38/1067329338.db2.gz JEAGHEBBSDNACM-LJQANCHMSA-N 1 1 452.578 4.096 20 0 JIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CC1 ZINC001324196009 1067335031 /nfs/dbraw/zinc/33/50/31/1067335031.db2.gz WSVXUISIEUNJGL-UHFFFAOYSA-N 1 1 458.587 4.080 20 0 JIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ncsc2Br)c1 ZINC001355013329 1067336338 /nfs/dbraw/zinc/33/63/38/1067336338.db2.gz NLRXXTSKMIAPFR-LLVKDONJSA-N 1 1 455.353 4.110 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ncsc2Br)c1 ZINC001355013329 1067336353 /nfs/dbraw/zinc/33/63/53/1067336353.db2.gz NLRXXTSKMIAPFR-LLVKDONJSA-N 1 1 455.353 4.110 20 0 JIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(OCC(F)(F)F)o2)c1 ZINC001355013721 1067336774 /nfs/dbraw/zinc/33/67/74/1067336774.db2.gz WZCXQQOMFKDKCA-CYBMUJFWSA-N 1 1 457.424 4.425 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(OCC(F)(F)F)o2)c1 ZINC001355013721 1067336790 /nfs/dbraw/zinc/33/67/90/1067336790.db2.gz WZCXQQOMFKDKCA-CYBMUJFWSA-N 1 1 457.424 4.425 20 0 JIADMO Cc1cccc(-c2nnc(N(C)C[C@@H](C)c3nccs3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001492498099 1067340747 /nfs/dbraw/zinc/34/07/47/1067340747.db2.gz RVKDDYBFYAJFNU-GOSISDBHSA-N 1 1 453.660 4.467 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3ccco3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c(OC)c1 ZINC001300003019 1067345859 /nfs/dbraw/zinc/34/58/59/1067345859.db2.gz WKCYQRQOZSFSPD-QFIPXVFZSA-N 1 1 453.587 4.312 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3scnc3C)n2CC[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300003179 1067346753 /nfs/dbraw/zinc/34/67/53/1067346753.db2.gz QNKFHFWXNZZDOF-KRWDZBQOSA-N 1 1 470.643 4.096 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3cnc(C)s3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300003704 1067348419 /nfs/dbraw/zinc/34/84/19/1067348419.db2.gz RCWDTNQJTYVWHD-HDICACEKSA-N 1 1 484.670 4.243 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3ccsc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c(OC)c1 ZINC001300006822 1067356041 /nfs/dbraw/zinc/35/60/41/1067356041.db2.gz RXJQPZXACCUGAM-NRFANRHFSA-N 1 1 485.654 4.017 20 0 JIADMO COc1ccc(-c2nnc(N(C)CCc3cccs3)n2CC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC001300012239 1067366686 /nfs/dbraw/zinc/36/66/86/1067366686.db2.gz UVFITPCNNARAGH-IBGZPJMESA-N 1 1 469.655 4.435 20 0 JIADMO COc1ccc(-c2nnc(N(C)[C@@H](C)C3CCCCC3)n2CC(C)(C)[NH+]2CCOCC2)cc1OC ZINC001300017361 1067379256 /nfs/dbraw/zinc/37/92/56/1067379256.db2.gz SUONRSWJNIQDLU-FQEVSTJZSA-N 1 1 485.673 4.478 20 0 JIADMO CC[C@H](C)NC(=O)c1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001355178744 1067385498 /nfs/dbraw/zinc/38/54/98/1067385498.db2.gz JWDMDBGRBAEPHA-NJTBCWBZSA-N 1 1 470.617 4.142 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@H](C)CC(C)(C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300021818 1067386463 /nfs/dbraw/zinc/38/64/63/1067386463.db2.gz KVCFBPZKQLXOML-NFBKMPQASA-N 1 1 455.647 4.183 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC001300023554 1067392125 /nfs/dbraw/zinc/39/21/25/1067392125.db2.gz HLQBIFQQZWFOCR-UFYCRDLUSA-N 1 1 473.687 4.413 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)c1 ZINC001355238074 1067393665 /nfs/dbraw/zinc/39/36/65/1067393665.db2.gz CUZMMRLEHQOMSP-QFIPXVFZSA-N 1 1 450.926 4.229 20 0 JIADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)c1 ZINC001355238074 1067393677 /nfs/dbraw/zinc/39/36/77/1067393677.db2.gz CUZMMRLEHQOMSP-QFIPXVFZSA-N 1 1 450.926 4.229 20 0 JIADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)C2(C3CCCCC3)CCCCC2)c1 ZINC001355265777 1067398389 /nfs/dbraw/zinc/39/83/89/1067398389.db2.gz MQUJWIHYEKZCJU-UHFFFAOYSA-N 1 1 455.643 4.494 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCSCC(C)C)cc1OC ZINC001300026818 1067399437 /nfs/dbraw/zinc/39/94/37/1067399437.db2.gz FRNQBCGJGFISPS-ICSRJNTNSA-N 1 1 459.660 4.024 20 0 JIADMO 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Cc1ccccc1Cc1nnc(N2CCC=C(Br)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001492583924 1067567379 /nfs/dbraw/zinc/56/73/79/1067567379.db2.gz YKTRCJCTIWNOKK-QFIPXVFZSA-N 1 1 488.474 4.023 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2(OC)CCCCC2)cc1OC ZINC001300062290 1067568903 /nfs/dbraw/zinc/56/89/03/1067568903.db2.gz YAFNGGQVOLCWPG-UHFFFAOYSA-N 1 1 471.646 4.232 20 0 JIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)C1 ZINC001355843447 1067590530 /nfs/dbraw/zinc/59/05/30/1067590530.db2.gz ZNAJCMQASWEPQE-JTSKRJEESA-N 1 1 453.384 4.259 20 0 JIADMO COc1ccc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CCCC(C)(C)C)c(OC)c1 ZINC001300072082 1067593959 /nfs/dbraw/zinc/59/39/59/1067593959.db2.gz XHHNACURFKKKNC-HXUWFJFHSA-N 1 1 485.673 4.478 20 0 JIADMO COc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300076923 1067605473 /nfs/dbraw/zinc/60/54/73/1067605473.db2.gz JJAOGMNLVLUIMJ-HYBUGGRVSA-N 1 1 485.673 4.334 20 0 JIADMO COc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300077976 1067610257 /nfs/dbraw/zinc/61/02/57/1067610257.db2.gz DOKJZPIWYIZOCY-FXAWDEMLSA-N 1 1 481.563 4.232 20 0 JIADMO COc1ccc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300080682 1067617516 /nfs/dbraw/zinc/61/75/16/1067617516.db2.gz XLUASDOLMMBWAE-WOJBJXKFSA-N 1 1 455.647 4.468 20 0 JIADMO CCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC001200106171 1067630474 /nfs/dbraw/zinc/63/04/74/1067630474.db2.gz ARWZTLHUAYJITI-UHFFFAOYSA-N 1 1 450.583 4.426 20 0 JIADMO CC[C@H](CNC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)Oc1ccccc1F ZINC001200106150 1067630542 /nfs/dbraw/zinc/63/05/42/1067630542.db2.gz AJWISVSMMSXNTG-OAQYLSRUSA-N 1 1 454.546 4.092 20 0 JIADMO COc1ccc(-c2nnc(N3CCSCC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1Br ZINC001300087906 1067634462 /nfs/dbraw/zinc/63/44/62/1067634462.db2.gz KCBQRMKRPWLXPL-IRXDYDNUSA-N 1 1 494.503 4.390 20 0 JIADMO Cc1ccc(-c2nn(C)cc2C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)o1 ZINC001356090378 1067656417 /nfs/dbraw/zinc/65/64/17/1067656417.db2.gz DRAHLDLLZBVIMS-UHFFFAOYSA-N 1 1 457.372 4.145 20 0 JIADMO O=C(NC1CCN(Cc2ccc(Br)cc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001356091315 1067656563 /nfs/dbraw/zinc/65/65/63/1067656563.db2.gz MQCHXYXGJGWKKF-OAQYLSRUSA-N 1 1 456.428 4.052 20 0 JIADMO COc1ccc([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)C2)cc1 ZINC001300099578 1067671483 /nfs/dbraw/zinc/67/14/83/1067671483.db2.gz HYQWRUAUXFTYMB-GMAHTHKFSA-N 1 1 469.674 4.370 20 0 JIADMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001352757827 1067706896 /nfs/dbraw/zinc/70/68/96/1067706896.db2.gz UGBWRDDEWCTGBG-ZEQRLZLVSA-N 1 1 459.993 4.023 20 0 JIADMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001352757827 1067706903 /nfs/dbraw/zinc/70/69/03/1067706903.db2.gz UGBWRDDEWCTGBG-ZEQRLZLVSA-N 1 1 459.993 4.023 20 0 JIADMO COc1ccc(CCc2nnc(N(C)Cc3ccco3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300111866 1067713078 /nfs/dbraw/zinc/71/30/78/1067713078.db2.gz RULCXEYYBBEBIQ-HSZRJFAPSA-N 1 1 451.615 4.422 20 0 JIADMO COc1ccc(CCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001300117984 1067729879 /nfs/dbraw/zinc/72/98/79/1067729879.db2.gz RXJPJLBXMGVJAQ-JOCHJYFZSA-N 1 1 469.674 4.055 20 0 JIADMO COc1ccc(CCc2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001300117984 1067729896 /nfs/dbraw/zinc/72/98/96/1067729896.db2.gz RXJPJLBXMGVJAQ-JOCHJYFZSA-N 1 1 469.674 4.055 20 0 JIADMO COc1ccc(CCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001300118179 1067730536 /nfs/dbraw/zinc/73/05/36/1067730536.db2.gz UGZPHFGIKUAVAC-QFIPXVFZSA-N 1 1 469.674 4.055 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC(F)(F)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300119200 1067733172 /nfs/dbraw/zinc/73/31/72/1067733172.db2.gz PZZOOVPESQCBNH-HXUWFJFHSA-N 1 1 461.601 4.429 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC(F)(F)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300119199 1067733239 /nfs/dbraw/zinc/73/32/39/1067733239.db2.gz PZZOOVPESQCBNH-FQEVSTJZSA-N 1 1 461.601 4.429 20 0 JIADMO Cc1ccc(NC(=S)N2CC[N@H+]3C[C@@H](OCc4cccc(C)n4)C[C@H]3C2)c(Br)c1 ZINC001200147021 1067757675 /nfs/dbraw/zinc/75/76/75/1067757675.db2.gz ZUXDIEQLFGMUNX-OALUTQOASA-N 1 1 475.456 4.133 20 0 JIADMO 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 1067765067 /nfs/dbraw/zinc/76/50/67/1067765067.db2.gz ICCOKDNWOGBHIA-FLRRRYEYSA-N 1 1 455.643 4.441 20 0 JIADMO COc1ccc(CCCN(C)c2nnc(-c3cccn3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300131382 1067767495 /nfs/dbraw/zinc/76/74/95/1067767495.db2.gz NWOVLTWBFALBQX-DEOSSOPVSA-N 1 1 464.658 4.482 20 0 JIADMO O=C(N1CCN(c2cccc(Cl)c2)CC1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001352868907 1067775840 /nfs/dbraw/zinc/77/58/40/1067775840.db2.gz MJWKZGOTSJWZQI-QFIPXVFZSA-N 1 1 451.920 4.443 20 0 JIADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1nc(Br)ccc1C ZINC001356623892 1067794591 /nfs/dbraw/zinc/79/45/91/1067794591.db2.gz UBMWBXGVFPLJKT-SFHVURJKSA-N 1 1 454.372 4.357 20 0 JIADMO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000849074995 1067797546 /nfs/dbraw/zinc/79/75/46/1067797546.db2.gz XPGXOMYZPJCJLV-UHFFFAOYSA-N 1 1 459.348 4.168 20 0 JIADMO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2n[nH]c(-c3ccc(Br)cc3)n2)c1 ZINC000849074995 1067797547 /nfs/dbraw/zinc/79/75/47/1067797547.db2.gz XPGXOMYZPJCJLV-UHFFFAOYSA-N 1 1 459.348 4.168 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccc3scc(Br)c3c2)c1 ZINC001357127542 1067807078 /nfs/dbraw/zinc/80/70/78/1067807078.db2.gz UXKYSXUTLGXQMX-SFHVURJKSA-N 1 1 458.381 4.366 20 0 JIADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc3scc(Br)c3c2)c1 ZINC001357127542 1067807079 /nfs/dbraw/zinc/80/70/79/1067807079.db2.gz UXKYSXUTLGXQMX-SFHVURJKSA-N 1 1 458.381 4.366 20 0 JIADMO COc1ccc(CCn2c(N3CC[NH+](Cc4ccsc4)CC3)nnc2C(C)(C)C)c(OC)c1OC ZINC001300157212 1067813858 /nfs/dbraw/zinc/81/38/58/1067813858.db2.gz HYAFYHJUFHPOOD-UHFFFAOYSA-N 1 1 499.681 4.228 20 0 JIADMO 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 1067817217 /nfs/dbraw/zinc/81/72/17/1067817217.db2.gz HQXHLXXHAINLIC-IUBSTNSRSA-N 1 1 473.658 4.290 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC001300162568 1067818129 /nfs/dbraw/zinc/81/81/29/1067818129.db2.gz PABULTQWJVHVCX-JOCHJYFZSA-N 1 1 480.657 4.305 20 0 JIADMO Cc1ccc(NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC001357209719 1067818896 /nfs/dbraw/zinc/81/88/96/1067818896.db2.gz NVAFKPLFUHJNPC-ICSRJNTNSA-N 1 1 458.603 4.003 20 0 JIADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)C[C@H](C)O1 ZINC001357221750 1067820775 /nfs/dbraw/zinc/82/07/75/1067820775.db2.gz YLNMGWCRTCKZGO-CALCHBBNSA-N 1 1 456.974 4.403 20 0 JIADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)C[C@H](C)O1 ZINC001357221750 1067820779 /nfs/dbraw/zinc/82/07/79/1067820779.db2.gz YLNMGWCRTCKZGO-CALCHBBNSA-N 1 1 456.974 4.403 20 0 JIADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)C[C@H](C)O1 ZINC001357221754 1067820796 /nfs/dbraw/zinc/82/07/96/1067820796.db2.gz YLNMGWCRTCKZGO-IRXDYDNUSA-N 1 1 456.974 4.403 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001492584889 1067823054 /nfs/dbraw/zinc/82/30/54/1067823054.db2.gz UXKAWFLTLMOKDB-PFATUAPWSA-N 1 1 494.728 4.429 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1OC(F)F ZINC001300169893 1067828340 /nfs/dbraw/zinc/82/83/40/1067828340.db2.gz LYWNOWYANYIXIP-NQIIRXRSSA-N 1 1 493.599 4.498 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1OC ZINC001300176619 1067837290 /nfs/dbraw/zinc/83/72/90/1067837290.db2.gz ZYWRYJQSHTWRRE-DEOSSOPVSA-N 1 1 478.641 4.038 20 0 JIADMO C[C@H](CNC(=O)c1ccc(Cl)c(I)c1)[N@H+]1CCc2ccccc2C1 ZINC001357359878 1067838856 /nfs/dbraw/zinc/83/88/56/1067838856.db2.gz OWOHAGZXGUHUIR-CYBMUJFWSA-N 1 1 454.739 4.121 20 0 JIADMO O=C(CSc1nnc(NCC(F)(F)F)s1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000489305775 1067844398 /nfs/dbraw/zinc/84/43/98/1067844398.db2.gz OKBRIMOUWDELPI-AWEZNQCLSA-N 1 1 479.981 4.211 20 0 JIADMO Cc1c(I)cccc1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC001353056036 1067847275 /nfs/dbraw/zinc/84/72/75/1067847275.db2.gz KOWOWAZCUAEYON-OAHLLOKOSA-N 1 1 450.320 4.245 20 0 JIADMO CC(C)c1ncc(Br)c(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001357493400 1067858775 /nfs/dbraw/zinc/85/87/75/1067858775.db2.gz CXZRBLSBZGSBIT-WSTZPKSXSA-N 1 1 457.416 4.393 20 0 JIADMO Cc1cc(Br)cc(C)c1NC(=S)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001200222583 1067865634 /nfs/dbraw/zinc/86/56/34/1067865634.db2.gz TUORWILKWLTZSU-GASCZTMLSA-N 1 1 451.459 4.283 20 0 JIADMO Cc1cc(Br)cc(C)c1NC(=S)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001200222583 1067865639 /nfs/dbraw/zinc/86/56/39/1067865639.db2.gz TUORWILKWLTZSU-GASCZTMLSA-N 1 1 451.459 4.283 20 0 JIADMO Cc1[nH+]ccn1CCn1c(-c2ccccc2C)nnc1N(C)Cc1ccc(Br)o1 ZINC001492557423 1067871587 /nfs/dbraw/zinc/87/15/87/1067871587.db2.gz KLMZYJGRZRLJGZ-UHFFFAOYSA-N 1 1 455.360 4.451 20 0 JIADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CN(C(=O)C2CCCCC2)C1 ZINC001357577939 1067873421 /nfs/dbraw/zinc/87/34/21/1067873421.db2.gz NQQOKRGYDHRQRO-UHFFFAOYSA-N 1 1 452.426 4.113 20 0 JIADMO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)c(OC)c1 ZINC001473291785 1067875556 /nfs/dbraw/zinc/87/55/56/1067875556.db2.gz JDSGFIGNTPRMIO-NZQKXSOJSA-N 1 1 454.542 4.244 20 0 JIADMO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)c(OC)c1 ZINC001473291785 1067875560 /nfs/dbraw/zinc/87/55/60/1067875560.db2.gz JDSGFIGNTPRMIO-NZQKXSOJSA-N 1 1 454.542 4.244 20 0 JIADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)cc1)C[C@H]1CCCCO1 ZINC001357599588 1067876082 /nfs/dbraw/zinc/87/60/82/1067876082.db2.gz QOCZPCWPUWUAKZ-ZLNRFVROSA-N 1 1 475.630 4.087 20 0 JIADMO CC(=O)NCc1ccc(-c2nc(NC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)sc2C)s1 ZINC001353146029 1067881125 /nfs/dbraw/zinc/88/11/25/1067881125.db2.gz BWMVUKIYCHVJPR-SFHVURJKSA-N 1 1 454.621 4.277 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(Cc3ccccc3)Cc3ccccc3)cc2)C1 ZINC001357643649 1067881745 /nfs/dbraw/zinc/88/17/45/1067881745.db2.gz ASNNKIAKMAIVGM-RUZDIDTESA-N 1 1 455.602 4.424 20 0 JIADMO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3ccsc3)CC2)cc1O ZINC001300213921 1067884314 /nfs/dbraw/zinc/88/43/14/1067884314.db2.gz ZLEKUWMKHNUMGO-UHFFFAOYSA-N 1 1 455.628 4.013 20 0 JIADMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(I)cc3)C[C@@H]21 ZINC001473302219 1067885854 /nfs/dbraw/zinc/88/58/54/1067885854.db2.gz MMUCNDZLNJGCRA-BPQIPLTHSA-N 1 1 456.368 4.416 20 0 JIADMO COc1ccc(Cn2c(CC(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c(C(F)(F)F)c1 ZINC001300215689 1067885952 /nfs/dbraw/zinc/88/59/52/1067885952.db2.gz DLWFNFRCUOEIBT-SFHVURJKSA-N 1 1 495.590 4.242 20 0 JIADMO COc1ccc(Oc2ccc(C(=O)NCC3([N@H+]4CCOC(C)(C)C4)CCCCC3)nc2)cc1 ZINC001353168365 1067887210 /nfs/dbraw/zinc/88/72/10/1067887210.db2.gz WNOQJTDIGLPQJT-UHFFFAOYSA-N 1 1 453.583 4.426 20 0 JIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)cc1 ZINC001357712437 1067890105 /nfs/dbraw/zinc/89/01/05/1067890105.db2.gz QVFGTMSUISKRBK-HEKZAOSPSA-N 1 1 457.615 4.273 20 0 JIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H](C(=O)OCc3ccccc3)C(C)(C)C)cc2)C[C@@H](C)O1 ZINC001357718852 1067891079 /nfs/dbraw/zinc/89/10/79/1067891079.db2.gz DMYYQSCCAYOYRO-YOSAUDMPSA-N 1 1 452.595 4.184 20 0 JIADMO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001357798893 1067902805 /nfs/dbraw/zinc/90/28/05/1067902805.db2.gz OWZMWHILZUNHIY-AWEZNQCLSA-N 1 1 455.352 4.041 20 0 JIADMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3cc(Br)ccc3C3CC3)cc2)CC1 ZINC001357805677 1067905760 /nfs/dbraw/zinc/90/57/60/1067905760.db2.gz XHKDOVUREDNBOR-UHFFFAOYSA-N 1 1 456.384 4.243 20 0 JIADMO COc1ccc(COCCCn2c(CC(C)(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1 ZINC001300232340 1067919207 /nfs/dbraw/zinc/91/92/07/1067919207.db2.gz SRZGNRSELXSLFL-JOCHJYFZSA-N 1 1 499.700 4.172 20 0 JIADMO 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 1067936398 /nfs/dbraw/zinc/93/63/98/1067936398.db2.gz JAEWNUHJGIEFKY-GKJHBJHPSA-N 1 1 456.549 4.202 20 0 JIADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)c3ccc(OC(F)F)c(F)c3)cc2)C[C@H]1C ZINC001357906964 1067938809 /nfs/dbraw/zinc/93/88/09/1067938809.db2.gz SBYGCSFDHYKOCM-CALCHBBNSA-N 1 1 450.501 4.366 20 0 JIADMO COc1ccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC001300249086 1067990975 /nfs/dbraw/zinc/99/09/75/1067990975.db2.gz LSPVMZPYGUUCDV-NRFANRHFSA-N 1 1 455.647 4.407 20 0 JIADMO COc1ccc(OC(F)F)c(Cn2c(CC(C)C)nnc2N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC001300253985 1068009886 /nfs/dbraw/zinc/00/98/86/1068009886.db2.gz NVMIPPJTPMRFKA-GOSISDBHSA-N 1 1 477.600 4.446 20 0 JIADMO Cc1ccccc1-c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001492562128 1068013294 /nfs/dbraw/zinc/01/32/94/1068013294.db2.gz FZXBASJVZOEEJP-FKBYEOEOSA-N 1 1 482.673 4.477 20 0 JIADMO CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001353309666 1068020145 /nfs/dbraw/zinc/02/01/45/1068020145.db2.gz SRODRPJHQWEISR-OAQYLSRUSA-N 1 1 453.892 4.192 20 0 JIADMO CC(=O)N[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cccc(Br)c1 ZINC001353328770 1068029004 /nfs/dbraw/zinc/02/90/04/1068029004.db2.gz QXAIHZUKGHQSHN-AOMKIAJQSA-N 1 1 458.400 4.497 20 0 JIADMO COc1ccc(OCc2nnc(N(C)Cc3cnc(C)s3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300263752 1068031166 /nfs/dbraw/zinc/03/11/66/1068031166.db2.gz OHWHJTYZZTUPER-OALUTQOASA-N 1 1 484.670 4.387 20 0 JIADMO COc1ccc(CC(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)cc1OC ZINC001353339663 1068042806 /nfs/dbraw/zinc/04/28/06/1068042806.db2.gz IEEPDXXPSOHBCM-UHFFFAOYSA-N 1 1 454.567 4.458 20 0 JIADMO Cc1ccccc1-c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC(C)(C)C(F)(F)F ZINC001492563948 1068047626 /nfs/dbraw/zinc/04/76/26/1068047626.db2.gz RGLUNLPHQYPMEY-SFHVURJKSA-N 1 1 451.537 4.001 20 0 JIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(Br)cccc1Br ZINC001358438509 1068091675 /nfs/dbraw/zinc/09/16/75/1068091675.db2.gz KBLDKFNDVLQULM-SUMWQHHRSA-N 1 1 452.190 4.462 20 0 JIADMO C[C@@H]1Oc2ccccc2N(CCC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1=O ZINC001358478746 1068102097 /nfs/dbraw/zinc/10/20/97/1068102097.db2.gz LOMDOBUQXZKNJJ-GHTZIAJQSA-N 1 1 455.986 4.015 20 0 JIADMO COc1ccc(OCc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300304099 1068153826 /nfs/dbraw/zinc/15/38/26/1068153826.db2.gz FCHDLTRFKLICNI-DBXWQHBBSA-N 1 1 481.563 4.232 20 0 JIADMO COc1ccccc1Nc1nc2sc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc2s1 ZINC000497751196 1068191619 /nfs/dbraw/zinc/19/16/19/1068191619.db2.gz UYCRAVMTJRKMQV-UHFFFAOYSA-N 1 1 485.679 4.398 20 0 JIADMO O=C(NCCc1ccc(OC(F)F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001353503785 1068230309 /nfs/dbraw/zinc/23/03/09/1068230309.db2.gz MHFSAHDQDZJNDC-NHCUHLMSSA-N 1 1 457.546 4.319 20 0 JIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)cc1)C1CC1 ZINC000512617805 1068232224 /nfs/dbraw/zinc/23/22/24/1068232224.db2.gz GMWQTBRDVNZMGH-UHFFFAOYSA-N 1 1 454.372 4.326 20 0 JIADMO C[C@H]1CN(c2ccc(NC(=O)C[NH+]3CCC(Cc4cccc(F)c4F)CC3)cc2)C[C@H](C)O1 ZINC001473544359 1068233666 /nfs/dbraw/zinc/23/36/66/1068233666.db2.gz SCPYKFMHJWRHKF-OALUTQOASA-N 1 1 457.565 4.472 20 0 JIADMO COc1cccc(C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1 ZINC001300332615 1068283726 /nfs/dbraw/zinc/28/37/26/1068283726.db2.gz MLAVBDNEQBRJEG-UHFFFAOYSA-N 1 1 493.700 4.299 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCCc3c[nH]nc3C)CC2)c1 ZINC001300336231 1068311166 /nfs/dbraw/zinc/31/11/66/1068311166.db2.gz ZYOIUIBYDYWNRZ-OAQYLSRUSA-N 1 1 479.673 4.423 20 0 JIADMO Cn1ncc(C(F)(F)F)c1C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC001353558460 1068322526 /nfs/dbraw/zinc/32/25/26/1068322526.db2.gz FJZUDJQKTZYAPR-UHFFFAOYSA-N 1 1 457.500 4.009 20 0 JIADMO C[C@H](CNC(=O)[C@@]1(c2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC001353590585 1068354903 /nfs/dbraw/zinc/35/49/03/1068354903.db2.gz FKGDEWZDHURGCK-SZEHJLNQSA-N 1 1 451.611 4.248 20 0 JIADMO O=C(c1cccc(C[NH2+]Cc2cc(F)ccc2Oc2cncc(Cl)c2)c1)N1CCOCC1 ZINC001474121706 1068356567 /nfs/dbraw/zinc/35/65/67/1068356567.db2.gz FXSFKUNWZMHKEX-UHFFFAOYSA-N 1 1 455.917 4.429 20 0 JIADMO COc1cccc(-c2nnc(N3CC=C(C(C)(C)C)CC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001300360035 1068385338 /nfs/dbraw/zinc/38/53/38/1068385338.db2.gz JVRVVIWCSOWZIK-DEOSSOPVSA-N 1 1 494.684 4.079 20 0 JIADMO Cc1cccc(C(C)C)c1NC(=S)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001200401125 1068393422 /nfs/dbraw/zinc/39/34/22/1068393422.db2.gz ZUPDCNQPNYQIKZ-GIWBLDEGSA-N 1 1 452.672 4.282 20 0 JIADMO COc1cccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001300363167 1068394650 /nfs/dbraw/zinc/39/46/50/1068394650.db2.gz TVDYEQGASHZGJX-HSZRJFAPSA-N 1 1 468.690 4.100 20 0 JIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C2(C(=O)OC(C)(C)C)CC=CC2)c1 ZINC001353644522 1068395555 /nfs/dbraw/zinc/39/55/55/1068395555.db2.gz VUSUVHYDECXNNK-QGZVFWFLSA-N 1 1 459.562 4.255 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C2(C(=O)OC(C)(C)C)CC=CC2)c1 ZINC001353644522 1068395570 /nfs/dbraw/zinc/39/55/70/1068395570.db2.gz VUSUVHYDECXNNK-QGZVFWFLSA-N 1 1 459.562 4.255 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001300378233 1068459697 /nfs/dbraw/zinc/45/96/97/1068459697.db2.gz ZZGKGUAPDQAAOC-WSTZPKSXSA-N 1 1 481.563 4.232 20 0 JIADMO COc1cccc(-c2nnc(N3CC[NH+](Cc4cccs4)CC3)n2C[C@H](OC)C(C)(C)C)c1 ZINC001300387728 1068492866 /nfs/dbraw/zinc/49/28/66/1068492866.db2.gz AAEDLCGGSDHKMA-QFIPXVFZSA-N 1 1 469.655 4.399 20 0 JIADMO Clc1ccc(I)c(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1 ZINC001200459738 1068640259 /nfs/dbraw/zinc/64/02/59/1068640259.db2.gz IZVGIMKJEHHYAD-UHFFFAOYSA-N 1 1 458.727 4.187 20 0 JIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001353845955 1068656625 /nfs/dbraw/zinc/65/66/25/1068656625.db2.gz PTGZWXXJJMCNSB-URXFXBBRSA-N 1 1 451.611 4.245 20 0 JIADMO COc1cccc(CNC(=S)N2CCN(Cc3csc(C)n3)c3[nH+]c(C)ccc3C2)c1OC ZINC001200512296 1068800809 /nfs/dbraw/zinc/80/08/09/1068800809.db2.gz RJWCQJKPYMZMFA-UHFFFAOYSA-N 1 1 483.663 4.069 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](SC)C(C)(C)C ZINC001300474934 1068822232 /nfs/dbraw/zinc/82/22/32/1068822232.db2.gz NWLXFSYJMGHRLO-XQBPLPMBSA-N 1 1 475.703 4.277 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](SC)C(C)(C)C ZINC001300474934 1068822238 /nfs/dbraw/zinc/82/22/38/1068822238.db2.gz NWLXFSYJMGHRLO-XQBPLPMBSA-N 1 1 475.703 4.277 20 0 JIADMO COc1ccccc1-c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300478951 1068830948 /nfs/dbraw/zinc/83/09/48/1068830948.db2.gz NTYXOJNVSGUVCD-IPJJNNNSSA-N 1 1 495.590 4.478 20 0 JIADMO COc1ccccc1-c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300478952 1068830981 /nfs/dbraw/zinc/83/09/81/1068830981.db2.gz NTYXOJNVSGUVCD-JQVVWYNYSA-N 1 1 495.590 4.478 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[C@@H](C(C)C)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300481964 1068837283 /nfs/dbraw/zinc/83/72/83/1068837283.db2.gz STMGNXCKHHVVTJ-QHAWAJNXSA-N 1 1 455.647 4.324 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300490553 1068854603 /nfs/dbraw/zinc/85/46/03/1068854603.db2.gz ILJGEYMMZQJJAH-GOSISDBHSA-N 1 1 495.590 4.358 20 0 JIADMO C=Cc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC001359169282 1068880133 /nfs/dbraw/zinc/88/01/33/1068880133.db2.gz BCXZECVESCIUHA-RDGATRHJSA-N 1 1 478.685 4.393 20 0 JIADMO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001300513520 1068894358 /nfs/dbraw/zinc/89/43/58/1068894358.db2.gz OCXQZAHVRMOPAJ-IBGZPJMESA-N 1 1 494.606 4.149 20 0 JIADMO Cc1ccccc1-c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CCCNC(=O)C(C)C ZINC001492568527 1068906516 /nfs/dbraw/zinc/90/65/16/1068906516.db2.gz PQNSOXRLEYAQSY-NRFANRHFSA-N 1 1 480.682 4.361 20 0 JIADMO COc1ccccc1C[C@@H](C)N(C)c1nnc(C2CCCC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300528233 1068933289 /nfs/dbraw/zinc/93/32/89/1068933289.db2.gz CPZFUWBPCYKHQV-QPPBQGQZSA-N 1 1 469.674 4.369 20 0 JIADMO COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001354156959 1068937179 /nfs/dbraw/zinc/93/71/79/1068937179.db2.gz PHRFGEWRNZFABR-FNZWTVRRSA-N 1 1 458.558 4.160 20 0 JIADMO COC(=O)c1ccccc1-c1ccccc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001354156959 1068937192 /nfs/dbraw/zinc/93/71/92/1068937192.db2.gz PHRFGEWRNZFABR-FNZWTVRRSA-N 1 1 458.558 4.160 20 0 JIADMO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc(Br)c1OC ZINC001354209741 1068979803 /nfs/dbraw/zinc/97/98/03/1068979803.db2.gz KLAYEPVSAVQCKA-FZKQIMNGSA-N 1 1 453.402 4.341 20 0 JIADMO C[N@H+]1CCC[C@H](CNC(=O)c2cnnn2-c2cccc(Cl)c2Cl)[C@H]1c1cccs1 ZINC001354210053 1068980536 /nfs/dbraw/zinc/98/05/36/1068980536.db2.gz NIUZRZJIODGNJD-YJYMSZOUSA-N 1 1 450.395 4.449 20 0 JIADMO Cc1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1S(=O)(=O)N1CCCCCC1 ZINC001354226171 1069001072 /nfs/dbraw/zinc/00/10/72/1069001072.db2.gz DJFLHDQNSVROBN-QFIPXVFZSA-N 1 1 455.624 4.020 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC=C(Br)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001300564460 1069046892 /nfs/dbraw/zinc/04/68/92/1069046892.db2.gz QRUIYANHEFPYRS-OAQYLSRUSA-N 1 1 488.474 4.487 20 0 JIADMO CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849488334 1069053678 /nfs/dbraw/zinc/05/36/78/1069053678.db2.gz RNPDYTZFNCMKBJ-XZOQPEGZSA-N 1 1 474.634 4.028 20 0 JIADMO COc1cc(CNC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OCc1ccccc1 ZINC000849486654 1069053689 /nfs/dbraw/zinc/05/36/89/1069053689.db2.gz LLNACJMSEUYEJV-RPBOFIJWSA-N 1 1 476.621 4.138 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cn1 ZINC000849487893 1069053698 /nfs/dbraw/zinc/05/36/98/1069053698.db2.gz AYLRZVHURWLSHM-IRXDYDNUSA-N 1 1 464.422 4.448 20 0 JIADMO CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849486656 1069053851 /nfs/dbraw/zinc/05/38/51/1069053851.db2.gz LLTSPUBMJGXXJG-GOTSBHOMSA-N 1 1 482.650 4.153 20 0 JIADMO Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849492399 1069058527 /nfs/dbraw/zinc/05/85/27/1069058527.db2.gz FAZGJGHCFOUQLQ-GOTSBHOMSA-N 1 1 475.641 4.166 20 0 JIADMO COc1cc(CCC2CCN(C(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CC2)cc(OC)c1 ZINC000849490831 1069058533 /nfs/dbraw/zinc/05/85/33/1069058533.db2.gz KTZFRKDWFOABKB-KAYWLYCHSA-N 1 1 482.669 4.123 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849491988 1069059554 /nfs/dbraw/zinc/05/95/54/1069059554.db2.gz BKIYPVZVPFIFJV-GTQSFZMJSA-N 1 1 468.671 4.192 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849491535 1069060267 /nfs/dbraw/zinc/06/02/67/1069060267.db2.gz YXFBKLFNQVMCKY-DQEYMECFSA-N 1 1 450.558 4.482 20 0 JIADMO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1(c2cccc(Br)c2)CCCC1 ZINC001300567489 1069061366 /nfs/dbraw/zinc/06/13/66/1069061366.db2.gz SPIGGXBPOFINMR-JOCHJYFZSA-N 1 1 457.412 4.144 20 0 JIADMO Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849494307 1069063846 /nfs/dbraw/zinc/06/38/46/1069063846.db2.gz SPBICADWPOJCPG-UKILVPOCSA-N 1 1 473.621 4.111 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849494987 1069065867 /nfs/dbraw/zinc/06/58/67/1069065867.db2.gz ZNUSYOBTUZZUFO-IAGOWNOFSA-N 1 1 458.912 4.467 20 0 JIADMO COc1ccc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1NC(=O)OC(C)(C)C ZINC000849497410 1069068622 /nfs/dbraw/zinc/06/86/22/1069068622.db2.gz NXPQDUKOTUTZAP-UXHICEINSA-N 1 1 471.602 4.228 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2cc(Br)ccc2F)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849497812 1069069711 /nfs/dbraw/zinc/06/97/11/1069069711.db2.gz QPHIRRXFLFYLEB-SFTDATJTSA-N 1 1 477.422 4.327 20 0 JIADMO Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4CC[N@H+](C(C)C)C[C@@H]4c4cnn(C)c4)cc3)nc12 ZINC000849498521 1069070466 /nfs/dbraw/zinc/07/04/66/1069070466.db2.gz AULXXNYQLCAHKN-DNQXCXABSA-N 1 1 456.594 4.496 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)cn1 ZINC000849498876 1069070474 /nfs/dbraw/zinc/07/04/74/1069070474.db2.gz BJJMYYZKHCJINN-VXNXHJTFSA-N 1 1 498.096 4.086 20 0 JIADMO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849500128 1069072266 /nfs/dbraw/zinc/07/22/66/1069072266.db2.gz GPSGSVKXEJRZFD-ZEQRLZLVSA-N 1 1 459.594 4.433 20 0 JIADMO COc1ccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1NC(=O)c1cccc(F)c1 ZINC000849501312 1069073082 /nfs/dbraw/zinc/07/30/82/1069073082.db2.gz UPMOPXOLRNNTMP-XZOQPEGZSA-N 1 1 493.583 4.273 20 0 JIADMO COc1cccc(Cc2nnc(NC(=O)NCc3ccc(-n4cc[nH+]c4C)c(F)c3)s2)c1 ZINC000504151956 1069076520 /nfs/dbraw/zinc/07/65/20/1069076520.db2.gz KQPGHIBSGCTBDT-UHFFFAOYSA-N 1 1 452.515 4.092 20 0 JIADMO 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 1069079492 /nfs/dbraw/zinc/07/94/92/1069079492.db2.gz YAAKRTSLGZJCCM-IAGOWNOFSA-N 1 1 481.519 4.460 20 0 JIADMO 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 1069079574 /nfs/dbraw/zinc/07/95/74/1069079574.db2.gz YAVPFBUUIYPRAG-VJGNERBWSA-N 1 1 494.680 4.210 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849504258 1069081264 /nfs/dbraw/zinc/08/12/64/1069081264.db2.gz BSWZGHKSIGMCES-DHIUTWEWSA-N 1 1 457.018 4.009 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849504259 1069081327 /nfs/dbraw/zinc/08/13/27/1069081327.db2.gz BSWZGHKSIGMCES-GOTSBHOMSA-N 1 1 457.018 4.009 20 0 JIADMO Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849504892 1069083184 /nfs/dbraw/zinc/08/31/84/1069083184.db2.gz GEZKOODYCWDACR-PKTZIBPZSA-N 1 1 459.594 4.433 20 0 JIADMO CN(C(=O)c1ccc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cc1Cl)C1CCCCC1 ZINC000849506162 1069085377 /nfs/dbraw/zinc/08/53/77/1069085377.db2.gz VBMGPLRPSHJXQR-UNMCSNQZSA-N 1 1 472.033 4.152 20 0 JIADMO Cc1ccc(C(=O)Nc2cccc(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)cc1 ZINC000849505951 1069086197 /nfs/dbraw/zinc/08/61/97/1069086197.db2.gz KRHQLONKQASURM-UIOOFZCWSA-N 1 1 473.621 4.111 20 0 JIADMO 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 1069086289 /nfs/dbraw/zinc/08/62/89/1069086289.db2.gz LBBSNSGKUIKPEG-FCHUYYIVSA-N 1 1 480.575 4.451 20 0 JIADMO Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849507232 1069087027 /nfs/dbraw/zinc/08/70/27/1069087027.db2.gz PPUBVQMDQYZYNS-NOZRDPDXSA-N 1 1 462.642 4.004 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)[C@H](c2cnn(C)c2)C1 ZINC000849505770 1069087272 /nfs/dbraw/zinc/08/72/72/1069087272.db2.gz JKLWGWQVDDWFQU-HKBOAZHASA-N 1 1 461.006 4.084 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849508178 1069088980 /nfs/dbraw/zinc/08/89/80/1069088980.db2.gz SQWWLOHDSHRDDC-DHIUTWEWSA-N 1 1 492.586 4.117 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849507913 1069089811 /nfs/dbraw/zinc/08/98/11/1069089811.db2.gz RSAMHBCGZQCDED-RPWUZVMVSA-N 1 1 452.549 4.418 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cn1 ZINC000849508630 1069090700 /nfs/dbraw/zinc/09/07/00/1069090700.db2.gz AHPGOSVECDCTTK-CTNGQTDRSA-N 1 1 485.510 4.365 20 0 JIADMO 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 1069092971 /nfs/dbraw/zinc/09/29/71/1069092971.db2.gz YGYCFNCCDPUZHJ-DQLDELGASA-N 1 1 452.521 4.053 20 0 JIADMO COc1ccc(C2(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CCCCC2)cc1 ZINC000849511027 1069094806 /nfs/dbraw/zinc/09/48/06/1069094806.db2.gz WRZLRSOEPDUMEG-LOSJGSFVSA-N 1 1 452.643 4.261 20 0 JIADMO COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849512216 1069095188 /nfs/dbraw/zinc/09/51/88/1069095188.db2.gz BIJFNJDFTNQVGG-RMUDUWAUSA-N 1 1 460.622 4.124 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849511710 1069096612 /nfs/dbraw/zinc/09/66/12/1069096612.db2.gz SUKCPAIBVIPMFC-JWQCQUIFSA-N 1 1 465.642 4.069 20 0 JIADMO 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 1069102211 /nfs/dbraw/zinc/10/22/11/1069102211.db2.gz ZXCNVFOOFRLJLX-PUHATCMVSA-N 1 1 459.631 4.026 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC(C)(C)Cc2ccc(Br)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849517396 1069102609 /nfs/dbraw/zinc/10/26/09/1069102609.db2.gz NKMONDQTDSWGLL-NHCUHLMSSA-N 1 1 461.448 4.134 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849516634 1069104072 /nfs/dbraw/zinc/10/40/72/1069104072.db2.gz LDYQWBLUMMTAQC-FTJBHMTQSA-N 1 1 457.622 4.435 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cn1 ZINC000849516691 1069104376 /nfs/dbraw/zinc/10/43/76/1069104376.db2.gz ABPCVSXYEXCAQT-VXKWHMMOSA-N 1 1 485.510 4.365 20 0 JIADMO Cc1ccc(COc2ccc(C[C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)cc2)cc1 ZINC000849516670 1069104418 /nfs/dbraw/zinc/10/44/18/1069104418.db2.gz LTRNWKUKTISSNM-KWTBFXGESA-N 1 1 460.622 4.090 20 0 JIADMO Cc1ccccc1-n1nc(-c2ccccc2)cc1NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849517849 1069106651 /nfs/dbraw/zinc/10/66/51/1069106651.db2.gz PIPMYIZILGYNCM-DHIUTWEWSA-N 1 1 454.578 4.255 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849517501 1069107967 /nfs/dbraw/zinc/10/79/67/1069107967.db2.gz CYMGCXPNLOGRKJ-DHIUTWEWSA-N 1 1 481.641 4.018 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518813 1069108754 /nfs/dbraw/zinc/10/87/54/1069108754.db2.gz HMNUVKLNCACKFE-FGZHOGPDSA-N 1 1 452.580 4.153 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518635 1069111128 /nfs/dbraw/zinc/11/11/28/1069111128.db2.gz SGTHKYLCTRWBNK-SFTDATJTSA-N 1 1 474.531 4.136 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)cn1 ZINC000849520095 1069111757 /nfs/dbraw/zinc/11/17/57/1069111757.db2.gz XRWZTLPVBKJHAA-VQTJNVASSA-N 1 1 455.006 4.231 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cn1 ZINC000849521810 1069115177 /nfs/dbraw/zinc/11/51/77/1069115177.db2.gz VHYKHDOOADURSZ-LEWJYISDSA-N 1 1 464.532 4.325 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccccc2NC(=O)Cc2cccs2)[C@H](c2cnn(C)c2)C1 ZINC000849522905 1069115724 /nfs/dbraw/zinc/11/57/24/1069115724.db2.gz QAOHSWPPEINELS-SFTDATJTSA-N 1 1 465.623 4.115 20 0 JIADMO C[NH+](C)[C@H](CNC(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccco1 ZINC001354338965 1069122529 /nfs/dbraw/zinc/12/25/29/1069122529.db2.gz IPURGALBJVXRAG-OAHLLOKOSA-N 1 1 454.367 4.195 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849529795 1069133161 /nfs/dbraw/zinc/13/31/61/1069133161.db2.gz KBSWCAGNNWTEJG-NHCUHLMSSA-N 1 1 457.688 4.394 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849529797 1069133839 /nfs/dbraw/zinc/13/38/39/1069133839.db2.gz KBSWCAGNNWTEJG-SFTDATJTSA-N 1 1 457.688 4.394 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)[C@@H](c2cnn(C)c2)C1 ZINC000849547166 1069183922 /nfs/dbraw/zinc/18/39/22/1069183922.db2.gz FVTQMRCKSYVAEN-XZOQPEGZSA-N 1 1 481.641 4.166 20 0 JIADMO COc1ccccc1CN(C[C@@H]1CCCO1)c1nnc(C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300600198 1069185967 /nfs/dbraw/zinc/18/59/67/1069185967.db2.gz VRAPZFOVWCVVHV-VWNXMTODSA-N 1 1 455.647 4.149 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(C)CCOc2ccc(OCc3ccccc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849546627 1069186113 /nfs/dbraw/zinc/18/61/13/1069186113.db2.gz CQGLJBPGDHSDAV-WUFINQPMSA-N 1 1 490.648 4.350 20 0 JIADMO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1C ZINC000849547555 1069187266 /nfs/dbraw/zinc/18/72/66/1069187266.db2.gz GJHSGHQSHNIGCV-FGZHOGPDSA-N 1 1 499.457 4.438 20 0 JIADMO 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 1069190967 /nfs/dbraw/zinc/19/09/67/1069190967.db2.gz AKMLIPOPTSEZCV-NMNUPHIUSA-N 1 1 469.630 4.458 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCc2ccc(Br)cc2Oc2ccccc2)cn1 ZINC000849550510 1069192024 /nfs/dbraw/zinc/19/20/24/1069192024.db2.gz XZNFTYUETWWTPT-FCHUYYIVSA-N 1 1 483.410 4.327 20 0 JIADMO COc1ccccc1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849551957 1069193308 /nfs/dbraw/zinc/19/33/08/1069193308.db2.gz LRJHEWIZJROEDX-UTSGNWPNSA-N 1 1 452.986 4.023 20 0 JIADMO CSc1cccc([C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccc(F)c(F)c2)c1 ZINC000849553363 1069195092 /nfs/dbraw/zinc/19/50/92/1069195092.db2.gz JDNAUUMYGYIQCO-HFMPRLQTSA-N 1 1 470.589 4.361 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)cn1 ZINC000849554168 1069197219 /nfs/dbraw/zinc/19/72/19/1069197219.db2.gz UZLSIKRBZZAAPQ-WOJBJXKFSA-N 1 1 458.488 4.252 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC2(c3cccc(Br)c3)CCCCC2)cn1 ZINC000849554020 1069198481 /nfs/dbraw/zinc/19/84/81/1069198481.db2.gz LFHBPTNJBBMLMA-YADHBBJMSA-N 1 1 473.459 4.236 20 0 JIADMO COc1ccccc1-n1c2ccccc2nc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849556106 1069201815 /nfs/dbraw/zinc/20/18/15/1069201815.db2.gz VMBZHNCQPZTUCP-RTWAWAEBSA-N 1 1 472.593 4.220 20 0 JIADMO 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 1069204651 /nfs/dbraw/zinc/20/46/51/1069204651.db2.gz MXLSAHNLJSTTHZ-ZSQFBXSQSA-N 1 1 499.659 4.450 20 0 JIADMO COc1cccc(C(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2cccc(OC)c2)c1 ZINC000849557832 1069204823 /nfs/dbraw/zinc/20/48/23/1069204823.db2.gz KAZOHRCKWMRVJY-CLJLJLNGSA-N 1 1 476.621 4.157 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849562359 1069210175 /nfs/dbraw/zinc/21/01/75/1069210175.db2.gz NLJOOVXBNOZYLC-IRXDYDNUSA-N 1 1 475.367 4.459 20 0 JIADMO COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849560956 1069210307 /nfs/dbraw/zinc/21/03/07/1069210307.db2.gz CLABSGLRVNVNHK-BJKOFHAPSA-N 1 1 490.604 4.238 20 0 JIADMO 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 1069212000 /nfs/dbraw/zinc/21/20/00/1069212000.db2.gz PPMBMACMYIVNMG-VXNXHJTFSA-N 1 1 454.659 4.461 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849564329 1069213052 /nfs/dbraw/zinc/21/30/52/1069213052.db2.gz USXTUBIPLQTGQZ-DNQXCXABSA-N 1 1 489.705 4.310 20 0 JIADMO CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)C(C)C ZINC000849565290 1069215313 /nfs/dbraw/zinc/21/53/13/1069215313.db2.gz SRHLYRBXLBIAHO-GMAHTHKFSA-N 1 1 453.631 4.133 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC(Cc2ccccc2F)Cc2ccccc2F)[C@H](c2cnn(C)c2)C1 ZINC000849565344 1069215573 /nfs/dbraw/zinc/21/55/73/1069215573.db2.gz SVWJTXSHKZUQDB-DQEYMECFSA-N 1 1 480.603 4.482 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849565948 1069216415 /nfs/dbraw/zinc/21/64/15/1069216415.db2.gz XOOWPSUBCVRJLC-LEWJYISDSA-N 1 1 499.413 4.218 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)[C@H](c2cnn(C)c2)C1 ZINC000849567371 1069217983 /nfs/dbraw/zinc/21/79/83/1069217983.db2.gz GTNIICMPHAVXCF-BVSLBCMMSA-N 1 1 459.034 4.205 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cn1 ZINC000849568410 1069219605 /nfs/dbraw/zinc/21/96/05/1069219605.db2.gz NYNKAVNSVIVIPJ-GMQQYTKMSA-N 1 1 492.067 4.043 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)cn1 ZINC000849569678 1069220906 /nfs/dbraw/zinc/22/09/06/1069220906.db2.gz VPGIMNTWPIGKIV-LEWJYISDSA-N 1 1 476.968 4.483 20 0 JIADMO CCc1noc(-c2ccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c(Cl)c2)n1 ZINC000849571873 1069223629 /nfs/dbraw/zinc/22/36/29/1069223629.db2.gz JBENINGBMIWTDP-QZTJIDSGSA-N 1 1 456.978 4.139 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCSC(C)C)CC1 ZINC001300614654 1069226047 /nfs/dbraw/zinc/22/60/47/1069226047.db2.gz IDMQHWZAESPWNE-UHFFFAOYSA-N 1 1 455.628 4.319 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001300614668 1069226104 /nfs/dbraw/zinc/22/61/04/1069226104.db2.gz ILBSBONBAMDREW-UHFFFAOYSA-N 1 1 498.672 4.180 20 0 JIADMO CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849574813 1069228309 /nfs/dbraw/zinc/22/83/09/1069228309.db2.gz AFTQRTYGVWIDEK-FSSWDIPSSA-N 1 1 475.475 4.476 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)C)n2Cc2cccc(Br)n2)CC1 ZINC001300615552 1069229348 /nfs/dbraw/zinc/22/93/48/1069229348.db2.gz VDWWZONGWAWGQL-UHFFFAOYSA-N 1 1 499.457 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cc(Br)ccc2Br)[C@H](c2cnn(C)c2)C1 ZINC000849579633 1069231759 /nfs/dbraw/zinc/23/17/59/1069231759.db2.gz XVZLERUDAACZMF-MSOLQXFVSA-N 1 1 498.263 4.075 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)cn1 ZINC000849579616 1069231966 /nfs/dbraw/zinc/23/19/66/1069231966.db2.gz XQWOWMHFZCSYFH-PWRODBHTSA-N 1 1 463.395 4.015 20 0 JIADMO CCc1c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1cccc(Cl)c1 ZINC000849582499 1069233074 /nfs/dbraw/zinc/23/30/74/1069233074.db2.gz NLRKRVZHZGFBQN-RTWAWAEBSA-N 1 1 455.006 4.274 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC3(CCC3)c3cc(Br)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849583930 1069234820 /nfs/dbraw/zinc/23/48/20/1069234820.db2.gz VJECJCQSHJJOGN-VQTJNVASSA-N 1 1 471.443 4.465 20 0 JIADMO 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 1069238112 /nfs/dbraw/zinc/23/81/12/1069238112.db2.gz QFDRGPHXBDPAHF-LEAZDLGRSA-N 1 1 477.422 4.198 20 0 JIADMO Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1Oc1ncccc1Br ZINC000849587394 1069238579 /nfs/dbraw/zinc/23/85/79/1069238579.db2.gz IDRYXRKDBKYBJK-RTBURBONSA-N 1 1 484.398 4.352 20 0 JIADMO COc1ccc(CN(CC2CCC2)C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c(OC)c1 ZINC000849588083 1069239657 /nfs/dbraw/zinc/23/96/57/1069239657.db2.gz PIOAOEUVIPNJBA-RPBOFIJWSA-N 1 1 468.642 4.080 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849590389 1069241097 /nfs/dbraw/zinc/24/10/97/1069241097.db2.gz YHYKDWHGTSVXOH-VQTJNVASSA-N 1 1 488.474 4.258 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](C)c2ccc(Br)cc2F)[C@H](c2cnn(C)c2)C1 ZINC000849590861 1069242824 /nfs/dbraw/zinc/24/28/24/1069242824.db2.gz ANBWYZHTCCPCNM-JVPBZIDWSA-N 1 1 451.384 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(F)c(Br)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849592204 1069244972 /nfs/dbraw/zinc/24/49/72/1069244972.db2.gz KERUOGCBQGFBGI-LSDHHAIUSA-N 1 1 457.775 4.428 20 0 JIADMO 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 1069246479 /nfs/dbraw/zinc/24/64/79/1069246479.db2.gz DIJYBFHWBNPBEA-BRKWEVRTSA-N 1 1 459.432 4.059 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)c3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849595504 1069247328 /nfs/dbraw/zinc/24/73/28/1069247328.db2.gz XXWXXSLPOJVUBJ-SFTDATJTSA-N 1 1 467.614 4.022 20 0 JIADMO 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 1069248503 /nfs/dbraw/zinc/24/85/03/1069248503.db2.gz LQHPQSWSMNRWPM-WBAXXEDZSA-N 1 1 451.384 4.013 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2nc3ccc(Cl)cc3n2Cc2ccccc2)cn1 ZINC000849595837 1069249859 /nfs/dbraw/zinc/24/98/59/1069249859.db2.gz JICKYDOYZBOWFW-LEWJYISDSA-N 1 1 462.985 4.146 20 0 JIADMO 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 1069250013 /nfs/dbraw/zinc/25/00/13/1069250013.db2.gz KWQSIBKHGPDFIL-ZJOUEHCJSA-N 1 1 450.549 4.248 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849596865 1069253188 /nfs/dbraw/zinc/25/31/88/1069253188.db2.gz PWRYIKWBJPCAFB-CZTZKLFOSA-N 1 1 473.459 4.436 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)[C@H](c2cnn(C)c2)C1 ZINC000849598023 1069253975 /nfs/dbraw/zinc/25/39/75/1069253975.db2.gz WWZYYRGOQJYTNM-UIOOFZCWSA-N 1 1 485.632 4.005 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC2(c3ccccc3Br)CCCCC2)cn1 ZINC000849599234 1069255052 /nfs/dbraw/zinc/25/50/52/1069255052.db2.gz MBXVGTZYAVSTFG-PMACEKPBSA-N 1 1 473.459 4.236 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC2(c3ccccc3Br)CCCCC2)cn1 ZINC000849599235 1069255240 /nfs/dbraw/zinc/25/52/40/1069255240.db2.gz MBXVGTZYAVSTFG-UXHICEINSA-N 1 1 473.459 4.236 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849601419 1069256885 /nfs/dbraw/zinc/25/68/85/1069256885.db2.gz VKGXWJQTGAEEPQ-DNQXCXABSA-N 1 1 495.668 4.238 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(Cc3nc4ccccc4[nH]3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849603790 1069261132 /nfs/dbraw/zinc/26/11/32/1069261132.db2.gz GXDUPQSOGNBZFC-DHIUTWEWSA-N 1 1 456.594 4.340 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849604590 1069261311 /nfs/dbraw/zinc/26/13/11/1069261311.db2.gz DHSAHHZBMOVFMJ-FGZHOGPDSA-N 1 1 478.559 4.371 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Cl)c(I)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849605921 1069262799 /nfs/dbraw/zinc/26/27/99/1069262799.db2.gz KMBLWAIIQTZIES-HZPDHXFCSA-N 1 1 486.785 4.131 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(COc3cccc(F)c3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849607357 1069263220 /nfs/dbraw/zinc/26/32/20/1069263220.db2.gz VCNGJDVAOUKPDE-CLJLJLNGSA-N 1 1 464.585 4.269 20 0 JIADMO COc1ccc(Br)c2sc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)nc21 ZINC000849607285 1069263512 /nfs/dbraw/zinc/26/35/12/1069263512.db2.gz HUOZTUMXAWTJAU-LSDHHAIUSA-N 1 1 492.443 4.254 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(CCc3ccc(F)cc3F)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849605750 1069263644 /nfs/dbraw/zinc/26/36/44/1069263644.db2.gz JMFHADRROXAEOI-RPWUZVMVSA-N 1 1 458.597 4.384 20 0 JIADMO COc1ccc(Br)c2sc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)nc21 ZINC000849607283 1069263764 /nfs/dbraw/zinc/26/37/64/1069263764.db2.gz HUOZTUMXAWTJAU-GJZGRUSLSA-N 1 1 492.443 4.254 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)cn1 ZINC000849610498 1069266965 /nfs/dbraw/zinc/26/69/65/1069266965.db2.gz JSRQLYAPNFZGGD-IEIRFRATSA-N 1 1 455.027 4.345 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc(-c3sccc3Br)cs2)cn1 ZINC000849611275 1069268721 /nfs/dbraw/zinc/26/87/21/1069268721.db2.gz VXXLOHLBTHVZOK-OLZOCXBDSA-N 1 1 466.430 4.042 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)CCc2nccs2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001492577433 1069280599 /nfs/dbraw/zinc/28/05/99/1069280599.db2.gz QVBSZSZZGWHMBV-NRFANRHFSA-N 1 1 452.672 4.433 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC(C(F)(F)F)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001300637718 1069295320 /nfs/dbraw/zinc/29/53/20/1069295320.db2.gz SZXPUVYDXDPWDC-KRWDZBQOSA-N 1 1 467.536 4.129 20 0 JIADMO COc1ccc(Cn2cc3[nH]c(N4CCC[C@H]5C[N@@H+](Cc6ccccc6)C[C@@H]54)ccc-3c2=O)cc1 ZINC001164629029 719095348 /nfs/dbraw/zinc/09/53/48/719095348.db2.gz QBAMQMROZKCRQZ-HOFKKMOUSA-N 1 1 468.601 4.347 20 0 JIADMO COc1ccc(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)c(OC)c1OC ZINC001164628023 719105697 /nfs/dbraw/zinc/10/56/97/719105697.db2.gz LVCMJQTWHGGTTE-OFNKIYASSA-N 1 1 460.578 4.270 20 0 JIADMO C[NH+]1CCN(c2nccc(N3CCC(O[C@@H](c4ccc(Cl)cc4)c4ccccn4)CC3)n2)CC1 ZINC001164618985 719130885 /nfs/dbraw/zinc/13/08/85/719130885.db2.gz BEDATZSQKZFUBZ-VWLOTQADSA-N 1 1 479.028 4.052 20 0 JIADMO C[C@@H]1CN(c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cn2)[C@@H](C)C[N@H+]1C ZINC001164643590 719235552 /nfs/dbraw/zinc/23/55/52/719235552.db2.gz ZKSWTFVBNIJRHM-YADHBBJMSA-N 1 1 464.635 4.002 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@H]43)c2c1C ZINC001164656136 719294523 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COC(=O)C[C@H](c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1)C1CC1 ZINC001164697733 719897744 /nfs/dbraw/zinc/89/77/44/719897744.db2.gz OVTJCYQHPSSXFH-QFIPXVFZSA-N 1 1 455.624 4.071 20 0 JIADMO c1csc(C[N@H+]2CCOC3(CCN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC3)C2)c1 ZINC001164706631 719899517 /nfs/dbraw/zinc/89/95/17/719899517.db2.gz JKECTBRWFKEYRJ-UHFFFAOYSA-N 1 1 478.618 4.238 20 0 JIADMO COc1ccc(OC)c(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)c1 ZINC001164707737 719901484 /nfs/dbraw/zinc/90/14/84/719901484.db2.gz WXXVZOZDGVDEHX-UHFFFAOYSA-N 1 1 466.607 4.094 20 0 JIADMO Cc1cc(OCc2ccccc2)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164707686 719902656 /nfs/dbraw/zinc/90/26/56/719902656.db2.gz UVRFUJDWURHNON-UHFFFAOYSA-N 1 1 450.608 4.297 20 0 JIADMO Cc1cc(OCc2ccccc2)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164707686 719902670 /nfs/dbraw/zinc/90/26/70/719902670.db2.gz UVRFUJDWURHNON-UHFFFAOYSA-N 1 1 450.608 4.297 20 0 JIADMO 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Fc1cccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164750527 720920486 /nfs/dbraw/zinc/92/04/86/720920486.db2.gz JTGZRJKRFKJNOK-UFHPHHKVSA-N 1 1 473.596 4.433 20 0 JIADMO FC(F)(Oc1ccnc(Cl)c1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753648 720932412 /nfs/dbraw/zinc/93/24/12/720932412.db2.gz RWHNUOZRYXMDSF-OFNKIYASSA-N 1 1 478.971 4.310 20 0 JIADMO Clc1cc(-c2ccncc2)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755252 720935262 /nfs/dbraw/zinc/93/52/62/720935262.db2.gz ZZATYIJHMKLYAP-HOFKKMOUSA-N 1 1 491.039 4.342 20 0 JIADMO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164868169 721067787 /nfs/dbraw/zinc/06/77/87/721067787.db2.gz NKMMXBYWTVGCTL-RTWAWAEBSA-N 1 1 473.527 4.450 20 0 JIADMO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164862780 721095536 /nfs/dbraw/zinc/09/55/36/721095536.db2.gz AIIHLUMGMCOPQI-IAGOWNOFSA-N 1 1 480.346 4.356 20 0 JIADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870262 721136763 /nfs/dbraw/zinc/13/67/63/721136763.db2.gz CDKLKUNOQCUHNJ-KBPBESRZSA-N 1 1 463.743 4.461 20 0 JIADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164877034 721144924 /nfs/dbraw/zinc/14/49/24/721144924.db2.gz OETRALBQHGDDIX-FGZHOGPDSA-N 1 1 480.682 4.025 20 0 JIADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880692 721149013 /nfs/dbraw/zinc/14/90/13/721149013.db2.gz XCRGIUOBYSXGQX-VQTJNVASSA-N 1 1 471.939 4.217 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164765695 721160487 /nfs/dbraw/zinc/16/04/87/721160487.db2.gz KCNIEELVUDJVSR-OALUTQOASA-N 1 1 458.944 4.034 20 0 JIADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164878905 721164454 /nfs/dbraw/zinc/16/44/54/721164454.db2.gz QUMZKRQGZHYUGH-FCHUYYIVSA-N 1 1 487.629 4.379 20 0 JIADMO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879141 721176316 /nfs/dbraw/zinc/17/63/16/721176316.db2.gz RXNLUDLJNJCTCM-LSDHHAIUSA-N 1 1 462.850 4.173 20 0 JIADMO Clc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164878631 721184881 /nfs/dbraw/zinc/18/48/81/721184881.db2.gz QTNPKABRCYXMFK-QUCCMNQESA-N 1 1 472.376 4.450 20 0 JIADMO Fc1ccccc1-c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)nn1 ZINC001164868489 721192354 /nfs/dbraw/zinc/19/23/54/721192354.db2.gz NCGODPSSRPNVBH-ROUUACIJSA-N 1 1 489.929 4.356 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(-c5ccc(Cl)nn5)cc4)C[C@@H]3C2)cn1 ZINC001164772846 721205859 /nfs/dbraw/zinc/20/58/59/721205859.db2.gz VMYLHVRPPZTHLX-MOPGFXCFSA-N 1 1 458.944 4.034 20 0 JIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(C[C@H](COC)N(C(=O)c4cccn4C)C3)CC2)nc1 ZINC001164870130 721224988 /nfs/dbraw/zinc/22/49/88/721224988.db2.gz FRSBNYLCDGNVAP-RPWUZVMVSA-N 1 1 479.669 4.115 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C[C@H]3C2)cn1 ZINC001164770957 721226227 /nfs/dbraw/zinc/22/62/27/721226227.db2.gz PIZNXGHKXPZWMT-RTBURBONSA-N 1 1 458.944 4.034 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@H]43)c2c1C ZINC001164875189 721314200 /nfs/dbraw/zinc/31/42/00/721314200.db2.gz CMSHDKVZVFFSCP-PWRODBHTSA-N 1 1 479.650 4.362 20 0 JIADMO COc1cc2c(cc1Cl)ncnc2N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164779382 721351491 /nfs/dbraw/zinc/35/14/91/721351491.db2.gz SVRXYQFACWAIHU-XMMPIXPASA-N 1 1 471.989 4.016 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164787037 721362057 /nfs/dbraw/zinc/36/20/57/721362057.db2.gz XPHVRCNRCXYRAF-VWLOTQADSA-N 1 1 467.545 4.132 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(Oc4cccc(F)c4)n3)C2)C1 ZINC001164787037 721362064 /nfs/dbraw/zinc/36/20/64/721362064.db2.gz XPHVRCNRCXYRAF-VWLOTQADSA-N 1 1 467.545 4.132 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(NC(=O)OC(C)(C)C)cn3)C2)C1 ZINC001164785220 721364357 /nfs/dbraw/zinc/36/43/57/721364357.db2.gz SPBKMOBERWIJRJ-RUZDIDTESA-N 1 1 471.602 4.152 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(Oc4ccc(F)cc4)n3)C2)C1 ZINC001164782249 721369051 /nfs/dbraw/zinc/36/90/51/721369051.db2.gz LOONMWUYLXIZKI-RUZDIDTESA-N 1 1 467.545 4.132 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc(Oc4ccc(F)cc4)n3)C2)C1 ZINC001164782249 721369054 /nfs/dbraw/zinc/36/90/54/721369054.db2.gz LOONMWUYLXIZKI-RUZDIDTESA-N 1 1 467.545 4.132 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4cccs4)n3)C2)C1 ZINC001164782957 721369595 /nfs/dbraw/zinc/36/95/95/721369595.db2.gz OCAIDKNSCWZAHD-DEOSSOPVSA-N 1 1 453.612 4.237 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4cccs4)n3)C2)C1 ZINC001164782957 721369596 /nfs/dbraw/zinc/36/95/96/721369596.db2.gz OCAIDKNSCWZAHD-DEOSSOPVSA-N 1 1 453.612 4.237 20 0 JIADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCO[C@]4(CCC[C@@H]4COCc4ccncc4)C3)C2)cc1 ZINC001164781406 721384333 /nfs/dbraw/zinc/38/43/33/721384333.db2.gz JOODKEHVBAESGO-VAVYLYDRSA-N 1 1 485.632 4.022 20 0 JIADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@]4(CCC[C@@H]4COCc4ccncc4)C3)C2)cc1 ZINC001164781406 721384337 /nfs/dbraw/zinc/38/43/37/721384337.db2.gz JOODKEHVBAESGO-VAVYLYDRSA-N 1 1 485.632 4.022 20 0 JIADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891337 721422760 /nfs/dbraw/zinc/42/27/60/721422760.db2.gz VKFFSZVVOCWWDD-OSPHWJPCSA-N 1 1 479.452 4.316 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cccc5c(Cl)nccc54)C3)O2)CC1 ZINC001164897851 721425984 /nfs/dbraw/zinc/42/59/84/721425984.db2.gz UUKFGADQZKPJFH-WZONZLPQSA-N 1 1 464.988 4.199 20 0 JIADMO c1csc(C[NH+]2C[C@@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]3C2)n1 ZINC001164781329 721426622 /nfs/dbraw/zinc/42/66/22/721426622.db2.gz DERNTMJLQSLSPC-QZTJIDSGSA-N 1 1 480.707 4.191 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@@H]5C[NH+](Cc6nccs6)C[C@H]5C4)c23)C1 ZINC001164782746 721427612 /nfs/dbraw/zinc/42/76/12/721427612.db2.gz HRCJPXJKLFXEFU-QYZOEREBSA-N 1 1 494.734 4.437 20 0 JIADMO Cc1sc2ncnc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1-c1ccccc1 ZINC001164893834 721434713 /nfs/dbraw/zinc/43/47/13/721434713.db2.gz KVLNIVIJBSRLFS-CUNXSJBXSA-N 1 1 477.678 4.432 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccc(Cl)s5)nc5c4CCC5)C3)O2)CC1 ZINC001164892261 721442501 /nfs/dbraw/zinc/44/25/01/721442501.db2.gz HUGFBWFDGKQFDF-IQGLISFBSA-N 1 1 488.101 4.113 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccc(Cl)cc4)C3)O2)CC1 ZINC001164885354 721448539 /nfs/dbraw/zinc/44/85/39/721448539.db2.gz DJMGDMTZWOJYCK-GBXCKJPGSA-N 1 1 492.451 4.341 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001164790032 721458378 /nfs/dbraw/zinc/45/83/78/721458378.db2.gz ZBNOTTPSMLWETR-SFHVURJKSA-N 1 1 461.956 4.153 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3cccc(OC)c31)CC2 ZINC001164784997 721461413 /nfs/dbraw/zinc/46/14/13/721461413.db2.gz LEDYAECQHHNEFY-LJQANCHMSA-N 1 1 475.033 4.026 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(C)cc(Cl)n1)CC2 ZINC001164782402 721461850 /nfs/dbraw/zinc/46/18/50/721461850.db2.gz AOWYQZXDPMCDSM-LJQANCHMSA-N 1 1 457.993 4.322 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164789232 721462387 /nfs/dbraw/zinc/46/23/87/721462387.db2.gz VZDZKFMFIYVJJD-FQEVSTJZSA-N 1 1 494.076 4.424 20 0 JIADMO CC(C)C(=O)N1CC[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC[C@H]21 ZINC001164895015 721465261 /nfs/dbraw/zinc/46/52/61/721465261.db2.gz YVSCSAOKJLKEDB-UYAOXDASSA-N 1 1 467.683 4.249 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(-c3cccnc3)nc3ccccc31)CC2 ZINC001164791692 721466915 /nfs/dbraw/zinc/46/69/15/721466915.db2.gz XPPYRTAURCEQOP-XMMPIXPASA-N 1 1 487.648 4.426 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccc(C)cc3)nn1)CC2 ZINC001164788801 721466999 /nfs/dbraw/zinc/46/69/99/721466999.db2.gz LEBONKVWMNQKMY-DEOSSOPVSA-N 1 1 450.627 4.186 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3cc(C)ccc3C)nn1)CC2 ZINC001164790644 721467794 /nfs/dbraw/zinc/46/77/94/721467794.db2.gz TVBZEWJPCTVZMO-DEOSSOPVSA-N 1 1 464.654 4.494 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164788744 721468000 /nfs/dbraw/zinc/46/80/00/721468000.db2.gz JIAVURCNRCHFBN-LJQANCHMSA-N 1 1 485.019 4.286 20 0 JIADMO c1cn2c(n1)CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C[C@H](COCc1ccccn1)C2 ZINC001164893290 721469014 /nfs/dbraw/zinc/46/90/14/721469014.db2.gz SLAFPQHQACNMQT-XMMPIXPASA-N 1 1 480.616 4.085 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3cccc(F)c3)nn1)CC2 ZINC001164791852 721469620 /nfs/dbraw/zinc/46/96/20/721469620.db2.gz ZWYHMHWPODABSU-QHCPKHFHSA-N 1 1 454.590 4.017 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(-c3cccc(F)c3)cc1C)CC2 ZINC001164789476 721471677 /nfs/dbraw/zinc/47/16/77/721471677.db2.gz NDSPRJPNBDUGGD-XMMPIXPASA-N 1 1 468.617 4.325 20 0 JIADMO CCOC[C@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)Cc2cnn(C)c21 ZINC001164791517 721477696 /nfs/dbraw/zinc/47/76/96/721477696.db2.gz JJUSYABPBDHHBN-PKOBYXMFSA-N 1 1 480.682 4.286 20 0 JIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164792604 721491342 /nfs/dbraw/zinc/49/13/42/721491342.db2.gz LBNXJJMIPKEWIW-UHFFFAOYSA-N 1 1 468.649 4.311 20 0 JIADMO COC(=O)c1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c2ccccc2c1OC ZINC001164796337 721502030 /nfs/dbraw/zinc/50/20/30/721502030.db2.gz QLOULSUZFBVSSO-UHFFFAOYSA-N 1 1 460.578 4.306 20 0 JIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)C5)CC[N@H+]3C2)c1 ZINC001164900554 721523386 /nfs/dbraw/zinc/52/33/86/721523386.db2.gz SFZXVEPOKLDPHK-RBBKRZOGSA-N 1 1 479.987 4.127 20 0 JIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccncc5)n4)CC[N@H+]3C2)c1 ZINC001164904304 721551881 /nfs/dbraw/zinc/55/18/81/721551881.db2.gz DVLRZCQKJAGLFX-IEBWSBKVSA-N 1 1 475.902 4.218 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc3ccccc3nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164799633 721564682 /nfs/dbraw/zinc/56/46/82/721564682.db2.gz CZLHQNCSNVNPLI-XUVXKRRUSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc3ccccc3nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164799633 721564687 /nfs/dbraw/zinc/56/46/87/721564687.db2.gz CZLHQNCSNVNPLI-XUVXKRRUSA-N 1 1 459.928 4.091 20 0 JIADMO CN(C)C(=O)[C@H]1CC12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164901117 721570252 /nfs/dbraw/zinc/57/02/52/721570252.db2.gz BZBLODQSSRNZRD-LJQANCHMSA-N 1 1 467.683 4.251 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC5(C[C@@H]5C(=O)N(C)C)CC4)c32)C1 ZINC001164900913 721570722 /nfs/dbraw/zinc/57/07/22/721570722.db2.gz AZMBKQGUIFSOHP-UYAOXDASSA-N 1 1 481.710 4.497 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c(-c4ccccc4)nsc32)[C@H]2CCCO[C@@H]12 ZINC001164805127 721579637 /nfs/dbraw/zinc/57/96/37/721579637.db2.gz KTLDCARAZWLDBM-MIZPHKNDSA-N 1 1 458.591 4.017 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3c(-c4ccccc4)nsc32)[C@H]2CCCO[C@@H]12 ZINC001164805127 721579639 /nfs/dbraw/zinc/57/96/39/721579639.db2.gz KTLDCARAZWLDBM-MIZPHKNDSA-N 1 1 458.591 4.017 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)[C@H]2CCCO[C@H]12 ZINC001164801136 721582061 /nfs/dbraw/zinc/58/20/61/721582061.db2.gz DSFSAKGQXFECNP-JQVVWYNYSA-N 1 1 486.954 4.000 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)[C@H]2CCCO[C@H]12 ZINC001164801136 721582062 /nfs/dbraw/zinc/58/20/62/721582062.db2.gz DSFSAKGQXFECNP-JQVVWYNYSA-N 1 1 486.954 4.000 20 0 JIADMO FC(F)(c1cc(Cl)nc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905536 721584593 /nfs/dbraw/zinc/58/45/93/721584593.db2.gz JRGKFSKAIGYKQZ-QGZVFWFLSA-N 1 1 464.294 4.461 20 0 JIADMO c1nc(COCC2CC2)c2n1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164799592 721600128 /nfs/dbraw/zinc/60/01/28/721600128.db2.gz IQVQTPIVILKDLN-UHFFFAOYSA-N 1 1 478.666 4.309 20 0 JIADMO Cc1nc2c(nc(Cl)nc2N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)s1 ZINC001164908567 721708039 /nfs/dbraw/zinc/70/80/39/721708039.db2.gz YAAUAPBTHHNOQU-LJQANCHMSA-N 1 1 450.946 4.181 20 0 JIADMO FC1(F)CCN(c2nc(Cl)ccc2CN2CCCC2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907637 721710134 /nfs/dbraw/zinc/71/01/34/721710134.db2.gz SFBHYJQOFREGHE-HSZRJFAPSA-N 1 1 461.988 4.464 20 0 JIADMO Cc1nc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(Cl)c1C ZINC001164908078 721713363 /nfs/dbraw/zinc/71/33/63/721713363.db2.gz VFXFBMVNZBBRJC-IBGZPJMESA-N 1 1 457.903 4.424 20 0 JIADMO COC(=O)C[C@H](c1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1)C1CC1 ZINC001164906678 721722165 /nfs/dbraw/zinc/72/21/65/721722165.db2.gz NWFHFRYTLFXMSE-DHLKQENFSA-N 1 1 470.564 4.271 20 0 JIADMO COc1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164907668 721722694 /nfs/dbraw/zinc/72/26/94/721722694.db2.gz SLTNNMNXRBPBDN-DEOSSOPVSA-N 1 1 451.521 4.285 20 0 JIADMO C[C@H]1CCCN(C(=O)c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2)C1 ZINC001164906550 721723109 /nfs/dbraw/zinc/72/31/09/721723109.db2.gz MTVLROQYQXSVGW-CPJSRVTESA-N 1 1 469.580 4.086 20 0 JIADMO O=C(c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1)N1CCc2ccccc21 ZINC001164906982 721723358 /nfs/dbraw/zinc/72/33/58/721723358.db2.gz PDYYNFCJKLCAOA-HHHXNRCGSA-N 1 1 489.570 4.417 20 0 JIADMO COc1ccccc1-c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164909123 721726658 /nfs/dbraw/zinc/72/66/58/721726658.db2.gz BYKNVYXBWOFUGY-XMMPIXPASA-N 1 1 451.521 4.285 20 0 JIADMO COC(=O)c1cccc2nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ccc21 ZINC001164910530 721731227 /nfs/dbraw/zinc/73/12/27/721731227.db2.gz FSIIPXOCXHPSEZ-DEOSSOPVSA-N 1 1 452.505 4.154 20 0 JIADMO CCOC(=O)c1sc2ncnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2c1C ZINC001164908935 721744661 /nfs/dbraw/zinc/74/46/61/721744661.db2.gz OTGUZMMIPCKUNZ-UHFFFAOYSA-N 1 1 477.590 4.359 20 0 JIADMO CCOC(=O)c1sc2ncnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2c1C ZINC001164908935 721744665 /nfs/dbraw/zinc/74/46/65/721744665.db2.gz OTGUZMMIPCKUNZ-UHFFFAOYSA-N 1 1 477.590 4.359 20 0 JIADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164908482 721750955 /nfs/dbraw/zinc/75/09/55/721750955.db2.gz KKRNLGDZXPXBOP-UHFFFAOYSA-N 1 1 454.958 4.403 20 0 JIADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164908482 721750960 /nfs/dbraw/zinc/75/09/60/721750960.db2.gz KKRNLGDZXPXBOP-UHFFFAOYSA-N 1 1 454.958 4.403 20 0 JIADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164908992 721753247 /nfs/dbraw/zinc/75/32/47/721753247.db2.gz BKOXZZVQZKBEDA-UHFFFAOYSA-N 1 1 476.911 4.249 20 0 JIADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164908992 721753249 /nfs/dbraw/zinc/75/32/49/721753249.db2.gz BKOXZZVQZKBEDA-UHFFFAOYSA-N 1 1 476.911 4.249 20 0 JIADMO CCOC(=O)c1cc(Cl)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1C ZINC001164911766 721754215 /nfs/dbraw/zinc/75/42/15/721754215.db2.gz ZAZPJRTWRKLXHN-UHFFFAOYSA-N 1 1 454.958 4.403 20 0 JIADMO CCOC(=O)c1cc(Cl)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1C ZINC001164911766 721754219 /nfs/dbraw/zinc/75/42/19/721754219.db2.gz ZAZPJRTWRKLXHN-UHFFFAOYSA-N 1 1 454.958 4.403 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)C2 ZINC001164909519 721759344 /nfs/dbraw/zinc/75/93/44/721759344.db2.gz GMEOHSKVEUYLNT-UHFFFAOYSA-N 1 1 451.930 4.146 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)C2 ZINC001164909519 721759348 /nfs/dbraw/zinc/75/93/48/721759348.db2.gz GMEOHSKVEUYLNT-UHFFFAOYSA-N 1 1 451.930 4.146 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](OCC3CC3)[C@H]3COC[C@@H]32)n1 ZINC001165015615 721764127 /nfs/dbraw/zinc/76/41/27/721764127.db2.gz SQHMBUZJEMWGHI-JBACZVJFSA-N 1 1 450.608 4.050 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3[C@@H](OCCCn4cccn4)CC[C@@H]32)n1 ZINC001165015917 721781915 /nfs/dbraw/zinc/78/19/15/721781915.db2.gz BRIKZOQJKXRNEQ-HFMPRLQTSA-N 1 1 498.697 4.190 20 0 JIADMO Fc1ccc(-c2csc3ncnc(N4CCO[C@@]5(C4)COCC[N@H+](Cc4cccnc4)C5)c23)cc1 ZINC001164913521 721793310 /nfs/dbraw/zinc/79/33/10/721793310.db2.gz FBKUGPNKTDFQIM-SANMLTNESA-N 1 1 491.592 4.000 20 0 JIADMO Fc1ccc(-c2csc3ncnc(N4CCO[C@@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)c23)cc1 ZINC001164913521 721793314 /nfs/dbraw/zinc/79/33/14/721793314.db2.gz FBKUGPNKTDFQIM-SANMLTNESA-N 1 1 491.592 4.000 20 0 JIADMO COC(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cnc1Cl ZINC001165017901 721807667 /nfs/dbraw/zinc/80/76/67/721807667.db2.gz BBWFOAIMCGNOEE-YSSFQJQWSA-N 1 1 464.944 4.198 20 0 JIADMO COc1ccc(CN(C)c2ccnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)n2)cc1 ZINC001165027056 721829243 /nfs/dbraw/zinc/82/92/43/721829243.db2.gz RKIWSAAQBBIZJI-HDYLNDSGSA-N 1 1 472.637 4.254 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)n1 ZINC001164925684 721836616 /nfs/dbraw/zinc/83/66/16/721836616.db2.gz PHOIRVQZUZXBDN-FQRUVTKNSA-N 1 1 495.697 4.204 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@@H]5[C@H]4CC[N@H+]5CCN(C)C)c23)C1 ZINC001164932639 721879427 /nfs/dbraw/zinc/87/94/27/721879427.db2.gz JVKLHPMQTOYRLY-CEMLEFRQSA-N 1 1 482.742 4.017 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@@H]5[C@H]4CCN5CC[NH+](C)C)c23)C1 ZINC001164932639 721879428 /nfs/dbraw/zinc/87/94/28/721879428.db2.gz JVKLHPMQTOYRLY-CEMLEFRQSA-N 1 1 482.742 4.017 20 0 JIADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@H](Cc3ccccc3)C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165037178 721900057 /nfs/dbraw/zinc/90/00/57/721900057.db2.gz KUCABRYEPSPFBR-DHIUTWEWSA-N 1 1 464.654 4.340 20 0 JIADMO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC001165039637 721915459 /nfs/dbraw/zinc/91/54/59/721915459.db2.gz UKIPVSJELUGCSI-GOSISDBHSA-N 1 1 465.928 4.035 20 0 JIADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940505 721924705 /nfs/dbraw/zinc/92/47/05/721924705.db2.gz SELOJGARIXKHDR-UHFFFAOYSA-N 1 1 458.002 4.400 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5c4ncn5[C@H]4CCCCO4)CC3)C2)cc1 ZINC001164941050 721925837 /nfs/dbraw/zinc/92/58/37/721925837.db2.gz ZSRHYAYHCYKHOS-OAQYLSRUSA-N 1 1 497.043 4.359 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc(NC(=O)OC(C)(C)C)c5nc[nH]c54)CC3)C2)cc1 ZINC001164938610 721930559 /nfs/dbraw/zinc/93/05/59/721930559.db2.gz APICQZBYBBRPCU-UHFFFAOYSA-N 1 1 492.624 4.485 20 0 JIADMO Cc1sc2nc(-c3cccnc3)nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2c1C ZINC001164947743 721978397 /nfs/dbraw/zinc/97/83/97/721978397.db2.gz SCTXOKOFBGNSJU-UHFFFAOYSA-N 1 1 498.656 4.341 20 0 JIADMO Cc1sc2nc(-c3cccnc3)nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2c1C ZINC001164947743 721978400 /nfs/dbraw/zinc/97/84/00/721978400.db2.gz SCTXOKOFBGNSJU-UHFFFAOYSA-N 1 1 498.656 4.341 20 0 JIADMO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955216 722019840 /nfs/dbraw/zinc/01/98/40/722019840.db2.gz AJASAZLRWAEARL-CSKARUKUSA-N 1 1 491.636 4.140 20 0 JIADMO CCOC(=O)c1sc2nc(C)nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1C ZINC001164955277 722021594 /nfs/dbraw/zinc/02/15/94/722021594.db2.gz CWISSYBGJVJKRB-UHFFFAOYSA-N 1 1 465.623 4.372 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)n1 ZINC001164962598 722034726 /nfs/dbraw/zinc/03/47/26/722034726.db2.gz XVLYXOVGBDHNOX-FQRUVTKNSA-N 1 1 478.666 4.078 20 0 JIADMO Cc1noc(C[C@@H]2C[C@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3O2)n1 ZINC001164962962 722041887 /nfs/dbraw/zinc/04/18/87/722041887.db2.gz QHQKDZDUCTTZTH-BJLQDIEVSA-N 1 1 494.665 4.084 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4CCN(C(=O)c5ccco5)[C@H]4C3)c2c1C ZINC001164958637 722048110 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JSMQHQUQMONWQW-BVAGGSTKSA-N 1 1 451.574 4.419 20 0 JIADMO c1ccc(-c2nc(-c3ccccc3)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164976530 722113501 /nfs/dbraw/zinc/11/35/01/722113501.db2.gz LSGMHYCGLGNIGM-UIOOFZCWSA-N 1 1 478.600 4.328 20 0 JIADMO c1ccc(Cc2nnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c3ccccc23)cc1 ZINC001164978892 722138267 /nfs/dbraw/zinc/13/82/67/722138267.db2.gz KKQJUMLUYPGULV-UFHPHHKVSA-N 1 1 465.601 4.343 20 0 JIADMO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985103 722140573 /nfs/dbraw/zinc/14/05/73/722140573.db2.gz ZHXKVNRWANMYLH-WHSBFGAESA-N 1 1 472.637 4.131 20 0 JIADMO CN1c2ccccc2[C@@]2(CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C2)C1=O ZINC001164983191 722162560 /nfs/dbraw/zinc/16/25/60/722162560.db2.gz ZHORRUWKIHRFSZ-MHZLTWQESA-N 1 1 473.646 4.290 20 0 JIADMO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164992874 722196718 /nfs/dbraw/zinc/19/67/18/722196718.db2.gz 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483.648 4.098 20 0 JIADMO CON(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316310898 1066066936 /nfs/dbraw/zinc/06/69/36/1066066936.db2.gz XYTGAYFGDBKKNK-KDURUIRLSA-N 1 1 459.635 4.040 20 0 JIADMO CON(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316310898 1066066948 /nfs/dbraw/zinc/06/69/48/1066066948.db2.gz XYTGAYFGDBKKNK-KDURUIRLSA-N 1 1 459.635 4.040 20 0 JIADMO CO[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001316314198 1066070381 /nfs/dbraw/zinc/07/03/81/1066070381.db2.gz MQLPYJAUMFUOTB-JSXRDJHFSA-N 1 1 459.610 4.150 20 0 JIADMO CON(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC001316316137 1066072760 /nfs/dbraw/zinc/07/27/60/1066072760.db2.gz MBZRZFGGBLONLO-JTDSTZFVSA-N 1 1 479.025 4.003 20 0 JIADMO CO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001316318735 1066074432 /nfs/dbraw/zinc/07/44/32/1066074432.db2.gz NWFXLXKBQHBBNC-MZURWIMNSA-N 1 1 469.674 4.332 20 0 JIADMO CO[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001316324931 1066081638 /nfs/dbraw/zinc/08/16/38/1066081638.db2.gz PMRDASUTVUOQHJ-NQIIRXRSSA-N 1 1 463.573 4.284 20 0 JIADMO 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 1066086575 /nfs/dbraw/zinc/08/65/75/1066086575.db2.gz VRZIBTGBDFPVHQ-AZOUXBGGSA-N 1 1 485.673 4.005 20 0 JIADMO CO[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1OC ZINC001316332036 1066087943 /nfs/dbraw/zinc/08/79/43/1066087943.db2.gz XRZLANUHGVBTHT-HBGVWJBISA-N 1 1 482.456 4.222 20 0 JIADMO CS[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001316377451 1066142569 /nfs/dbraw/zinc/14/25/69/1066142569.db2.gz OFXFLMZGKHZOTJ-VQIMIIECSA-N 1 1 489.487 4.498 20 0 JIADMO CS[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001316382552 1066150885 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/nfs/dbraw/zinc/25/03/03/1066250303.db2.gz QVHFJSNPXJZWEH-CEJSKPCCSA-N 1 1 494.709 4.390 20 0 JIADMO CS[C@H]1CCCCN(c2nnc(Cc3ccsc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001316427795 1066252652 /nfs/dbraw/zinc/25/26/52/1066252652.db2.gz KSXNYKLELRFDMC-LEWJYISDSA-N 1 1 463.717 4.009 20 0 JIADMO CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001325967851 1066276554 /nfs/dbraw/zinc/27/65/54/1066276554.db2.gz BLRNEXGUYDVTPA-RUZDIDTESA-N 1 1 486.620 4.352 20 0 JIADMO COc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)c1 ZINC001325992186 1066278576 /nfs/dbraw/zinc/27/85/76/1066278576.db2.gz NKBMWAUERPBJEB-UHFFFAOYSA-N 1 1 491.621 4.177 20 0 JIADMO CSCC[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001316443921 1066309538 /nfs/dbraw/zinc/30/95/38/1066309538.db2.gz IXDBSHJVADZNHA-IAGOWNOFSA-N 1 1 483.524 4.356 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001316443925 1066309642 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491.721 4.091 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[C@@H]2CCCCO2)C[C@H](C)O1 ZINC001316504562 1066475834 /nfs/dbraw/zinc/47/58/34/1066475834.db2.gz GBDOQSOZXBZTII-OEYYQIPYSA-N 1 1 491.721 4.091 20 0 JIADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(-c4cccnc4)n3CC(C)(C)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001316504786 1066476747 /nfs/dbraw/zinc/47/67/47/1066476747.db2.gz QDKXCZARWCWHOF-HDICACEKSA-N 1 1 480.579 4.254 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC3CCCC3)n2CCc2ccccc2Cl)C[C@H](C)O1 ZINC001316505931 1066481156 /nfs/dbraw/zinc/48/11/56/1066481156.db2.gz ZNMGQVIVXBNUBO-BGYRXZFFSA-N 1 1 460.066 4.452 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC3CCCC3)n2CCc2ccccc2Cl)C[C@H](C)O1 ZINC001316505931 1066481174 /nfs/dbraw/zinc/48/11/74/1066481174.db2.gz ZNMGQVIVXBNUBO-BGYRXZFFSA-N 1 1 460.066 4.452 20 0 JIADMO FC(F)(F)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001316513326 1066502164 /nfs/dbraw/zinc/50/21/64/1066502164.db2.gz OQOQQGZHNHHHCR-CQSZACIVSA-N 1 1 464.319 4.401 20 0 JIADMO O=C(c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001338046658 1066526853 /nfs/dbraw/zinc/52/68/53/1066526853.db2.gz PJBGAUWKHJXVMF-GOSISDBHSA-N 1 1 468.406 4.105 20 0 JIADMO O=C(c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001338046658 1066526867 /nfs/dbraw/zinc/52/68/67/1066526867.db2.gz PJBGAUWKHJXVMF-GOSISDBHSA-N 1 1 468.406 4.105 20 0 JIADMO Fc1cccc(C[NH+]2CCN(c3nnc([C@H]4CCCCO4)n3CCSCC(F)(F)F)CC2)c1 ZINC001316523846 1066534226 /nfs/dbraw/zinc/53/42/26/1066534226.db2.gz HVFNAAKLSYBDCJ-LJQANCHMSA-N 1 1 487.567 4.277 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Cc3csc(-c4cccc(Br)c4)n3)c2)CC1 ZINC001338464852 1066557637 /nfs/dbraw/zinc/55/76/37/1066557637.db2.gz CRJNWUPKZRCTSH-UHFFFAOYSA-N 1 1 499.478 4.179 20 0 JIADMO C[C@H]1CCc2nc(NC(=O)NCc3cccc(OCC[N@@H+](C)C4CCOCC4)c3)sc2C1 ZINC001338478368 1066558343 /nfs/dbraw/zinc/55/83/43/1066558343.db2.gz RQWKGZDRKRTZEA-KRWDZBQOSA-N 1 1 458.628 4.079 20 0 JIADMO CCN(CC)S(=O)(=O)c1cc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)ccc1Cl ZINC001317828579 1066714218 /nfs/dbraw/zinc/71/42/18/1066714218.db2.gz BRPJCGXFAAMTGI-KRWDZBQOSA-N 1 1 459.056 4.147 20 0 JIADMO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC001317833864 1066719144 /nfs/dbraw/zinc/71/91/44/1066719144.db2.gz VHPXRQREEMMSNP-UHFFFAOYSA-N 1 1 478.618 4.082 20 0 JIADMO O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC001317853691 1066734003 /nfs/dbraw/zinc/73/40/03/1066734003.db2.gz XFGSRFMPWNDQQY-ZEQRLZLVSA-N 1 1 490.604 4.006 20 0 JIADMO CC(C)c1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001348477104 1066748183 /nfs/dbraw/zinc/74/81/83/1066748183.db2.gz WTUFIISCJPMAGG-FQEVSTJZSA-N 1 1 491.588 4.159 20 0 JIADMO CC(C)c1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001348477105 1066748372 /nfs/dbraw/zinc/74/83/72/1066748372.db2.gz WTUFIISCJPMAGG-HXUWFJFHSA-N 1 1 491.588 4.159 20 0 JIADMO CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)ccc1Cl ZINC001317889855 1066759457 /nfs/dbraw/zinc/75/94/57/1066759457.db2.gz PRRBIUGTUCNKJP-UHFFFAOYSA-N 1 1 485.075 4.455 20 0 JIADMO CNS(=O)(=O)c1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)ccc1C ZINC001348611974 1066763134 /nfs/dbraw/zinc/76/31/34/1066763134.db2.gz XYUVDXRGRXYILF-LOSJGSFVSA-N 1 1 477.630 4.066 20 0 JIADMO NC(=O)COc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1 ZINC001348768449 1066775643 /nfs/dbraw/zinc/77/56/43/1066775643.db2.gz UVXMFYCTPPCTFG-BJKOFHAPSA-N 1 1 463.965 4.058 20 0 JIADMO O=C(NCC[NH2+][C@@H](C(=O)NCc1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F ZINC001317914041 1066782627 /nfs/dbraw/zinc/78/26/27/1066782627.db2.gz YWBFJSRZPRUFSQ-JOCHJYFZSA-N 1 1 455.480 4.083 20 0 JIADMO CSc1ccc([C@@H](CNc2ccc(S(=O)(=O)N(C)C)cn2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001317945211 1066803102 /nfs/dbraw/zinc/80/31/02/1066803102.db2.gz FKQYQCPNLBYBCA-OAQYLSRUSA-N 1 1 488.704 4.327 20 0 JIADMO CSc1ccc([C@@H](CNc2ccc(S(=O)(=O)N(C)C)cn2)[N@H+]2CCc3sccc3C2)cc1 ZINC001317945211 1066803107 /nfs/dbraw/zinc/80/31/07/1066803107.db2.gz FKQYQCPNLBYBCA-OAQYLSRUSA-N 1 1 488.704 4.327 20 0 JIADMO CNC(=O)c1ccc(CN(C)C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001349137020 1066813587 /nfs/dbraw/zinc/81/35/87/1066813587.db2.gz DMPKHSZIUKOZFS-GGXMVOPNSA-N 1 1 455.602 4.095 20 0 JIADMO 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 1066815749 /nfs/dbraw/zinc/81/57/49/1066815749.db2.gz NQHYOQXSYVKKOM-IRXDYDNUSA-N 1 1 457.537 4.289 20 0 JIADMO C[N@@H+](Cc1ccccc1CNC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCCC1 ZINC001317985732 1066832726 /nfs/dbraw/zinc/83/27/26/1066832726.db2.gz SXHLOSJSRVTGNJ-DEOSSOPVSA-N 1 1 462.638 4.083 20 0 JIADMO Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001318065637 1066881614 /nfs/dbraw/zinc/88/16/14/1066881614.db2.gz XTYQZJZAHVIKEL-HSZRJFAPSA-N 1 1 469.651 4.404 20 0 JIADMO C[C@H](CCc1ccc(I)cc1)CC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC001349791917 1066883116 /nfs/dbraw/zinc/88/31/16/1066883116.db2.gz AZRQLHFNXDSSQT-CRAIPNDOSA-N 1 1 454.352 4.262 20 0 JIADMO CCc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)nnn1-c1ccc(OC(C)C)cc1 ZINC001349793215 1066883667 /nfs/dbraw/zinc/88/36/67/1066883667.db2.gz KCAJLOZRHUHBCV-JOCHJYFZSA-N 1 1 451.571 4.167 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC001318090480 1066894630 /nfs/dbraw/zinc/89/46/30/1066894630.db2.gz LKANZDMGBBHVAC-QHCPKHFHSA-N 1 1 484.438 4.097 20 0 JIADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3csc(Cc4ccc(Cl)cc4)n3)cc2)CC1 ZINC001318123961 1066911604 /nfs/dbraw/zinc/91/16/04/1066911604.db2.gz QYTDQLIVLGQTDP-UHFFFAOYSA-N 1 1 469.010 4.417 20 0 JIADMO O=C(Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)c1nc(-c2ccccc2)oc1C1CC1 ZINC001318130614 1066914686 /nfs/dbraw/zinc/91/46/86/1066914686.db2.gz KWONAFNETLAOPU-UHFFFAOYSA-N 1 1 457.534 4.222 20 0 JIADMO CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)ccc1Cl ZINC001350103558 1066917991 /nfs/dbraw/zinc/91/79/91/1066917991.db2.gz YESFBQQWTJIIOG-FQEVSTJZSA-N 1 1 450.004 4.367 20 0 JIADMO COCCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC001350114960 1066919986 /nfs/dbraw/zinc/91/99/86/1066919986.db2.gz KJORHCIVAGXMOO-UHFFFAOYSA-N 1 1 459.590 4.282 20 0 JIADMO O=C(Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)c1ccc(OC(F)F)cn1 ZINC001350124343 1066920959 /nfs/dbraw/zinc/92/09/59/1066920959.db2.gz ZRBAYOFRIWEYPP-UHFFFAOYSA-N 1 1 452.505 4.253 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC001318142822 1066922237 /nfs/dbraw/zinc/92/22/37/1066922237.db2.gz DFQQASCCRCEAJE-BGYRXZFFSA-N 1 1 467.610 4.251 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC001318142822 1066922246 /nfs/dbraw/zinc/92/22/46/1066922246.db2.gz DFQQASCCRCEAJE-BGYRXZFFSA-N 1 1 467.610 4.251 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001492547544 1066931164 /nfs/dbraw/zinc/93/11/64/1066931164.db2.gz BMNZTAFPJKPEII-ILBGXUMGSA-N 1 1 469.674 4.395 20 0 JIADMO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001318163757 1066932196 /nfs/dbraw/zinc/93/21/96/1066932196.db2.gz CNWYBUFFUAWXJV-UHFFFAOYSA-N 1 1 466.626 4.347 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)C1 ZINC001318172794 1066939164 /nfs/dbraw/zinc/93/91/64/1066939164.db2.gz BUMPYPZKFLUIHA-HXUWFJFHSA-N 1 1 469.651 4.268 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)C1 ZINC001318173877 1066939593 /nfs/dbraw/zinc/93/95/93/1066939593.db2.gz SOHBKDVHNWYBQQ-GOSISDBHSA-N 1 1 463.578 4.389 20 0 JIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1csc(I)n1 ZINC001350339641 1066945535 /nfs/dbraw/zinc/94/55/35/1066945535.db2.gz JINHZNMUIGMHGI-ZDUSSCGKSA-N 1 1 455.365 4.052 20 0 JIADMO C[C@@H](C(=O)Nc1cccc(I)c1)[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001318188227 1066948404 /nfs/dbraw/zinc/94/84/04/1066948404.db2.gz RNLUQRFMVOKPBM-XOBRGWDASA-N 1 1 489.357 4.066 20 0 JIADMO C[NH+]1CCN([C@@H](c2nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)c2ccccc2)CC1 ZINC001350674655 1066987364 /nfs/dbraw/zinc/98/73/64/1066987364.db2.gz SIEYDSQNUGIRKK-FGZHOGPDSA-N 1 1 463.582 4.021 20 0 JIADMO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)c12 ZINC001350763956 1066998343 /nfs/dbraw/zinc/99/83/43/1066998343.db2.gz DGVWQSXRKYVQMI-UHFFFAOYSA-N 1 1 455.647 4.383 20 0 JIADMO O=C(c1nc(Br)ccc1Br)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC001350856827 1067010547 /nfs/dbraw/zinc/01/05/47/1067010547.db2.gz SQWKPYJQQLLQCV-CYBMUJFWSA-N 1 1 451.162 4.231 20 0 JIADMO C[N@@H+](CCN(Cc1ccccc1)C(=O)/C=C\c1ccc2c(c1)NC(=O)CO2)Cc1ccccc1 ZINC001354673655 1067036328 /nfs/dbraw/zinc/03/63/28/1067036328.db2.gz FXPPKUDOSWMQMW-SQFISAMPSA-N 1 1 455.558 4.192 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)NCc3cccc(COCc4ccccc4)c3)c2)CC1 ZINC001318433510 1067041638 /nfs/dbraw/zinc/04/16/38/1067041638.db2.gz BMFVLLBAUQGGRS-UHFFFAOYSA-N 1 1 472.633 4.150 20 0 JIADMO Cc1ccc(C)c(Oc2ccc(CNC(=O)NCc3cccc(C[NH+]4CCN(C)CC4)c3)cn2)c1 ZINC001318434283 1067042332 /nfs/dbraw/zinc/04/23/32/1067042332.db2.gz MMRHBLQMKUXKHR-UHFFFAOYSA-N 1 1 473.621 4.238 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)CCc3nc4cc(C(F)(F)F)ccc4s3)c2)CC1 ZINC001318587007 1067053724 /nfs/dbraw/zinc/05/37/24/1067053724.db2.gz ZRCPJHFZCTZIGL-UHFFFAOYSA-N 1 1 476.568 4.312 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(NC(=O)[C@H]4Cc5ccccc5O4)c3)CC2)cc1 ZINC001319056073 1067065838 /nfs/dbraw/zinc/06/58/38/1067065838.db2.gz FFTCQACDUJVEOM-HHHXNRCGSA-N 1 1 469.585 4.285 20 0 JIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)C1 ZINC001319462154 1067073377 /nfs/dbraw/zinc/07/33/77/1067073377.db2.gz ACSSDDSMYFHCIW-IBGZPJMESA-N 1 1 458.562 4.201 20 0 JIADMO COc1ncccc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300713396 1067088282 /nfs/dbraw/zinc/08/82/82/1067088282.db2.gz XZKZBHLHEUWPRJ-UHFFFAOYSA-N 1 1 484.595 4.156 20 0 JIADMO CN(C(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)F)[C@@H]1CCC[N@@H+](C)C1 ZINC001354791275 1067099882 /nfs/dbraw/zinc/09/98/82/1067099882.db2.gz IDDRZVNQHIKRFI-LLVKDONJSA-N 1 1 451.827 4.043 20 0 JIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)c1 ZINC001321416383 1067120050 /nfs/dbraw/zinc/12/00/50/1067120050.db2.gz ZWPYEXYXYCEMBH-KRWDZBQOSA-N 1 1 476.556 4.349 20 0 JIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)c1 ZINC001321416383 1067120056 /nfs/dbraw/zinc/12/00/56/1067120056.db2.gz ZWPYEXYXYCEMBH-KRWDZBQOSA-N 1 1 476.556 4.349 20 0 JIADMO O=C(c1cnc2scc(-c3ccccc3)n2c1=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001321629590 1067182041 /nfs/dbraw/zinc/18/20/41/1067182041.db2.gz HZOKNRJSVVRUOK-UHFFFAOYSA-N 1 1 470.598 4.086 20 0 JIADMO Fc1cc(Br)cc(Br)c1NC(=S)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001200803544 1067213468 /nfs/dbraw/zinc/21/34/68/1067213468.db2.gz ASNYMJNBESADJK-NSHDSACASA-N 1 1 451.203 4.121 20 0 JIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001321827850 1067214871 /nfs/dbraw/zinc/21/48/71/1067214871.db2.gz KIEZMFALRBFRNG-RUZDIDTESA-N 1 1 459.594 4.005 20 0 JIADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cc(Br)ccc3C3CC3)cc2)CC1 ZINC001351896306 1067235970 /nfs/dbraw/zinc/23/59/70/1067235970.db2.gz PBZYMSQSCBSVQG-UHFFFAOYSA-N 1 1 456.384 4.357 20 0 JIADMO CSc1nnnn1-c1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)c1 ZINC001351905328 1067239584 /nfs/dbraw/zinc/23/95/84/1067239584.db2.gz BDNDHBASJHNCCW-DENIHFKCSA-N 1 1 450.612 4.117 20 0 JIADMO Fc1cc(Br)cc(Br)c1NC(=S)NCC[NH+]1CCC(F)(F)CC1 ZINC001200808566 1067245913 /nfs/dbraw/zinc/24/59/13/1067245913.db2.gz LSTBZOMZTLBBNC-UHFFFAOYSA-N 1 1 475.172 4.368 20 0 JIADMO COc1ccc([C@@H]2[C@H](C(=O)N3CCC[N@H+]4CCC[C@H]4C3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC001322152549 1067257834 /nfs/dbraw/zinc/25/78/34/1067257834.db2.gz ADANBIQQGXGXAZ-VXQMPNGUSA-N 1 1 461.606 4.185 20 0 JIADMO CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=S)NC[C@H]1CCC[N@H+]1CC ZINC001322202741 1067262127 /nfs/dbraw/zinc/26/21/27/1067262127.db2.gz WIRILPSNOMHMPA-MRXNPFEDSA-N 1 1 477.652 4.380 20 0 JIADMO CO[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300749178 1067265656 /nfs/dbraw/zinc/26/56/56/1067265656.db2.gz PDPARDGSWHJZKZ-BHIFYINESA-N 1 1 490.693 4.086 20 0 JIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC001354919674 1067280958 /nfs/dbraw/zinc/28/09/58/1067280958.db2.gz AJHSZHFCAMWGTF-INIZCTEOSA-N 1 1 454.514 4.285 20 0 JIADMO CSc1cccc(N2C[C@@H](C(=O)Nc3ccc4[nH]c(C[NH+]5CCCCC5)nc4c3)CC2=O)c1 ZINC001322392578 1067285977 /nfs/dbraw/zinc/28/59/77/1067285977.db2.gz IKDVOTZPPXDGIX-KRWDZBQOSA-N 1 1 463.607 4.262 20 0 JIADMO CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)ccc1C ZINC001322403686 1067286698 /nfs/dbraw/zinc/28/66/98/1067286698.db2.gz GVDMAEZBRLWTRW-UHFFFAOYSA-N 1 1 483.638 4.140 20 0 JIADMO C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001322404906 1067287157 /nfs/dbraw/zinc/28/71/57/1067287157.db2.gz SEGXYKCSDYASBA-MRXNPFEDSA-N 1 1 469.586 4.387 20 0 JIADMO Cc1nc(-c2ccc([C@@H](C)NC(=O)NCc3cccc(C[NH+]4CCN(C)CC4)c3)cc2)cs1 ZINC001322425295 1067291160 /nfs/dbraw/zinc/29/11/60/1067291160.db2.gz WCCFXXXENQDGPD-LJQANCHMSA-N 1 1 463.651 4.426 20 0 JIADMO CO[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001300761555 1067301219 /nfs/dbraw/zinc/30/12/19/1067301219.db2.gz QGTAAZMYWOGIHA-HKUYNNGSSA-N 1 1 482.456 4.368 20 0 JIADMO O=C(c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001322567616 1067302963 /nfs/dbraw/zinc/30/29/63/1067302963.db2.gz WVTZLYMOKHDCCE-GFCCVEGCSA-N 1 1 481.828 4.269 20 0 JIADMO O=C(NCCc1ccc(OC(F)F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001352215297 1067311707 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RXJQPZXACCUGAM-OAQYLSRUSA-N 1 1 485.654 4.017 20 0 JIADMO CO[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CCC[C@H]2C)CC1(C)C ZINC001300793111 1067364608 /nfs/dbraw/zinc/36/46/08/1067364608.db2.gz DFPSFUSXSIOMJS-DNVCBOLYSA-N 1 1 480.426 4.192 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)c2nc(C)cs2)cc1 ZINC001300013293 1067368494 /nfs/dbraw/zinc/36/84/94/1067368494.db2.gz NIODGYAMGIYHJX-YSIASYRMSA-N 1 1 484.670 4.068 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](C)c2nc(C)cs2)cc1 ZINC001300013293 1067368508 /nfs/dbraw/zinc/36/85/08/1067368508.db2.gz NIODGYAMGIYHJX-YSIASYRMSA-N 1 1 484.670 4.068 20 0 JIADMO Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492554800 1067371919 /nfs/dbraw/zinc/37/19/19/1067371919.db2.gz WQIPHPGOAHABFL-QHAWAJNXSA-N 1 1 463.630 4.129 20 0 JIADMO COc1ccc(-c2nnc(N(C)OC)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1Br ZINC001300017160 1067378222 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JIADMO O=C(NCc1cccc(OCC(F)F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001358252512 1068051847 /nfs/dbraw/zinc/05/18/47/1068051847.db2.gz MULKJQQXLDNWNE-NHCUHLMSSA-N 1 1 457.546 4.319 20 0 JIADMO COc1ccc(OCc2nnc(N3CCC(C(F)(F)F)CC3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001300272345 1068053372 /nfs/dbraw/zinc/05/33/72/1068053372.db2.gz PMOXKMGQPJAXND-KRWDZBQOSA-N 1 1 467.536 4.129 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001492565408 1068079029 /nfs/dbraw/zinc/07/90/29/1068079029.db2.gz DQROYAPPMAGPAZ-FGZHOGPDSA-N 1 1 466.674 4.117 20 0 JIADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC001358458642 1068096221 /nfs/dbraw/zinc/09/62/21/1068096221.db2.gz ROUITKSNADKJHV-IFMALSPDSA-N 1 1 473.614 4.098 20 0 JIADMO C[C@@H]1Oc2ccccc2N(CCC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1=O ZINC001358478748 1068102215 /nfs/dbraw/zinc/10/22/15/1068102215.db2.gz LOMDOBUQXZKNJJ-RXVVDRJESA-N 1 1 455.986 4.015 20 0 JIADMO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC001358488498 1068111707 /nfs/dbraw/zinc/11/17/07/1068111707.db2.gz AVDJWTCJLZRLKF-RUZDIDTESA-N 1 1 450.558 4.355 20 0 JIADMO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3cnc(-c4c(F)cccc4F)s3)c2)C1 ZINC001200346499 1068165568 /nfs/dbraw/zinc/16/55/68/1068165568.db2.gz NVLYDQTZIUNLRH-SFHVURJKSA-N 1 1 456.562 4.075 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3cnc(-c4c(F)cccc4F)s3)c2)C1 ZINC001200346499 1068165595 /nfs/dbraw/zinc/16/55/95/1068165595.db2.gz NVLYDQTZIUNLRH-SFHVURJKSA-N 1 1 456.562 4.075 20 0 JIADMO COc1ccccc1[C@H](CNC(=O)Nc1nnc(SCc2ccc(F)cc2)s1)[NH+](C)C ZINC000515106691 1068259961 /nfs/dbraw/zinc/25/99/61/1068259961.db2.gz NKQUMYDCFLYDGL-KRWDZBQOSA-N 1 1 461.588 4.403 20 0 JIADMO COc1cccc(C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001300328860 1068262651 /nfs/dbraw/zinc/26/26/51/1068262651.db2.gz BQGWHDIBUGYLGS-UHFFFAOYSA-N 1 1 477.657 4.278 20 0 JIADMO COc1cc(NC(=O)CC[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c(OC)cc1Cl ZINC001473606559 1068267182 /nfs/dbraw/zinc/26/71/82/1068267182.db2.gz PZZCYOICLHEULD-GJZGRUSLSA-N 1 1 455.983 4.063 20 0 JIADMO 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 1068287640 /nfs/dbraw/zinc/28/76/40/1068287640.db2.gz NOTYEJAFTZKJEI-OYRHEFFESA-N 1 1 474.671 4.110 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3Cc3nccn3C(F)F)CC2)c1 ZINC001300334951 1068304606 /nfs/dbraw/zinc/30/46/06/1068304606.db2.gz LEFGRZKBRWOLRE-GOSISDBHSA-N 1 1 473.572 4.008 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC=CO3)CC2)c1 ZINC001300335087 1068304868 /nfs/dbraw/zinc/30/48/68/1068304868.db2.gz LZSCKRSIOPIQPI-REWPJTCUSA-N 1 1 453.631 4.451 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3Cc3nccn3C(F)F)CC2)c1 ZINC001300334952 1068304909 /nfs/dbraw/zinc/30/49/09/1068304909.db2.gz LEFGRZKBRWOLRE-SFHVURJKSA-N 1 1 473.572 4.008 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC4CC4)n3CC[C@H](OC)C(F)(F)F)CC2)c1 ZINC001300336035 1068310432 /nfs/dbraw/zinc/31/04/32/1068310432.db2.gz YDRFAIXSXJMUBG-UTKZUKDTSA-N 1 1 481.563 4.090 20 0 JIADMO COc1ccc(CNc2nnc(S[C@@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)s2)cc1 ZINC000519900200 1068317430 /nfs/dbraw/zinc/31/74/30/1068317430.db2.gz DSKBOPBDRXAQRP-FXAWDEMLSA-N 1 1 483.663 4.030 20 0 JIADMO CC(=O)Nc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)s2)c1 ZINC000521237740 1068330896 /nfs/dbraw/zinc/33/08/96/1068330896.db2.gz KFLOJECUUXMODQ-KKSFZXQISA-N 1 1 496.662 4.111 20 0 JIADMO COc1cccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H]2CCCO[C@H]2C(C)C)c1 ZINC001300344469 1068338249 /nfs/dbraw/zinc/33/82/49/1068338249.db2.gz GXXUDWDCXWLUTM-ZCYQVOJMSA-N 1 1 499.700 4.200 20 0 JIADMO Cc1nnc(-c2cccc(C(=O)Nc3cc(NC(=O)C[N@H+]4CCCC[C@H]4C)ccc3F)c2)o1 ZINC001353631408 1068382051 /nfs/dbraw/zinc/38/20/51/1068382051.db2.gz GFLOXPGLDGBYRW-OAHLLOKOSA-N 1 1 451.502 4.249 20 0 JIADMO Cc1nnc(-c2cccc(C(=O)Nc3cc(NC(=O)C[N@@H+]4CCCC[C@H]4C)ccc3F)c2)o1 ZINC001353631408 1068382068 /nfs/dbraw/zinc/38/20/68/1068382068.db2.gz GFLOXPGLDGBYRW-OAHLLOKOSA-N 1 1 451.502 4.249 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001300375128 1068442978 /nfs/dbraw/zinc/44/29/78/1068442978.db2.gz DEHXULSRBIRTOR-OAQYLSRUSA-N 1 1 486.661 4.130 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC001300385446 1068482338 /nfs/dbraw/zinc/48/23/38/1068482338.db2.gz PRWXATHBXCLPAH-IBGZPJMESA-N 1 1 494.606 4.149 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CCN(C)C(=O)OC(C)(C)C)c1 ZINC001300385657 1068484121 /nfs/dbraw/zinc/48/41/21/1068484121.db2.gz VFXLFVOSYZMEFO-UHFFFAOYSA-N 1 1 498.672 4.275 20 0 JIADMO COc1cccc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001300418936 1068623430 /nfs/dbraw/zinc/62/34/30/1068623430.db2.gz GZCLKNLESLKMRE-DNQXCXABSA-N 1 1 469.674 4.369 20 0 JIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC001353844678 1068655559 /nfs/dbraw/zinc/65/55/59/1068655559.db2.gz HWGTTWPCHAVJIW-KRWDZBQOSA-N 1 1 454.621 4.122 20 0 JIADMO CCC[C@H]1CN(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)CC[N@H+]1CCOC ZINC001200473378 1068685247 /nfs/dbraw/zinc/68/52/47/1068685247.db2.gz GKSYQOMIAPZVKC-BNHRFMORSA-N 1 1 457.640 4.100 20 0 JIADMO CCCCCc1nnc(NC(=O)N(C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)s1 ZINC000503521697 1068694658 /nfs/dbraw/zinc/69/46/58/1068694658.db2.gz GBVWKANTUYKFIJ-UHFFFAOYSA-N 1 1 460.648 4.420 20 0 JIADMO COc1cccc(F)c1N1CCN(c2nnc(C(C)C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001300440854 1068714379 /nfs/dbraw/zinc/71/43/79/1068714379.db2.gz YRGCIBDORBXTEC-UHFFFAOYSA-N 1 1 458.626 4.140 20 0 JIADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2[C@H](/C=C(/Cl)c3ccc(Cl)cc3)C2(C)C)CC1 ZINC001353918633 1068751561 /nfs/dbraw/zinc/75/15/61/1068751561.db2.gz YTZMXOOLYKXYOL-CLMIBMGISA-N 1 1 466.453 4.299 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc([C@@H]4CCCCO4)n3CCCC(F)(F)F)CC2)c1 ZINC001300452685 1068762111 /nfs/dbraw/zinc/76/21/11/1068762111.db2.gz ZZKADUDSUWVMMZ-NRFANRHFSA-N 1 1 497.562 4.072 20 0 JIADMO COc1ccccc1[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)OC(C)C ZINC001300455916 1068774672 /nfs/dbraw/zinc/77/46/72/1068774672.db2.gz DLZVFWZGDWXSPK-XMMPIXPASA-N 1 1 495.672 4.164 20 0 JIADMO COc1ccccc1C1(Cn2c(N3CC[NH+](CCOC(C)C)CC3)nnc2C(C)(C)C)CCC1 ZINC001300462276 1068800271 /nfs/dbraw/zinc/80/02/71/1068800271.db2.gz WLJWRVFQAXHSCJ-UHFFFAOYSA-N 1 1 469.674 4.253 20 0 JIADMO COc1ccccc1-c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001300462982 1068800817 /nfs/dbraw/zinc/80/08/17/1068800817.db2.gz BFAXSFPCRZIYSO-GGAORHGYSA-N 1 1 468.690 4.242 20 0 JIADMO COc1cc(NC(=S)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(OC)cc1Cl ZINC001200534390 1068843035 /nfs/dbraw/zinc/84/30/35/1068843035.db2.gz CTPGZAQQPFUWFG-MRXNPFEDSA-N 1 1 480.030 4.403 20 0 JIADMO COc1cc(NC(=S)N2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(OC)cc1Cl ZINC001200535993 1068849053 /nfs/dbraw/zinc/84/90/53/1068849053.db2.gz YTWMEYACNFMWAV-UWVAXJGDSA-N 1 1 478.062 4.124 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001300506287 1068878680 /nfs/dbraw/zinc/87/86/80/1068878680.db2.gz QRDRGPKLUAETMY-UHFFFAOYSA-N 1 1 498.672 4.275 20 0 JIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)[C@@H](C)C1 ZINC001354075691 1068882468 /nfs/dbraw/zinc/88/24/68/1068882468.db2.gz GIMXECAZFYVXPB-OXJNMPFZSA-N 1 1 459.432 4.316 20 0 JIADMO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001300514111 1068895900 /nfs/dbraw/zinc/89/59/00/1068895900.db2.gz XHNYZSNNVFXJEQ-UXHICEINSA-N 1 1 494.606 4.291 20 0 JIADMO COc1ccccc1[C@@H]1CCCN1c1nnc(CC(C)(C)C)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001300523122 1068919462 /nfs/dbraw/zinc/91/94/62/1068919462.db2.gz DYESESSLLUJRJA-GGAORHGYSA-N 1 1 469.674 4.454 20 0 JIADMO COc1ccccc1[C@H]1CCN(c2nnc(CC(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001300523722 1068920989 /nfs/dbraw/zinc/92/09/89/1068920989.db2.gz AXLOJQSKAUKWBI-BDTNDASRSA-N 1 1 469.674 4.367 20 0 JIADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCCCOCC2CCOCC2)c1 ZINC001354155017 1068934882 /nfs/dbraw/zinc/93/48/82/1068934882.db2.gz USNCROALNXMTKJ-RRPNLBNLSA-N 1 1 450.623 4.160 20 0 JIADMO Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1NC(=O)OC(C)(C)C ZINC001354156344 1068936287 /nfs/dbraw/zinc/93/62/87/1068936287.db2.gz JHSHVMSCVPZCMC-XXBNENTESA-N 1 1 453.583 4.361 20 0 JIADMO Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1NC(=O)OC(C)(C)C ZINC001354156344 1068936298 /nfs/dbraw/zinc/93/62/98/1068936298.db2.gz JHSHVMSCVPZCMC-XXBNENTESA-N 1 1 453.583 4.361 20 0 JIADMO COC(=O)c1ccc2c(c1)[C@H](CNC(=O)[C@H]1C[N@@H+](Cc3ccccc3)CCC1(F)F)CCC2 ZINC001300529008 1068936671 /nfs/dbraw/zinc/93/66/71/1068936671.db2.gz LIKJFCHWJMEKJD-JTHBVZDNSA-N 1 1 456.533 4.167 20 0 JIADMO Cc1cc(C(C)(C)C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1Br ZINC001354157911 1068938337 /nfs/dbraw/zinc/93/83/37/1068938337.db2.gz WRBOPNVABHXIQK-GCJKJVERSA-N 1 1 459.428 4.441 20 0 JIADMO Cc1cc(C(C)(C)C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1Br ZINC001354157911 1068938344 /nfs/dbraw/zinc/93/83/44/1068938344.db2.gz WRBOPNVABHXIQK-GCJKJVERSA-N 1 1 459.428 4.441 20 0 JIADMO COc1ccccc1C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001300530193 1068939566 /nfs/dbraw/zinc/93/95/66/1068939566.db2.gz MUNPAQQLPPMJCJ-JOCHJYFZSA-N 1 1 476.669 4.462 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)Cc2cc(C)cs2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001300533990 1068950732 /nfs/dbraw/zinc/95/07/32/1068950732.db2.gz AZZQOGBVSIFRPO-NRFANRHFSA-N 1 1 483.682 4.385 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(=S)Nc1ccc(F)c(Cl)c1)CC2 ZINC001200584610 1068953357 /nfs/dbraw/zinc/95/33/57/1068953357.db2.gz RJQGJEAHEQKDNM-LJQANCHMSA-N 1 1 470.054 4.405 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)Cc2ccc(Br)o2)n1CC[N@H+]1CCC[C@@H]1C ZINC001300535497 1068954595 /nfs/dbraw/zinc/95/45/95/1068954595.db2.gz JSONGGCQYNXTES-KRWDZBQOSA-N 1 1 488.430 4.354 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)Cc2cnc(C)s2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300536492 1068956956 /nfs/dbraw/zinc/95/69/56/1068956956.db2.gz PHRWSDOEZPVCHT-RBUKOAKNSA-N 1 1 468.671 4.399 20 0 JIADMO CC(C)(C)OCCC[NH+]1CCN(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC001200586944 1068960595 /nfs/dbraw/zinc/96/05/95/1068960595.db2.gz QTZOLUHBZYYHEH-UHFFFAOYSA-N 1 1 453.509 4.246 20 0 JIADMO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CCN(C(=S)Nc3ccc(F)c(Cl)c3)CC2)C1 ZINC001200587172 1068961549 /nfs/dbraw/zinc/96/15/49/1068961549.db2.gz MFVCLYDALTZHRJ-OAHLLOKOSA-N 1 1 457.015 4.239 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1CCCOC(F)F ZINC001492587042 1069018715 /nfs/dbraw/zinc/01/87/15/1069018715.db2.gz CGDQCOVQUVUEGI-UHFFFAOYSA-N 1 1 461.582 4.190 20 0 JIADMO O=C(c1ccccc1OCc1cn2ccccc2n1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000849367389 1069024299 /nfs/dbraw/zinc/02/42/99/1069024299.db2.gz QKFAUUMYHBLWIP-UHFFFAOYSA-N 1 1 477.568 4.420 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@](C)(OC)C2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001300560463 1069027870 /nfs/dbraw/zinc/02/78/70/1069027870.db2.gz BOLBXYAREWNPIT-YPCDYVTLSA-N 1 1 455.647 4.003 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001492588143 1069032803 /nfs/dbraw/zinc/03/28/03/1069032803.db2.gz KOFCMEHMZZWRCY-CUBQBAPOSA-N 1 1 483.701 4.056 20 0 JIADMO Cc1ccccc1-c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001492571594 1069039044 /nfs/dbraw/zinc/03/90/44/1069039044.db2.gz DBBZEGDUWQDODX-SFHLNBCPSA-N 1 1 465.564 4.245 20 0 JIADMO Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)cs1 ZINC000849486018 1069052989 /nfs/dbraw/zinc/05/29/89/1069052989.db2.gz DODYKALAXFAKDJ-DHIUTWEWSA-N 1 1 451.640 4.025 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Oc2ccc(NC(=O)c3cccs3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849488696 1069056521 /nfs/dbraw/zinc/05/65/21/1069056521.db2.gz IHQLGCPSVUQNHQ-NHCUHLMSSA-N 1 1 452.580 4.153 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCSC(F)(F)F ZINC001300566406 1069057206 /nfs/dbraw/zinc/05/72/06/1069057206.db2.gz AGOMJPDFRAHVQW-UHFFFAOYSA-N 1 1 471.593 4.441 20 0 JIADMO Cc1sc(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)nc1-c1ccc(OC(F)F)cc1 ZINC000849492028 1069059433 /nfs/dbraw/zinc/05/94/33/1069059433.db2.gz PKFOZJREXDFERE-QZTJIDSGSA-N 1 1 461.538 4.127 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849491781 1069060550 /nfs/dbraw/zinc/06/05/50/1069060550.db2.gz ANLXVGRRTCMDNJ-SFTDATJTSA-N 1 1 459.566 4.198 20 0 JIADMO COc1ccc(-c2cc(NC(=O)[C@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)ccc2OC(F)F)cc1 ZINC000849493050 1069061506 /nfs/dbraw/zinc/06/15/06/1069061506.db2.gz ZINDZMOEHUCFMS-RBBKRZOGSA-N 1 1 470.520 4.371 20 0 JIADMO COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)c1 ZINC000849493066 1069061592 /nfs/dbraw/zinc/06/15/92/1069061592.db2.gz ZROWSDHUBVINIS-QUCCMNQESA-N 1 1 469.611 4.013 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cn1 ZINC000849493576 1069064758 /nfs/dbraw/zinc/06/47/58/1069064758.db2.gz YAEAQBPPZSLWBM-QZTJIDSGSA-N 1 1 464.422 4.448 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cn1 ZINC000849494614 1069066877 /nfs/dbraw/zinc/06/68/77/1069066877.db2.gz WQXDYJRTUWUDOO-RBUKOAKNSA-N 1 1 486.498 4.104 20 0 JIADMO COc1cc([C@H](C)NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OCC(C)C ZINC000849495474 1069066894 /nfs/dbraw/zinc/06/68/94/1069066894.db2.gz CRNDODJRWBHGMM-PMOQBDJRSA-N 1 1 456.631 4.155 20 0 JIADMO 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 1069067617 /nfs/dbraw/zinc/06/76/17/1069067617.db2.gz KBDPSVHCXIYGMQ-XZOQPEGZSA-N 1 1 469.630 4.240 20 0 JIADMO 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 1069068672 /nfs/dbraw/zinc/06/86/72/1069068672.db2.gz FLQKQIKAXSSOLI-XYVMCAHJSA-N 1 1 468.486 4.260 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849501998 1069075602 /nfs/dbraw/zinc/07/56/02/1069075602.db2.gz OVPZNMOBCLAJRU-BJKOFHAPSA-N 1 1 476.577 4.180 20 0 JIADMO COc1cc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1NC(=O)OC(C)(C)C ZINC000849502772 1069076714 /nfs/dbraw/zinc/07/67/14/1069076714.db2.gz SHDGIVIOUCSEIE-WOJBJXKFSA-N 1 1 471.602 4.228 20 0 JIADMO CCOc1ccc(Oc2cc(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)ccn2)cc1 ZINC000849504820 1069083199 /nfs/dbraw/zinc/08/31/99/1069083199.db2.gz QVFSUQDAMMBQKP-JWQCQUIFSA-N 1 1 477.609 4.136 20 0 JIADMO COc1ccccc1Cc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@@](C)(O)C(C)C ZINC001300572314 1069083850 /nfs/dbraw/zinc/08/38/50/1069083850.db2.gz HMXPJTGGAZJMQV-RXFWQSSRSA-N 1 1 483.682 4.229 20 0 JIADMO COc1ccccc1Cc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@](C)(O)C(C)C ZINC001300572311 1069083868 /nfs/dbraw/zinc/08/38/68/1069083868.db2.gz HMXPJTGGAZJMQV-IBVKSMDESA-N 1 1 483.682 4.229 20 0 JIADMO CCOc1cc(Br)c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1OCC ZINC000849504679 1069084188 /nfs/dbraw/zinc/08/41/88/1069084188.db2.gz DMPHOECCUDKIBH-MSOLQXFVSA-N 1 1 493.446 4.433 20 0 JIADMO Cc1nc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)sc1Cc1ccccc1F ZINC000849505328 1069085233 /nfs/dbraw/zinc/08/52/33/1069085233.db2.gz RSKOEPZZVDEURK-WOJBJXKFSA-N 1 1 455.603 4.368 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCSCc2cccc3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849506077 1069086252 /nfs/dbraw/zinc/08/62/52/1069086252.db2.gz LBCRMGFXSITCRM-RPBOFIJWSA-N 1 1 450.652 4.437 20 0 JIADMO Cc1ccc(C(=O)Nc2cccc(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c2)cc1 ZINC000849505950 1069086296 /nfs/dbraw/zinc/08/62/96/1069086296.db2.gz KRHQLONKQASURM-IZZNHLLZSA-N 1 1 473.621 4.111 20 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4.495 20 0 JIADMO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)C)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001492575050 1069091315 /nfs/dbraw/zinc/09/13/15/1069091315.db2.gz GXMKPIKTWCKBIG-DEOSSOPVSA-N 1 1 494.728 4.188 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849510075 1069091900 /nfs/dbraw/zinc/09/19/00/1069091900.db2.gz OHKOTANYXDSNFP-WOJBJXKFSA-N 1 1 459.566 4.198 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cn1 ZINC000849511126 1069094493 /nfs/dbraw/zinc/09/44/93/1069094493.db2.gz NYRBPGSVZKRBSM-RTWAWAEBSA-N 1 1 472.420 4.386 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849510834 1069094694 /nfs/dbraw/zinc/09/46/94/1069094694.db2.gz VEXNSRQRQUMUQB-VABKMULXSA-N 1 1 473.459 4.230 20 0 JIADMO 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 1069096925 /nfs/dbraw/zinc/09/69/25/1069096925.db2.gz OEYUYJSMPJODLH-NMNUPHIUSA-N 1 1 480.575 4.489 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849513217 1069097245 /nfs/dbraw/zinc/09/72/45/1069097245.db2.gz QYDJTHUOBYWPFQ-BJKOFHAPSA-N 1 1 456.594 4.271 20 0 JIADMO 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 1069099307 /nfs/dbraw/zinc/09/93/07/1069099307.db2.gz KHTOCGRIXYUKIV-NHCUHLMSSA-N 1 1 466.548 4.356 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCOC(C)(C)[C@H]2C)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001300576691 1069102292 /nfs/dbraw/zinc/10/22/92/1069102292.db2.gz KJGRUTZAAVVIBY-HXUWFJFHSA-N 1 1 455.647 4.003 20 0 JIADMO 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 1069103227 /nfs/dbraw/zinc/10/32/27/1069103227.db2.gz KUSYIKRKPNSURO-PMACEKPBSA-N 1 1 471.602 4.228 20 0 JIADMO COc1ccc(C[C@H](NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2ccccc2)cc1OC ZINC000849517054 1069103427 /nfs/dbraw/zinc/10/34/27/1069103427.db2.gz MPXZRLFQNMFTIW-GSDHBNRESA-N 1 1 490.648 4.351 20 0 JIADMO Cc1cccc(-c2cc(NC(=O)[C@@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)n(-c3ccccc3)n2)c1 ZINC000849517455 1069103519 /nfs/dbraw/zinc/10/35/19/1069103519.db2.gz NXLFGPXPLUQFNY-RPWUZVMVSA-N 1 1 454.578 4.255 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC(C)(C)Cc2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849517403 1069103536 /nfs/dbraw/zinc/10/35/36/1069103536.db2.gz NKMONDQTDSWGLL-SFTDATJTSA-N 1 1 461.448 4.134 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849516996 1069103561 /nfs/dbraw/zinc/10/35/61/1069103561.db2.gz RRWCNQOIHWWNMU-JWQCQUIFSA-N 1 1 474.609 4.194 20 0 JIADMO COc1ccc(-c2cc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)n(-c3cccc(C)c3)n2)cc1 ZINC000849518638 1069109302 /nfs/dbraw/zinc/10/93/02/1069109302.db2.gz SHIXLMKMWBNOLV-JWQCQUIFSA-N 1 1 484.604 4.264 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849522067 1069114289 /nfs/dbraw/zinc/11/42/89/1069114289.db2.gz WXVJYLBXTYHYJS-JWQCQUIFSA-N 1 1 450.627 4.140 20 0 JIADMO CC[C@@H](c1nnc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)s1)c1ccccc1 ZINC000849521525 1069115744 /nfs/dbraw/zinc/11/57/44/1069115744.db2.gz FERBWRMNWBYQKZ-QHAWAJNXSA-N 1 1 452.628 4.266 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccccc2NC(=O)Cc2cccs2)[C@@H](c2cnn(C)c2)C1 ZINC000849522903 1069115897 /nfs/dbraw/zinc/11/58/97/1069115897.db2.gz QAOHSWPPEINELS-NHCUHLMSSA-N 1 1 465.623 4.115 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)Nc2nnc(Cc3cccc(F)c3)s2)C[C@H](C)O1 ZINC000504195512 1069118838 /nfs/dbraw/zinc/11/88/38/1069118838.db2.gz MSGOOHNZRHHHPS-CALCHBBNSA-N 1 1 469.586 4.199 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)Nc2nnc(Cc3cccc(F)c3)s2)C[C@H](C)O1 ZINC000504195512 1069118843 /nfs/dbraw/zinc/11/88/43/1069118843.db2.gz MSGOOHNZRHHHPS-CALCHBBNSA-N 1 1 469.586 4.199 20 0 JIADMO 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 1069126937 /nfs/dbraw/zinc/12/69/37/1069126937.db2.gz GNPDUWUZGLZCDZ-ZEQRLZLVSA-N 1 1 481.641 4.166 20 0 JIADMO CC(C)Cn1cc([C@H]2N(C(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC23CCOCC3)cn1 ZINC000849531217 1069135330 /nfs/dbraw/zinc/13/53/30/1069135330.db2.gz HDBDUBUOZVZXIQ-TVZXLZGTSA-N 1 1 480.653 4.142 20 0 JIADMO CC(C)Cn1cc([C@H]2N(C(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC23CCOCC3)cn1 ZINC000849531217 1069135339 /nfs/dbraw/zinc/13/53/39/1069135339.db2.gz HDBDUBUOZVZXIQ-TVZXLZGTSA-N 1 1 480.653 4.142 20 0 JIADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC000849537868 1069160116 /nfs/dbraw/zinc/16/01/16/1069160116.db2.gz WEOWBVVANDPQGT-WXFUMESZSA-N 1 1 496.453 4.251 20 0 JIADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC000849537864 1069160210 /nfs/dbraw/zinc/16/02/10/1069160210.db2.gz WEOWBVVANDPQGT-TZRRMPRUSA-N 1 1 496.453 4.251 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)CC23CCOCC3)cn1 ZINC000849543808 1069177909 /nfs/dbraw/zinc/17/79/09/1069177909.db2.gz VWMVGYOCQCPOEB-ZEQRLZLVSA-N 1 1 486.607 4.377 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cn1 ZINC000849546880 1069184984 /nfs/dbraw/zinc/18/49/84/1069184984.db2.gz DEESGZAAZABJJB-ROUUACIJSA-N 1 1 477.462 4.439 20 0 JIADMO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849550074 1069189182 /nfs/dbraw/zinc/18/91/82/1069189182.db2.gz BKERQMMFZPPEGE-LEWJYISDSA-N 1 1 460.557 4.095 20 0 JIADMO COc1cccc(-n2c3ccccc3nc2NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849551298 1069191061 /nfs/dbraw/zinc/19/10/61/1069191061.db2.gz AIYUXZBJJAVQHN-GOTSBHOMSA-N 1 1 472.593 4.220 20 0 JIADMO CC1(C)CCC[N@@H+](CCNC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC001200656470 1069191871 /nfs/dbraw/zinc/19/18/71/1069191871.db2.gz DSYRTNJZGFGMQC-UHFFFAOYSA-N 1 1 453.303 4.029 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC2(c3cccc(Br)c3)CCCCC2)cn1 ZINC000849554014 1069198621 /nfs/dbraw/zinc/19/86/21/1069198621.db2.gz LFHBPTNJBBMLMA-FCHUYYIVSA-N 1 1 473.459 4.236 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849555802 1069201938 /nfs/dbraw/zinc/20/19/38/1069201938.db2.gz TYCXSNIOGFHZFW-FCHUYYIVSA-N 1 1 462.560 4.491 20 0 JIADMO Fc1cc(F)cc(NC(=S)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2ccccn2)c1 ZINC001200661839 1069207358 /nfs/dbraw/zinc/20/73/58/1069207358.db2.gz AHKBYNZLFVOXJP-UQBPGWFLSA-N 1 1 472.605 4.307 20 0 JIADMO 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 1069207464 /nfs/dbraw/zinc/20/74/64/1069207464.db2.gz YBEAEJQUNTXLDF-FCEUIQTBSA-N 1 1 466.548 4.227 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCOc3cc(Br)c(Cl)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849559692 1069208596 /nfs/dbraw/zinc/20/85/96/1069208596.db2.gz VYEOZLLVFJGTEU-HZPDHXFCSA-N 1 1 481.822 4.076 20 0 JIADMO COc1ccc(-c2csc(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)c2)cc1 ZINC000849560219 1069208833 /nfs/dbraw/zinc/20/88/33/1069208833.db2.gz ZFBITYLFJFQTPZ-ZEQRLZLVSA-N 1 1 452.624 4.288 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)cn1 ZINC000849564624 1069215033 /nfs/dbraw/zinc/21/50/33/1069215033.db2.gz VUZYQWAIBYCOGS-RJGXRXQPSA-N 1 1 485.401 4.263 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)[C@H](c2cnn(C)c2)C1 ZINC000849565835 1069216296 /nfs/dbraw/zinc/21/62/96/1069216296.db2.gz WVLWGQBBCUWIOK-WPFOTENUSA-N 1 1 452.002 4.188 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2csc(Br)c2)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849566883 1069218592 /nfs/dbraw/zinc/21/85/92/1069218592.db2.gz CJFHORLBMIHAPD-OALUTQOASA-N 1 1 465.461 4.249 20 0 JIADMO COc1cccc(Cn2ccc3ccc(NC(=O)[C@@H]4CC[N@@H+](C)C[C@@H]4c4cnn(C)c4)cc32)c1 ZINC000849566871 1069218649 /nfs/dbraw/zinc/21/86/49/1069218649.db2.gz FBTOEQCAERLATG-JWQCQUIFSA-N 1 1 457.578 4.106 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2csc(Br)c2)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849566885 1069219221 /nfs/dbraw/zinc/21/92/21/1069219221.db2.gz CJFHORLBMIHAPD-RTBURBONSA-N 1 1 465.461 4.249 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2ccccc2OC)cc1 ZINC000849567545 1069219486 /nfs/dbraw/zinc/21/94/86/1069219486.db2.gz HKEMAAXSOQZZOA-RMDSEJHCSA-N 1 1 476.621 4.157 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)cn1 ZINC000849568448 1069219712 /nfs/dbraw/zinc/21/97/12/1069219712.db2.gz OJRGLYDGBQHOLL-VXKWHMMOSA-N 1 1 468.646 4.252 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)[C@@H](c2cnn(C)c2)C1 ZINC000849569437 1069220558 /nfs/dbraw/zinc/22/05/58/1069220558.db2.gz UCWOZBWDHPHQTL-FGZHOGPDSA-N 1 1 472.058 4.370 20 0 JIADMO Cc1cc2c(cc1Br)N(C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)CCC2 ZINC000849570151 1069221379 /nfs/dbraw/zinc/22/13/79/1069221379.db2.gz ZSNNXEXVDFHDHP-UXHICEINSA-N 1 1 459.432 4.284 20 0 JIADMO Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849571373 1069221671 /nfs/dbraw/zinc/22/16/71/1069221671.db2.gz IEXGVCSDSHZVOL-VWNXMTODSA-N 1 1 495.668 4.326 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849572469 1069222640 /nfs/dbraw/zinc/22/26/40/1069222640.db2.gz MWFLOHVBPFSIAP-RBUKOAKNSA-N 1 1 460.504 4.077 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)[C@H](c2cnn(C)c2)C1 ZINC000849571874 1069223695 /nfs/dbraw/zinc/22/36/95/1069223695.db2.gz LUJBFJRCHRKXFF-ROUUACIJSA-N 1 1 461.397 4.365 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCCCc3c(Br)cccc32)[C@H](c2cnn(C)c2)C1 ZINC000849573707 1069225716 /nfs/dbraw/zinc/22/57/16/1069225716.db2.gz RVWWGAHLYOEWIG-ICSRJNTNSA-N 1 1 459.432 4.366 20 0 JIADMO CC(C)(C)OC(=O)NC1(CC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC001354446724 1069227339 /nfs/dbraw/zinc/22/73/39/1069227339.db2.gz YWVYWFLZKDMMID-FQEVSTJZSA-N 1 1 455.624 4.411 20 0 JIADMO CC(C)(C)OC(=O)NC1(CC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC001354446724 1069227349 /nfs/dbraw/zinc/22/73/49/1069227349.db2.gz YWVYWFLZKDMMID-FQEVSTJZSA-N 1 1 455.624 4.411 20 0 JIADMO CCCCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001354446820 1069228087 /nfs/dbraw/zinc/22/80/87/1069228087.db2.gz ZXZRQAAFIOOWNZ-SFTDATJTSA-N 1 1 457.665 4.055 20 0 JIADMO CCCCC(=O)N1CSC[C@H]1C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001354446820 1069228095 /nfs/dbraw/zinc/22/80/95/1069228095.db2.gz ZXZRQAAFIOOWNZ-SFTDATJTSA-N 1 1 457.665 4.055 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N[C@H](CC(F)(F)F)c2ccc(Br)cc2)cn1 ZINC000849576206 1069229180 /nfs/dbraw/zinc/22/91/80/1069229180.db2.gz HRRXOIWRNQRIPL-KZNAEPCWSA-N 1 1 473.337 4.028 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849576004 1069229372 /nfs/dbraw/zinc/22/93/72/1069229372.db2.gz BXGLHRQDGNDYOT-BHDDXSALSA-N 1 1 477.422 4.499 20 0 JIADMO CCc1c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1cccc(Cl)c1 ZINC000849582500 1069233018 /nfs/dbraw/zinc/23/30/18/1069233018.db2.gz NLRKRVZHZGFBQN-SFTDATJTSA-N 1 1 455.006 4.274 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc3cc(F)c(Br)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849582031 1069233283 /nfs/dbraw/zinc/23/32/83/1069233283.db2.gz KDURYRVXCHZBGA-KGLIPLIRSA-N 1 1 480.407 4.384 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2cccc(Br)c2)CC2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849583823 1069234512 /nfs/dbraw/zinc/23/45/12/1069234512.db2.gz VHUTZIBBTQRZME-PKTZIBPZSA-N 1 1 473.459 4.435 20 0 JIADMO Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)cc1Oc1ncccc1Br ZINC000849587391 1069237823 /nfs/dbraw/zinc/23/78/23/1069237823.db2.gz IDRYXRKDBKYBJK-MOPGFXCFSA-N 1 1 484.398 4.352 20 0 JIADMO Cc1ccc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)cc1Oc1ncccc1Br ZINC000849587393 1069237934 /nfs/dbraw/zinc/23/79/34/1069237934.db2.gz IDRYXRKDBKYBJK-RBUKOAKNSA-N 1 1 484.398 4.352 20 0 JIADMO Cc1ccc(CN(Cc2ccco2)C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c(Br)c1 ZINC000849588030 1069238427 /nfs/dbraw/zinc/23/84/27/1069238427.db2.gz ONPWPXMXNNQYIL-VXKWHMMOSA-N 1 1 485.426 4.348 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849586760 1069238827 /nfs/dbraw/zinc/23/88/27/1069238827.db2.gz FWQFZECKMXQUGU-IZLXSDGUSA-N 1 1 486.660 4.411 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849586763 1069238961 /nfs/dbraw/zinc/23/89/61/1069238961.db2.gz FWQFZECKMXQUGU-WUFINQPMSA-N 1 1 486.660 4.411 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)[C@H](c2cnn(C)c2)C1 ZINC000849588673 1069240310 /nfs/dbraw/zinc/24/03/10/1069240310.db2.gz MXMWVPHHYYMNSO-RDJZCZTQSA-N 1 1 462.982 4.184 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)[C@H](c2cnn(C)c2)C1 ZINC000849590388 1069241272 /nfs/dbraw/zinc/24/12/72/1069241272.db2.gz YHYKDWHGTSVXOH-UXHICEINSA-N 1 1 488.474 4.258 20 0 JIADMO COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849589756 1069242001 /nfs/dbraw/zinc/24/20/01/1069242001.db2.gz ZHWJHIIFKPUVDZ-RTWAWAEBSA-N 1 1 472.593 4.425 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](C)c2ccc(Br)cc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849590866 1069242687 /nfs/dbraw/zinc/24/26/87/1069242687.db2.gz ANBWYZHTCCPCNM-ZOCIIQOWSA-N 1 1 451.384 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](C)c2ccc(Br)cc2F)[C@H](c2cnn(C)c2)C1 ZINC000849590859 1069242853 /nfs/dbraw/zinc/24/28/53/1069242853.db2.gz ANBWYZHTCCPCNM-CCKFTAQKSA-N 1 1 451.384 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849591504 1069243618 /nfs/dbraw/zinc/24/36/18/1069243618.db2.gz JQFYJLIIYZCNCU-NHCUHLMSSA-N 1 1 458.031 4.327 20 0 JIADMO 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 1069245688 /nfs/dbraw/zinc/24/56/88/1069245688.db2.gz UPWMVKRAQRDGGG-QZTJIDSGSA-N 1 1 464.035 4.300 20 0 JIADMO 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 1069245735 /nfs/dbraw/zinc/24/57/35/1069245735.db2.gz TUXYVJCKRKEAJB-JRGCBEDISA-N 1 1 450.549 4.342 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849594360 1069246454 /nfs/dbraw/zinc/24/64/54/1069246454.db2.gz XARMQVXUCDBPIJ-UXHICEINSA-N 1 1 497.993 4.255 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849594131 1069246539 /nfs/dbraw/zinc/24/65/39/1069246539.db2.gz SZMGRTSUIYWSOH-QPPBQGQZSA-N 1 1 451.590 4.261 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849595543 1069246866 /nfs/dbraw/zinc/24/68/66/1069246866.db2.gz YHONFLZPJBWGDG-BJKOFHAPSA-N 1 1 495.668 4.238 20 0 JIADMO 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 1069247289 /nfs/dbraw/zinc/24/72/89/1069247289.db2.gz IUTDSCXFBANAFI-QTGUNEKASA-N 1 1 477.584 4.033 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849595548 1069247974 /nfs/dbraw/zinc/24/79/74/1069247974.db2.gz YHONFLZPJBWGDG-ZEQRLZLVSA-N 1 1 495.668 4.238 20 0 JIADMO 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 1069248165 /nfs/dbraw/zinc/24/81/65/1069248165.db2.gz OAYUZXYZJCWDST-LUGPXAIHSA-N 1 1 478.559 4.241 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849596091 1069249293 /nfs/dbraw/zinc/24/92/93/1069249293.db2.gz MVCHGNAMFBGFGT-IZZNHLLZSA-N 1 1 483.620 4.180 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)cn1 ZINC000849595950 1069250107 /nfs/dbraw/zinc/25/01/07/1069250107.db2.gz MKAZILSXKIORSB-SDHOMARFSA-N 1 1 467.013 4.183 20 0 JIADMO 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 1069251674 /nfs/dbraw/zinc/25/16/74/1069251674.db2.gz SSOIGLKCBXFSTL-KSEOMHKRSA-N 1 1 497.640 4.221 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCc2ccc(Br)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849598481 1069253304 /nfs/dbraw/zinc/25/33/04/1069253304.db2.gz ZYQJVRYRQJRECB-RTBURBONSA-N 1 1 467.839 4.009 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849599680 1069256761 /nfs/dbraw/zinc/25/67/61/1069256761.db2.gz BGCFYPLSYLPMSJ-RBUKOAKNSA-N 1 1 492.571 4.334 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849599679 1069256963 /nfs/dbraw/zinc/25/69/63/1069256963.db2.gz BGCFYPLSYLPMSJ-OALUTQOASA-N 1 1 492.571 4.334 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849601415 1069257859 /nfs/dbraw/zinc/25/78/59/1069257859.db2.gz VKGXWJQTGAEEPQ-BJKOFHAPSA-N 1 1 495.668 4.238 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cnc(-c3ccc(Br)s3)nc2)[C@H](c2cnn(C)c2)C1 ZINC000849606262 1069262430 /nfs/dbraw/zinc/26/24/30/1069262430.db2.gz NMRGWTAGVLZWQZ-SJORKVTESA-N 1 1 489.443 4.154 20 0 JIADMO Cc1ccccc1-n1ncc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1C(F)F ZINC000849610174 1069267930 /nfs/dbraw/zinc/26/79/30/1069267930.db2.gz XWWAGXLTWQZKDI-RTBURBONSA-N 1 1 456.541 4.304 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849610759 1069272266 /nfs/dbraw/zinc/27/22/66/1069272266.db2.gz OACJSXUBKQXXSF-IEBWSBKVSA-N 1 1 459.566 4.198 20 0 JIADMO CSc1ccc(-c2nsc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)cc1 ZINC000849613261 1069274511 /nfs/dbraw/zinc/27/45/11/1069274511.db2.gz QTQFLPBNJGEELO-MOPGFXCFSA-N 1 1 456.641 4.113 20 0 JIADMO Cc1ccccc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCC[C@@H]1C ZINC001492591621 1069304821 /nfs/dbraw/zinc/30/48/21/1069304821.db2.gz JIMJZOZPKHAOPO-SFHVURJKSA-N 1 1 471.447 4.475 20 0 JIADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(C=Cc4ccccc43)CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164421472 718909018 /nfs/dbraw/zinc/90/90/18/718909018.db2.gz QXPOTFGGXBXEBI-NRFANRHFSA-N 1 1 474.649 4.445 20 0 JIADMO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)[C@H]3C2)cc1 ZINC001164632340 719098881 /nfs/dbraw/zinc/09/88/81/719098881.db2.gz ZHGWFZFBVDWIPK-GGAORHGYSA-N 1 1 489.689 4.113 20 0 JIADMO C[NH+]1CCN(c2nccc(N3CCC(O[C@H](c4ccc(Cl)cc4)c4ccccn4)CC3)n2)CC1 ZINC001164618977 719131528 /nfs/dbraw/zinc/13/15/28/719131528.db2.gz BEDATZSQKZFUBZ-RUZDIDTESA-N 1 1 479.028 4.052 20 0 JIADMO CN(C)C(=O)CO[C@H]1CCC2(CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC2)c2ccccc21 ZINC001164630607 719140057 /nfs/dbraw/zinc/14/00/57/719140057.db2.gz JUBSNSKJQNGQRD-SANMLTNESA-N 1 1 492.664 4.033 20 0 JIADMO CN(C)C(=O)CO[C@H]1CCC2(CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC2)c2ccccc21 ZINC001164630621 719140073 /nfs/dbraw/zinc/14/00/73/719140073.db2.gz KAHADXDQVNUGGS-VWLOTQADSA-N 1 1 462.638 4.154 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)n1 ZINC001164651936 719300442 /nfs/dbraw/zinc/30/04/42/719300442.db2.gz MTFDEUZFWXSKEM-FGTMMUONSA-N 1 1 456.616 4.198 20 0 JIADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CC[C@H](C)C6)C[C@@H]3O2)n1 ZINC001164647252 719300458 /nfs/dbraw/zinc/30/04/58/719300458.db2.gz DDLUKLVUQDNMPV-UHMOLFJZSA-N 1 1 494.665 4.460 20 0 JIADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@@H]3O2)n1 ZINC001164652634 719301269 /nfs/dbraw/zinc/30/12/69/719301269.db2.gz NSBGCDSZDHMNGI-IHPCNDPISA-N 1 1 476.606 4.468 20 0 JIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164647449 719308500 /nfs/dbraw/zinc/30/85/00/719308500.db2.gz MHDOYVBPXMCQRC-UHFFFAOYSA-N 1 1 480.060 4.090 20 0 JIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)CC2 ZINC001164652887 719313641 /nfs/dbraw/zinc/31/36/41/719313641.db2.gz SKUCYYVTCXAWHJ-UHFFFAOYSA-N 1 1 450.921 4.110 20 0 JIADMO Fc1ccc(CN2CCOCC23CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC3)cc1 ZINC001164670090 719513548 /nfs/dbraw/zinc/51/35/48/719513548.db2.gz BBMFXKBXWNUODI-UHFFFAOYSA-N 1 1 459.009 4.341 20 0 JIADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCc5onc(Cn6ccnc6)c5C4)c23)C1 ZINC001164676981 719566108 /nfs/dbraw/zinc/56/61/08/719566108.db2.gz TTXSVZCLGKJIGB-KRWDZBQOSA-N 1 1 489.649 4.207 20 0 JIADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc3sc(-c4ccccc4)cc31)CC2 ZINC001164684731 719731449 /nfs/dbraw/zinc/73/14/49/719731449.db2.gz JZJKHGZLPYFPTI-UHFFFAOYSA-N 1 1 456.015 4.193 20 0 JIADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(-c3ccc(Oc4ccccc4)cc3)nn1)CC2 ZINC001164689612 719750991 /nfs/dbraw/zinc/75/09/91/719750991.db2.gz JFIDBFKSEXAXPW-UHFFFAOYSA-N 1 1 457.578 4.117 20 0 JIADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(OC)c3)c1)CC2 ZINC001164690540 719757324 /nfs/dbraw/zinc/75/73/24/719757324.db2.gz DJUQHKUAAOPOMF-UHFFFAOYSA-N 1 1 478.971 4.136 20 0 JIADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164691266 719812481 /nfs/dbraw/zinc/81/24/81/719812481.db2.gz CGNBYRGXAOHTAY-UHFFFAOYSA-N 1 1 470.973 4.466 20 0 JIADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164691266 719812482 /nfs/dbraw/zinc/81/24/82/719812482.db2.gz CGNBYRGXAOHTAY-UHFFFAOYSA-N 1 1 470.973 4.466 20 0 JIADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C(=O)N4CCC[C@H](C)C4)cn2)CC3)cs1 ZINC001164693422 719813154 /nfs/dbraw/zinc/81/31/54/719813154.db2.gz UWKAMRAGWHZNBO-IBGZPJMESA-N 1 1 453.656 4.354 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(C[C@H](c5cnn(C)c5)CO4)CC3)c2c1C ZINC001164698817 719826340 /nfs/dbraw/zinc/82/63/40/719826340.db2.gz VHOSLZKDDVSJBQ-IBGZPJMESA-N 1 1 466.655 4.181 20 0 JIADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2cccs2)nc2sc(C)c(C)c21 ZINC001164701242 719868697 /nfs/dbraw/zinc/86/86/97/719868697.db2.gz GIBWPJDFGSIKQF-XDHUDOTRSA-N 1 1 486.663 4.269 20 0 JIADMO COc1cc2nc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2cc1OC ZINC001164695323 719890811 /nfs/dbraw/zinc/89/08/11/719890811.db2.gz NSTHMZAWRQCNEV-UHFFFAOYSA-N 1 1 475.014 4.233 20 0 JIADMO O=C(c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2)N1CCc2ccccc21 ZINC001164698392 719897923 /nfs/dbraw/zinc/89/79/23/719897923.db2.gz SCWBDEKZZZFPCJ-UHFFFAOYSA-N 1 1 474.630 4.217 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccnc1C1SCCCS1)CC2 ZINC001164714265 720108690 /nfs/dbraw/zinc/10/86/90/720108690.db2.gz BIYCINOOZVFTLE-FQEVSTJZSA-N 1 1 471.696 4.248 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164717413 720112061 /nfs/dbraw/zinc/11/20/61/720112061.db2.gz OPTIUCUXKRYMHK-QGZVFWFLSA-N 1 1 473.955 4.464 20 0 JIADMO CCCN(CCC)c1cc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)ncn1 ZINC001164713870 720130064 /nfs/dbraw/zinc/13/00/64/720130064.db2.gz TWRNXKLUYRWYTR-QHCPKHFHSA-N 1 1 452.647 4.006 20 0 JIADMO CCCN(CCC)c1cncc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164713097 720130230 /nfs/dbraw/zinc/13/02/30/720130230.db2.gz QSRWPEOVNGLXDY-HSZRJFAPSA-N 1 1 452.647 4.006 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CC2 ZINC001164710813 720134347 /nfs/dbraw/zinc/13/43/47/720134347.db2.gz DCINSGADWLNDLF-LJQANCHMSA-N 1 1 488.970 4.126 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(F)cc1C(=O)NCc1cccs1)C2 ZINC001164815872 720139875 /nfs/dbraw/zinc/13/98/75/720139875.db2.gz WPQFIJBADIYDNI-XDHUDOTRSA-N 1 1 493.048 4.050 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(OC)cc3OC)nn1)CC2 ZINC001164711706 720148482 /nfs/dbraw/zinc/14/84/82/720148482.db2.gz IAZHEBSSAPWFFC-JOCHJYFZSA-N 1 1 489.620 4.063 20 0 JIADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)n1 ZINC001164818517 720170314 /nfs/dbraw/zinc/17/03/14/720170314.db2.gz SYYQMTWWNMCGRA-RLWLMLJZSA-N 1 1 471.715 4.335 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)C2 ZINC001164819784 720192274 /nfs/dbraw/zinc/19/22/74/720192274.db2.gz YEPQEHZZYBWGNL-KBXCAEBGSA-N 1 1 453.883 4.483 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CCC2 ZINC001164816301 720242820 /nfs/dbraw/zinc/24/28/20/720242820.db2.gz HQMFCQAWLKWPHB-UHFFFAOYSA-N 1 1 488.970 4.149 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3cc(OCc4ccccc4)ccc31)CCC2 ZINC001164818006 720243618 /nfs/dbraw/zinc/24/36/18/720243618.db2.gz WCAQJOKDJRAYHK-UHFFFAOYSA-N 1 1 484.604 4.016 20 0 JIADMO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721135 720335748 /nfs/dbraw/zinc/33/57/48/720335748.db2.gz ANCVBZOFHRJZRO-SFTDATJTSA-N 1 1 499.949 4.280 20 0 JIADMO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721135 720335755 /nfs/dbraw/zinc/33/57/55/720335755.db2.gz ANCVBZOFHRJZRO-SFTDATJTSA-N 1 1 499.949 4.280 20 0 JIADMO Cc1nc(CN2CCN(C)C3(CCN(c4cc(C)c5ccc(C)c(C)c5[nH+]4)CC3)C2=O)cs1 ZINC001164821166 720379856 /nfs/dbraw/zinc/37/98/56/720379856.db2.gz YRKRPJJUHHULEX-UHFFFAOYSA-N 1 1 463.651 4.238 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)nc1 ZINC001164820449 720383922 /nfs/dbraw/zinc/38/39/22/720383922.db2.gz BPPBXTUFWOGDLI-DEOSSOPVSA-N 1 1 496.725 4.097 20 0 JIADMO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3nc(C[NH+]4CCCCC4)nc4sc(C)c(C)c43)O2)n1 ZINC001164829382 720408697 /nfs/dbraw/zinc/40/86/97/720408697.db2.gz MRVXJJQHJRDWCJ-QRVBRYPASA-N 1 1 468.627 4.484 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@@H]3C2)nc1 ZINC001164839977 720503363 /nfs/dbraw/zinc/50/33/63/720503363.db2.gz UYVOBBLLLHZBTK-ZYQDXHPFSA-N 1 1 454.659 4.263 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C(=O)NCc4ccccc4)cc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840601 720520463 /nfs/dbraw/zinc/52/04/63/720520463.db2.gz WWHPQRQVNKVUCJ-KMDXXIMOSA-N 1 1 493.055 4.239 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc4ccsc4c(Cl)n3)CC[C@@H]21 ZINC001164834862 720521272 /nfs/dbraw/zinc/52/12/72/720521272.db2.gz HRNSEMHLHDQNSQ-ZOBUZTSGSA-N 1 1 466.989 4.464 20 0 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CCc1nc(Cl)c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(Cl)n1 ZINC001164780225 721368250 /nfs/dbraw/zinc/36/82/50/721368250.db2.gz DIYSJGUBYKDUMI-NRFANRHFSA-N 1 1 454.402 4.070 20 0 JIADMO CCc1nc(Cl)c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c(Cl)n1 ZINC001164780225 721368256 /nfs/dbraw/zinc/36/82/56/721368256.db2.gz DIYSJGUBYKDUMI-NRFANRHFSA-N 1 1 454.402 4.070 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(-c5cc(Cl)ncn5)cc4)C3)O2)CC1 ZINC001164892850 721398281 /nfs/dbraw/zinc/39/82/81/721398281.db2.gz TZWMXTBLKYQNLM-QPPBQGQZSA-N 1 1 492.014 4.107 20 0 JIADMO Cc1nc2sc3c(c2c(N2CC[C@@]4(C2)CCC[C@H](CN2CC[NH+](C)CC2)O4)n1)CCCCC3 ZINC001164891596 721435770 /nfs/dbraw/zinc/43/57/70/721435770.db2.gz HHHHFICLXLOFGH-FQRUVTKNSA-N 1 1 469.699 4.034 20 0 JIADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)n2)s1 ZINC001164894426 721439762 /nfs/dbraw/zinc/43/97/62/721439762.db2.gz MNLUUEBDMIFVMA-KDYSTLNUSA-N 1 1 477.678 4.432 20 0 JIADMO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C ZINC001164896508 721442082 /nfs/dbraw/zinc/44/20/82/721442082.db2.gz RKXBDFBZCQUZSC-LVXARBLLSA-N 1 1 470.061 4.179 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4cccc(Cl)c4)C3)O2)CC1 ZINC001164889857 721450210 /nfs/dbraw/zinc/45/02/10/721450210.db2.gz PNXOTGDZLSSPQJ-YKSBVNFPSA-N 1 1 492.451 4.341 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164785224 721450752 /nfs/dbraw/zinc/45/07/52/721450752.db2.gz HKVGROWPSVVVIK-INIZCTEOSA-N 1 1 479.399 4.062 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164786657 721458938 /nfs/dbraw/zinc/45/89/38/721458938.db2.gz PAHCMJDYKYQILR-KRWDZBQOSA-N 1 1 461.956 4.153 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc(Cl)c(OC)cc31)CC2 ZINC001164788700 721460536 /nfs/dbraw/zinc/46/05/36/721460536.db2.gz VQOQEFMPVVHMSD-LJQANCHMSA-N 1 1 475.033 4.026 20 0 JIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(CCN(Cc4csc(C)n4)C3=O)C2)nc1 ZINC001164890341 721462144 /nfs/dbraw/zinc/46/21/44/721462144.db2.gz RAFFTKIRJNEUOC-DHLKQENFSA-N 1 1 453.656 4.413 20 0 JIADMO CC(C)C(=O)N1CC[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)CC[C@H]21 ZINC001164894166 721465307 /nfs/dbraw/zinc/46/53/07/721465307.db2.gz VVXIJKQITDCPGA-AZUAARDMSA-N 1 1 467.683 4.249 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(-c3ccccc3F)cc1C)CC2 ZINC001164789595 721471673 /nfs/dbraw/zinc/47/16/73/721471673.db2.gz ONGCUQYQDILUBR-JOCHJYFZSA-N 1 1 468.617 4.325 20 0 JIADMO CN1Cc2ccccc2CC2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC2)C1=O ZINC001164895113 721471802 /nfs/dbraw/zinc/47/18/02/721471802.db2.gz RBOWKCUKBDKRGP-UHFFFAOYSA-N 1 1 466.629 4.441 20 0 JIADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164791659 721473977 /nfs/dbraw/zinc/47/39/77/721473977.db2.gz XIYLPMOVASPQDO-CTNGQTDRSA-N 1 1 455.647 4.205 20 0 JIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)CC[N@H+]3C2)c1 ZINC001164900303 721523481 /nfs/dbraw/zinc/52/34/81/721523481.db2.gz PYDFQUVJIQEOHC-TZIWHRDSSA-N 1 1 478.959 4.009 20 0 JIADMO Fc1ccc(Cn2ccc3c2ncnc3N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC001164905826 721538936 /nfs/dbraw/zinc/53/89/36/721538936.db2.gz IPNKAZUHQMBCBP-GGAORHGYSA-N 1 1 461.516 4.100 20 0 JIADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909886 721566476 /nfs/dbraw/zinc/56/64/76/721566476.db2.gz VBILYIBXBXNJQO-PKOBYXMFSA-N 1 1 470.932 4.412 20 0 JIADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909881 721566618 /nfs/dbraw/zinc/56/66/18/721566618.db2.gz VBILYIBXBXNJQO-MJGOQNOKSA-N 1 1 470.932 4.412 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164801454 721570765 /nfs/dbraw/zinc/57/07/65/721570765.db2.gz GSHFQGRBLZGKIP-GTNKKZTPSA-N 1 1 486.616 4.447 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(F)cc2)[C@H]2CCCO[C@H]12 ZINC001164805740 721579552 /nfs/dbraw/zinc/57/95/52/721579552.db2.gz LSQKCEJKIGQIRH-NNWRFLSQSA-N 1 1 469.948 4.325 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(F)cc2)[C@H]2CCCO[C@H]12 ZINC001164805740 721579556 /nfs/dbraw/zinc/57/95/56/721579556.db2.gz LSQKCEJKIGQIRH-NNWRFLSQSA-N 1 1 469.948 4.325 20 0 JIADMO COCc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(-c2ccccc2)n1 ZINC001164906192 721586189 /nfs/dbraw/zinc/58/61/89/721586189.db2.gz LZEYTXORSUXKMS-VWLOTQADSA-N 1 1 465.548 4.423 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164809486 721586758 /nfs/dbraw/zinc/58/67/58/721586758.db2.gz SKIWWRWKBZGLBL-YIKNKFAXSA-N 1 1 484.648 4.397 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164809486 721586759 /nfs/dbraw/zinc/58/67/59/721586759.db2.gz SKIWWRWKBZGLBL-YIKNKFAXSA-N 1 1 484.648 4.397 20 0 JIADMO FC1(F)CCN(c2nnc(Cl)cc2-c2ccncc2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164903669 721586898 /nfs/dbraw/zinc/58/68/98/721586898.db2.gz BGFZWYMDKMBMQI-QFIPXVFZSA-N 1 1 456.928 4.325 20 0 JIADMO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164805218 721589887 /nfs/dbraw/zinc/58/98/87/721589887.db2.gz KYMZUQXKRPMFOD-PUHATCMVSA-N 1 1 465.985 4.494 20 0 JIADMO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164805218 721589890 /nfs/dbraw/zinc/58/98/90/721589890.db2.gz KYMZUQXKRPMFOD-PUHATCMVSA-N 1 1 465.985 4.494 20 0 JIADMO COc1cc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2cc1OC ZINC001164905550 721697827 /nfs/dbraw/zinc/69/78/27/721697827.db2.gz JVMPSJLPKZWAAB-HSZRJFAPSA-N 1 1 489.954 4.433 20 0 JIADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907333 721710863 /nfs/dbraw/zinc/71/08/63/721710863.db2.gz QZAOCTHQSUTQDY-HXUWFJFHSA-N 1 1 486.897 4.199 20 0 JIADMO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905515 721719048 /nfs/dbraw/zinc/71/90/48/721719048.db2.gz HANSSWZTPUCHHX-HXUWFJFHSA-N 1 1 480.897 4.356 20 0 JIADMO FC1(F)CCN(c2nc(Cl)nc3c(Cl)nccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908559 721721515 /nfs/dbraw/zinc/72/15/15/721721515.db2.gz XZDJXZNLNQFLSX-HXUWFJFHSA-N 1 1 465.335 4.464 20 0 JIADMO CC(C)C(=O)N1CCC[C@]12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001165008030 721726620 /nfs/dbraw/zinc/72/66/20/721726620.db2.gz IVQYILXFKWJXST-AREMUKBSSA-N 1 1 467.683 4.393 20 0 JIADMO CC(C)n1cnc2c1nc(Cl)nc2N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910687 721757984 /nfs/dbraw/zinc/75/79/84/721757984.db2.gz PXOFYTNWFBKHTJ-UHFFFAOYSA-N 1 1 451.962 4.243 20 0 JIADMO CC(C)n1cnc2c1nc(Cl)nc2N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910687 721757990 /nfs/dbraw/zinc/75/79/90/721757990.db2.gz PXOFYTNWFBKHTJ-UHFFFAOYSA-N 1 1 451.962 4.243 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)C[C@H]21 ZINC001165026893 721805055 /nfs/dbraw/zinc/80/50/55/721805055.db2.gz SCJXRCDHBQKTPT-UEVCKROQSA-N 1 1 468.045 4.493 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC001164917760 721806810 /nfs/dbraw/zinc/80/68/10/721806810.db2.gz YBEGXFJEBWQXTA-NBGIEHNGSA-N 1 1 467.639 4.362 20 0 JIADMO c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)n1 ZINC001164918612 721809474 /nfs/dbraw/zinc/80/94/74/721809474.db2.gz RWFOHIGYDWUEOW-CAKYRVLISA-N 1 1 476.646 4.297 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3ncn4[C@H]3CCCCO3)C[C@H]21 ZINC001165026210 721811540 /nfs/dbraw/zinc/81/15/40/721811540.db2.gz PNSLRNHIUPPEFR-CWJKEVGVSA-N 1 1 482.032 4.311 20 0 JIADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020798 721812877 /nfs/dbraw/zinc/81/28/77/721812877.db2.gz DCJSKYHBONVAMM-RBDMOPTHSA-N 1 1 465.985 4.202 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(C(=O)N4CCCCC4)cc3Cl)C[C@@H]21 ZINC001165030153 721825125 /nfs/dbraw/zinc/82/51/25/721825125.db2.gz YBLZAVSDRYUXNZ-WNOPAQSVSA-N 1 1 468.045 4.493 20 0 JIADMO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001165025700 721828448 /nfs/dbraw/zinc/82/84/48/721828448.db2.gz NNGFPICYFYTEHP-OEMFJLHTSA-N 1 1 456.594 4.169 20 0 JIADMO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)c(OC)c1OC ZINC001165018860 721828485 /nfs/dbraw/zinc/82/84/85/721828485.db2.gz AMGPKPVPRLXHTL-APTRMMRNSA-N 1 1 489.620 4.301 20 0 JIADMO CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cnc1Cl ZINC001165026748 721832326 /nfs/dbraw/zinc/83/23/26/721832326.db2.gz PZAXOZNFQFCDEN-FFZOFVMBSA-N 1 1 499.027 4.205 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)n1 ZINC001164925685 721836693 /nfs/dbraw/zinc/83/66/93/721836693.db2.gz PHOIRVQZUZXBDN-IBVKSMDESA-N 1 1 495.697 4.204 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)n1 ZINC001164926787 721840315 /nfs/dbraw/zinc/84/03/15/721840315.db2.gz RZWCPCDAVQHVGR-IBVKSMDESA-N 1 1 481.666 4.215 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[C@H]5[C@H]4CCC(=O)N5C)c23)C1 ZINC001164934345 721893388 /nfs/dbraw/zinc/89/33/88/721893388.db2.gz PIXCHBDTYFMXAL-NZSAHSFTSA-N 1 1 453.656 4.002 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCn4cnc(COc5cccnc5)c4C3)c2c1C ZINC001164950294 721998402 /nfs/dbraw/zinc/99/84/02/721998402.db2.gz HDNCTVNTSFEOBR-UHFFFAOYSA-N 1 1 489.649 4.485 20 0 JIADMO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952812 722014668 /nfs/dbraw/zinc/01/46/68/722014668.db2.gz CDCKNOQBKLKVPL-UHFFFAOYSA-N 1 1 462.976 4.163 20 0 JIADMO Fc1cccc(Oc2nc(Cl)nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)c1 ZINC001164955666 722019163 /nfs/dbraw/zinc/01/91/63/722019163.db2.gz MNVHZRXQXNHZEA-UHFFFAOYSA-N 1 1 454.937 4.344 20 0 JIADMO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955227 722019728 /nfs/dbraw/zinc/01/97/28/722019728.db2.gz ASLXHHSTHYBYSY-UHFFFAOYSA-N 1 1 481.641 4.245 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CCN(C(=O)c4ccco4)[C@H]3C2)n1 ZINC001164960762 722048129 /nfs/dbraw/zinc/04/81/29/722048129.db2.gz WJWLCSSEGRGZRE-MSOLQXFVSA-N 1 1 453.612 4.094 20 0 JIADMO O=C(c1ccco1)N1CC[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164960808 722048279 /nfs/dbraw/zinc/04/82/79/722048279.db2.gz WYCKJSQNRMQVFN-PKOBYXMFSA-N 1 1 477.634 4.110 20 0 JIADMO O=C(c1ccco1)N1CC[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164959187 722048543 /nfs/dbraw/zinc/04/85/43/722048543.db2.gz PVIBJGQZCPEFNM-MJGOQNOKSA-N 1 1 477.634 4.110 20 0 JIADMO FC(F)(c1cnc(Cl)c(Cl)c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959522 722052239 /nfs/dbraw/zinc/05/22/39/722052239.db2.gz LWPANYUDAKAYRM-UHFFFAOYSA-N 1 1 457.352 4.447 20 0 JIADMO 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Cc1cccc(-c2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C2CCCCC2)n1 ZINC001492510197 1066340213 /nfs/dbraw/zinc/34/02/13/1066340213.db2.gz JYSMPKMIICTIEF-JOCHJYFZSA-N 1 1 497.688 4.359 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CC3(CCCC3)c3cc(Br)ccc32)cn1 ZINC001330140022 1066346857 /nfs/dbraw/zinc/34/68/57/1066346857.db2.gz IWTNDBJEBDGVFW-OALUTQOASA-N 1 1 457.416 4.077 20 0 JIADMO CSCCCCn1c(-c2cc3ccccc3o2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001316463905 1066362230 /nfs/dbraw/zinc/36/22/30/1066362230.db2.gz XYWJJRNCEBJTLP-UHFFFAOYSA-N 1 1 457.644 4.382 20 0 JIADMO CSCCCCn1c(-c2cc3ccccc3o2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001316463905 1066362242 /nfs/dbraw/zinc/36/22/42/1066362242.db2.gz XYWJJRNCEBJTLP-UHFFFAOYSA-N 1 1 457.644 4.382 20 0 JIADMO CSCCCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001316466350 1066369230 /nfs/dbraw/zinc/36/92/30/1066369230.db2.gz QEEXJSMFQWNVIT-INIZCTEOSA-N 1 1 475.460 4.356 20 0 JIADMO CSCCCn1c(-c2ccccc2Br)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001316472595 1066380823 /nfs/dbraw/zinc/38/08/23/1066380823.db2.gz CTXPZRUTUXLVAP-HZPDHXFCSA-N 1 1 450.450 4.134 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3ncc(Cc4cc(F)cc(F)c4)s3)c2)CC1 ZINC001333806809 1066391114 /nfs/dbraw/zinc/39/11/14/1066391114.db2.gz UZALSDVUMNUVPN-UHFFFAOYSA-N 1 1 471.577 4.081 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)CCOc3cc(Cl)ccc3Cl)C2)ccn1 ZINC001334602243 1066397551 /nfs/dbraw/zinc/39/75/51/1066397551.db2.gz FFRGWTJZNASQDQ-LJQANCHMSA-N 1 1 452.382 4.289 20 0 JIADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C(F)(F)F ZINC001316486492 1066407647 /nfs/dbraw/zinc/40/76/47/1066407647.db2.gz BZTUAQQSLKSBSI-VQIMIIECSA-N 1 1 484.998 4.259 20 0 JIADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H]1C(F)(F)F ZINC001316486492 1066407657 /nfs/dbraw/zinc/40/76/57/1066407657.db2.gz BZTUAQQSLKSBSI-VQIMIIECSA-N 1 1 484.998 4.259 20 0 JIADMO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H]1C(F)(F)F ZINC001316486492 1066407674 /nfs/dbraw/zinc/40/76/74/1066407674.db2.gz BZTUAQQSLKSBSI-VQIMIIECSA-N 1 1 484.998 4.259 20 0 JIADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C(F)(F)F ZINC001316487190 1066409767 /nfs/dbraw/zinc/40/97/67/1066409767.db2.gz IFMSVCVJDUFOCJ-YLJYHZDGSA-N 1 1 465.564 4.091 20 0 JIADMO C[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)C[C@@H]1F ZINC001316491844 1066428055 /nfs/dbraw/zinc/42/80/55/1066428055.db2.gz ISTDLEPYDCKZKT-BKULYWANSA-N 1 1 487.664 4.186 20 0 JIADMO Cc1cccc(CCn2c(CC(C)(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC001492530299 1066447173 /nfs/dbraw/zinc/44/71/73/1066447173.db2.gz AZSDWLYSUNSFLW-SZPZYZBQSA-N 1 1 468.690 4.138 20 0 JIADMO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001337164252 1066461797 /nfs/dbraw/zinc/46/17/97/1066461797.db2.gz IAZLUQPKRBDGQT-UHFFFAOYSA-N 1 1 473.411 4.464 20 0 JIADMO COc1ccc(Br)cc1C(=O)CCC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001337164252 1066461832 /nfs/dbraw/zinc/46/18/32/1066461832.db2.gz IAZLUQPKRBDGQT-UHFFFAOYSA-N 1 1 473.411 4.464 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccccc3F)n2CCOC2CCCCCC2)C[C@H](C)O1 ZINC001316503469 1066469711 /nfs/dbraw/zinc/46/97/11/1066469711.db2.gz PWUMWEYOKFJJGQ-SZPZYZBQSA-N 1 1 487.664 4.293 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccccc3F)n2CCOC2CCCCCC2)C[C@H](C)O1 ZINC001316503469 1066469730 /nfs/dbraw/zinc/46/97/30/1066469730.db2.gz PWUMWEYOKFJJGQ-SZPZYZBQSA-N 1 1 487.664 4.293 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCCC(F)(F)C2)C[C@H](C)O1 ZINC001316503479 1066469884 /nfs/dbraw/zinc/46/98/84/1066469884.db2.gz QEWJJWOYOMUBPY-JSXRDJHFSA-N 1 1 469.621 4.281 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCCC(F)(F)C2)C[C@H](C)O1 ZINC001316503479 1066469895 /nfs/dbraw/zinc/46/98/95/1066469895.db2.gz QEWJJWOYOMUBPY-JSXRDJHFSA-N 1 1 469.621 4.281 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccn3)n2Cc2cccc(COC(C)(C)C)c2)C[C@H](C)O1 ZINC001316503834 1066471433 /nfs/dbraw/zinc/47/14/33/1066471433.db2.gz PRNFDVVHFXPASP-SZPZYZBQSA-N 1 1 492.668 4.249 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccn3)n2Cc2cccc(COC(C)(C)C)c2)C[C@H](C)O1 ZINC001316503834 1066471445 /nfs/dbraw/zinc/47/14/45/1066471445.db2.gz PRNFDVVHFXPASP-SZPZYZBQSA-N 1 1 492.668 4.249 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Br)cc3)n2CCOC(C)(C)C)C[C@H](C)O1 ZINC001316503805 1066471491 /nfs/dbraw/zinc/47/14/91/1066471491.db2.gz OUKUAFGBSONLFX-HDICACEKSA-N 1 1 494.478 4.068 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Br)cc3)n2CCOC(C)(C)C)C[C@H](C)O1 ZINC001316503805 1066471503 /nfs/dbraw/zinc/47/15/03/1066471503.db2.gz OUKUAFGBSONLFX-HDICACEKSA-N 1 1 494.478 4.068 20 0 JIADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(CCCc2ccccc2)n1CCCOC(F)(F)F ZINC001316504020 1066473396 /nfs/dbraw/zinc/47/33/96/1066473396.db2.gz GLQNQHRKDJXXGT-FQEVSTJZSA-N 1 1 495.590 4.069 20 0 JIADMO Cc1ccc(NC(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001337900082 1066518912 /nfs/dbraw/zinc/51/89/12/1066518912.db2.gz CDWACAAQZHYYPT-UHFFFAOYSA-N 1 1 497.397 4.015 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)C1 ZINC001337983287 1066523793 /nfs/dbraw/zinc/52/37/93/1066523793.db2.gz UDJUHQBELABKGU-QGZVFWFLSA-N 1 1 484.449 4.185 20 0 JIADMO Cc1cccc(CN(Cc2ccco2)c2nnc(C(C)(C)C)n2CCC[NH+]2CCOCC2)c1 ZINC001492532345 1066541867 /nfs/dbraw/zinc/54/18/67/1066541867.db2.gz SBRKOZZSJCSWQD-UHFFFAOYSA-N 1 1 451.615 4.406 20 0 JIADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)Nc3nc4c(s3)C[C@H](C)CC4)CC2)c1C ZINC001338539165 1066562444 /nfs/dbraw/zinc/56/24/44/1066562444.db2.gz SUWGDWUAXMUJME-OAHLLOKOSA-N 1 1 457.644 4.417 20 0 JIADMO Cc1cccc(NC2CCN(c3nnc(CC(C)C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001492536755 1066591345 /nfs/dbraw/zinc/59/13/45/1066591345.db2.gz HORYYQIVRYJKSL-ZRZAMGCNSA-N 1 1 468.690 4.365 20 0 JIADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)C1 ZINC001342539211 1066597548 /nfs/dbraw/zinc/59/75/48/1066597548.db2.gz SVZGDVSJGDPMHL-QFIPXVFZSA-N 1 1 450.535 4.128 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)Cc3nccs3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001492538512 1066616516 /nfs/dbraw/zinc/61/65/16/1066616516.db2.gz HSAZKJBBTPLGEH-FQEVSTJZSA-N 1 1 454.644 4.379 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492541566 1066649218 /nfs/dbraw/zinc/64/92/18/1066649218.db2.gz HERMDCXXHYVNEO-LADGPHEKSA-N 1 1 469.674 4.395 20 0 JIADMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC001317743068 1066660974 /nfs/dbraw/zinc/66/09/74/1066660974.db2.gz FBPVAVRGYVIRCT-IBGZPJMESA-N 1 1 496.633 4.209 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(n4cc(Cl)cn4)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001492543404 1066668161 /nfs/dbraw/zinc/66/81/61/1066668161.db2.gz KYBLHHBQJQBFBY-UHFFFAOYSA-N 1 1 472.037 4.197 20 0 JIADMO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001348123945 1066722290 /nfs/dbraw/zinc/72/22/90/1066722290.db2.gz VBCXVRHHLCLVDK-HNNXBMFYSA-N 1 1 459.812 4.021 20 0 JIADMO CCOC(=O)c1ccn(-c2cccc(NC(=O)NC3CC[NH+](Cc4ccc(F)c(F)c4)CC3)c2)n1 ZINC001317871372 1066745765 /nfs/dbraw/zinc/74/57/65/1066745765.db2.gz LSBYMZIPCLETBE-UHFFFAOYSA-N 1 1 483.519 4.113 20 0 JIADMO CCc1ccc([C@H](NC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c2cccc(F)c2)cc1 ZINC001317898583 1066768499 /nfs/dbraw/zinc/76/84/99/1066768499.db2.gz CEEICQHDRCKDNL-MHZLTWQESA-N 1 1 488.607 4.365 20 0 JIADMO COc1cccc(NC(=O)[C@@H]([NH2+]CCNC(=O)c2ccccc2C(F)(F)F)c2ccccc2)c1 ZINC001317899313 1066769678 /nfs/dbraw/zinc/76/96/78/1066769678.db2.gz QFVKTPLSJWJBFI-QFIPXVFZSA-N 1 1 471.479 4.413 20 0 JIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC001317917036 1066785454 /nfs/dbraw/zinc/78/54/54/1066785454.db2.gz MHBZSONNOLCMLH-KRWDZBQOSA-N 1 1 453.425 4.062 20 0 JIADMO C[C@H](C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001348920866 1066789884 /nfs/dbraw/zinc/78/98/84/1066789884.db2.gz VGZVNUAVKINHSU-IBGZPJMESA-N 1 1 457.640 4.444 20 0 JIADMO CC(C)(C)[NH+]1CCN(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)CC1 ZINC001317981118 1066830338 /nfs/dbraw/zinc/83/03/38/1066830338.db2.gz RAOAOJTYLUMYIV-UHFFFAOYSA-N 1 1 453.587 4.108 20 0 JIADMO COc1cccc(N2CCC(NC(=O)NCc3ccccc3C[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001318027564 1066859144 /nfs/dbraw/zinc/85/91/44/1066859144.db2.gz KWNOGWJPYSBOLH-NRFANRHFSA-N 1 1 450.627 4.395 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)C1 ZINC001318084327 1066891962 /nfs/dbraw/zinc/89/19/62/1066891962.db2.gz XJANOKPPVBCOSW-UDZXTKBFSA-N 1 1 463.622 4.336 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)C1 ZINC001318084321 1066892034 /nfs/dbraw/zinc/89/20/34/1066892034.db2.gz XJANOKPPVBCOSW-FZBZCGEPSA-N 1 1 463.622 4.336 20 0 JIADMO C[NH+](C)[C@@H](C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC001349893751 1066892239 /nfs/dbraw/zinc/89/22/39/1066892239.db2.gz LTKNSTUYQSQNSL-LJQANCHMSA-N 1 1 454.785 4.234 20 0 JIADMO O=C(CSc1ccccc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1)NC12CC3CC(CC(C3)C1)C2 ZINC001318102895 1066900356 /nfs/dbraw/zinc/90/03/56/1066900356.db2.gz OUEOSEWLAVIVMV-IARNNAAMSA-N 1 1 467.679 4.174 20 0 JIADMO COc1cc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc(Br)c1OC ZINC001318103843 1066900819 /nfs/dbraw/zinc/90/08/19/1066900819.db2.gz DEXSXZGAGJJCQQ-UHFFFAOYSA-N 1 1 476.415 4.192 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC001350017970 1066906577 /nfs/dbraw/zinc/90/65/77/1066906577.db2.gz KBWYRIAPFWLFHH-HZPDHXFCSA-N 1 1 467.517 4.381 20 0 JIADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cc(C)nc4c3cnn4Cc3ccc(C)cc3)cc2)CC1 ZINC001318124049 1066911689 /nfs/dbraw/zinc/91/16/89/1066911689.db2.gz SGXIWPACDUNMFA-UHFFFAOYSA-N 1 1 496.615 4.126 20 0 JIADMO CCc1nn(C)c(CC)c1CC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC001350116273 1066920554 /nfs/dbraw/zinc/92/05/54/1066920554.db2.gz XYXLELASMHJKKI-UHFFFAOYSA-N 1 1 459.638 4.044 20 0 JIADMO Cc1cc(C[N@H+]2CCCN(c3nc(CN(C)C)nc4scc(-c5ccccc5)c43)CC2)no1 ZINC001318141589 1066920879 /nfs/dbraw/zinc/92/08/79/1066920879.db2.gz YOUCNVVTBYQHKC-UHFFFAOYSA-N 1 1 462.623 4.429 20 0 JIADMO Cc1cc(C[N@@H+]2CCCN(c3nc(CN(C)C)nc4scc(-c5ccccc5)c43)CC2)no1 ZINC001318141589 1066920891 /nfs/dbraw/zinc/92/08/91/1066920891.db2.gz YOUCNVVTBYQHKC-UHFFFAOYSA-N 1 1 462.623 4.429 20 0 JIADMO COc1cccc(N2CCC(NC(=O)N3CCC[N@@H+](CCCc4ccccc4)CC3)CC2)c1 ZINC001318147761 1066925204 /nfs/dbraw/zinc/92/52/04/1066925204.db2.gz MKNDGRFRIPJLDU-UHFFFAOYSA-N 1 1 450.627 4.014 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001318156307 1066928580 /nfs/dbraw/zinc/92/85/80/1066928580.db2.gz MOWJEJDERLCFDL-FYYLOGMGSA-N 1 1 458.647 4.248 20 0 JIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)c1 ZINC001350384860 1066951362 /nfs/dbraw/zinc/95/13/62/1066951362.db2.gz CHYFKEMZKIKOEE-OAHLLOKOSA-N 1 1 452.530 4.121 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)c1 ZINC001350384860 1066951369 /nfs/dbraw/zinc/95/13/69/1066951369.db2.gz CHYFKEMZKIKOEE-OAHLLOKOSA-N 1 1 452.530 4.121 20 0 JIADMO COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC001318205531 1066957891 /nfs/dbraw/zinc/95/78/91/1066957891.db2.gz JRMXYJOFZKKSCV-SFHVURJKSA-N 1 1 472.383 4.020 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC001318213884 1066963017 /nfs/dbraw/zinc/96/30/17/1066963017.db2.gz MBOUGFZZVDJBJF-UHFFFAOYSA-N 1 1 470.577 4.237 20 0 JIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001318214134 1066963384 /nfs/dbraw/zinc/96/33/84/1066963384.db2.gz BLEFIZNPTBXLCG-HXUWFJFHSA-N 1 1 458.587 4.065 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3S(=O)(=O)N(C)c3ccccc3)CC2)cc1 ZINC001318217159 1066965754 /nfs/dbraw/zinc/96/57/54/1066965754.db2.gz YZRSXTAKYNRBAK-UHFFFAOYSA-N 1 1 477.630 4.168 20 0 JIADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001350564299 1066972146 /nfs/dbraw/zinc/97/21/46/1066972146.db2.gz MTLQPVFDLSZCSN-WIYYLYMNSA-N 1 1 457.640 4.467 20 0 JIADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001350564299 1066972155 /nfs/dbraw/zinc/97/21/55/1066972155.db2.gz MTLQPVFDLSZCSN-WIYYLYMNSA-N 1 1 457.640 4.467 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1ccccc1I ZINC001318229687 1066973587 /nfs/dbraw/zinc/97/35/87/1066973587.db2.gz KOALYWZKNLWWFG-UHFFFAOYSA-N 1 1 460.319 4.406 20 0 JIADMO Cc1[nH+]ccn1CCCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001492547831 1066973484 /nfs/dbraw/zinc/97/34/84/1066973484.db2.gz KWYPQIXRQIKXSQ-QHCPKHFHSA-N 1 1 452.603 4.012 20 0 JIADMO 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O=S(=O)(c1ccc(Cl)c2ccccc21)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001200106478 1067631058 /nfs/dbraw/zinc/63/10/58/1067631058.db2.gz MMJFSKMSLNXNGG-UHFFFAOYSA-N 1 1 486.037 4.192 20 0 JIADMO O=S(=O)(c1ccc(Cl)c2ccccc21)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001200106478 1067631063 /nfs/dbraw/zinc/63/10/63/1067631063.db2.gz MMJFSKMSLNXNGG-UHFFFAOYSA-N 1 1 486.037 4.192 20 0 JIADMO 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 1067637473 /nfs/dbraw/zinc/63/74/73/1067637473.db2.gz KLQMAMKBCRUDHK-JRAXSAEOSA-N 1 1 477.649 4.101 20 0 JIADMO CC(C)(C)n1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)c1=O ZINC001356024553 1067637551 /nfs/dbraw/zinc/63/75/51/1067637551.db2.gz YFYNAUGOCCPLLM-UHFFFAOYSA-N 1 1 453.583 4.429 20 0 JIADMO COc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1OC ZINC001300090545 1067646517 /nfs/dbraw/zinc/64/65/17/1067646517.db2.gz WHMGMZOQOWWSBK-UTKZUKDTSA-N 1 1 459.660 4.024 20 0 JIADMO COc1ccc([C@H]2CCCN2c2nnc(C(C)(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001300094362 1067656699 /nfs/dbraw/zinc/65/66/99/1067656699.db2.gz KSOCENOLRVWIHT-DHIUTWEWSA-N 1 1 455.647 4.283 20 0 JIADMO COc1ccc([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+](C)C3CCCCC3)C2)cc1 ZINC001300096517 1067661352 /nfs/dbraw/zinc/66/13/52/1067661352.db2.gz KIELNUYMTILFDK-QFIPXVFZSA-N 1 1 482.673 4.073 20 0 JIADMO COc1ccc([C@H]2CCCN2c2nnc([C@@H]3CCCCO3)n2CC[N@@H+](C)C(C)C)c(OC)c1 ZINC001300097402 1067663746 /nfs/dbraw/zinc/66/37/46/1067663746.db2.gz BIVKRXJMCSWIQK-YADHBBJMSA-N 1 1 457.619 4.219 20 0 JIADMO CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)NC[C@@]34CC[N@@H+](C3)CCC4)cs2)cc1 ZINC001300104025 1067685907 /nfs/dbraw/zinc/68/59/07/1067685907.db2.gz NFAHQNROWBJBIL-XMMPIXPASA-N 1 1 456.612 4.297 20 0 JIADMO COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)Nc1ccc([C@H](C)[NH+]3CCOCC3)cc1)CCC2 ZINC001200128865 1067709636 /nfs/dbraw/zinc/70/96/36/1067709636.db2.gz JJYKWQZTFCNSCM-PGRDOPGGSA-N 1 1 451.567 4.108 20 0 JIADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3ccc(-c4ccc(C)nn4)cc3)CC2)c1C ZINC001352780618 1067716752 /nfs/dbraw/zinc/71/67/52/1067716752.db2.gz NZCVOKUEEWJOJZ-UHFFFAOYSA-N 1 1 459.594 4.209 20 0 JIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc(I)c(F)cc2F)C1 ZINC001356327156 1067724995 /nfs/dbraw/zinc/72/49/95/1067724995.db2.gz DEXASMMRLXOYGX-JSGCOSHPSA-N 1 1 456.274 4.135 20 0 JIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2c(C(F)F)nc3ccccn32)c1 ZINC001356363109 1067736092 /nfs/dbraw/zinc/73/60/92/1067736092.db2.gz FAYJZWCPDJCWLB-AWEZNQCLSA-N 1 1 459.472 4.476 20 0 JIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2c(C(F)F)nc3ccccn32)c1 ZINC001356363109 1067736101 /nfs/dbraw/zinc/73/61/01/1067736101.db2.gz FAYJZWCPDJCWLB-AWEZNQCLSA-N 1 1 459.472 4.476 20 0 JIADMO COc1cc(C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)c2ccccc2n1 ZINC001356377702 1067738905 /nfs/dbraw/zinc/73/89/05/1067738905.db2.gz HMLRPKCJAKEFQG-MRXNPFEDSA-N 1 1 450.514 4.448 20 0 JIADMO COc1cc(C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)c2ccccc2n1 ZINC001356377702 1067738916 /nfs/dbraw/zinc/73/89/16/1067738916.db2.gz HMLRPKCJAKEFQG-MRXNPFEDSA-N 1 1 450.514 4.448 20 0 JIADMO Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC001356377187 1067738996 /nfs/dbraw/zinc/73/89/96/1067738996.db2.gz CNEPCEACQJYESB-MRXNPFEDSA-N 1 1 455.578 4.043 20 0 JIADMO Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC001356377187 1067739004 /nfs/dbraw/zinc/73/90/04/1067739004.db2.gz CNEPCEACQJYESB-MRXNPFEDSA-N 1 1 455.578 4.043 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001300122756 1067742141 /nfs/dbraw/zinc/74/21/41/1067742141.db2.gz JBUABMKJOKGXDD-VXKWHMMOSA-N 1 1 469.674 4.196 20 0 JIADMO COc1ccc(CCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001300126270 1067753259 /nfs/dbraw/zinc/75/32/59/1067753259.db2.gz QXSAPUPFTPIPSF-NOZRDPDXSA-N 1 1 483.701 4.444 20 0 JIADMO Cc1ccc(NC(=S)N2CCC[C@]3(C2)COCC[N@H+](Cc2ccccn2)C3)c(Br)c1 ZINC001200146708 1067755218 /nfs/dbraw/zinc/75/52/18/1067755218.db2.gz WFCWOYSZIXHJBS-QHCPKHFHSA-N 1 1 489.483 4.464 20 0 JIADMO Cc1ccc(NC(=S)N2CCC[C@]3(C2)COCC[N@@H+](Cc2ccccn2)C3)c(Br)c1 ZINC001200146708 1067755236 /nfs/dbraw/zinc/75/52/36/1067755236.db2.gz WFCWOYSZIXHJBS-QHCPKHFHSA-N 1 1 489.483 4.464 20 0 JIADMO O=C(NCc1csc(Br)c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001356474137 1067759737 /nfs/dbraw/zinc/75/97/37/1067759737.db2.gz HJQICHPLRBMRLJ-VQTJNVASSA-N 1 1 456.409 4.438 20 0 JIADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001356475482 1067760145 /nfs/dbraw/zinc/76/01/45/1067760145.db2.gz RGGCTIXHCNVIII-ZRJLEYOISA-N 1 1 467.629 4.110 20 0 JIADMO CCn1c(SCC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nnc1-c1ccco1 ZINC001356493817 1067764172 /nfs/dbraw/zinc/76/41/72/1067764172.db2.gz COELTFMKVWEDAN-QUCCMNQESA-N 1 1 453.612 4.067 20 0 JIADMO C[C@@H]1C[C@H](CCNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC001356503060 1067765887 /nfs/dbraw/zinc/76/58/87/1067765887.db2.gz RJCIIIGOSFQNKF-AEFFLSMTSA-N 1 1 454.514 4.011 20 0 JIADMO Cc1ccc(NC(=S)NCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1 ZINC001200150753 1067766926 /nfs/dbraw/zinc/76/69/26/1067766926.db2.gz DWQWBABERHRTKY-UHFFFAOYSA-N 1 1 485.492 4.377 20 0 JIADMO C[C@@H]1C[N@H+](CC2CCN(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)CC2)C[C@H](C)O1 ZINC000481532410 1067802880 /nfs/dbraw/zinc/80/28/80/1067802880.db2.gz JLCNRIHVYIAYDS-GASCZTMLSA-N 1 1 450.008 4.212 20 0 JIADMO C[N@@H+](CCN1CCN(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)CC1)Cc1ccccc1 ZINC001200175473 1067809970 /nfs/dbraw/zinc/80/99/70/1067809970.db2.gz VTODZRSADNYUGP-UHFFFAOYSA-N 1 1 456.034 4.222 20 0 JIADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3c(F)ccc(SCC4CC4)c3F)cc2)CC1 ZINC001357175295 1067814048 /nfs/dbraw/zinc/81/40/48/1067814048.db2.gz IIUAOFKEMHGWOS-UHFFFAOYSA-N 1 1 459.562 4.036 20 0 JIADMO COc1ccc(CCn2c(N3CCC[N@H+](C(C)(C)C)CC3)nnc2C(C)(C)C)c(OC)c1OC ZINC001300158275 1067814440 /nfs/dbraw/zinc/81/44/40/1067814440.db2.gz PZJRFWXUERQUAK-UHFFFAOYSA-N 1 1 473.662 4.155 20 0 JIADMO CCc1nc2ccc(Cl)cn2c1C(=O)N(C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300161880 1067816818 /nfs/dbraw/zinc/81/68/18/1067816818.db2.gz BFYBUYBLMOKUHO-HDICACEKSA-N 1 1 455.002 4.432 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CC[N@@H+](C)C2CCCCC2)cc1F ZINC001300162317 1067817429 /nfs/dbraw/zinc/81/74/29/1067817429.db2.gz JHNZLYKBYVLMFU-UHFFFAOYSA-N 1 1 452.578 4.389 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1O ZINC001300162939 1067819070 /nfs/dbraw/zinc/81/90/70/1067819070.db2.gz VPBMIKIWOQNBSE-LJQANCHMSA-N 1 1 485.032 4.465 20 0 JIADMO Cc1c(Br)cccc1CC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC001357283514 1067830448 /nfs/dbraw/zinc/83/04/48/1067830448.db2.gz BNPIZQXSCBSREO-UHFFFAOYSA-N 1 1 456.384 4.226 20 0 JIADMO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1F ZINC001300172133 1067831481 /nfs/dbraw/zinc/83/14/81/1067831481.db2.gz FUVDYHWFJWWFOC-IBGZPJMESA-N 1 1 461.626 4.152 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300176469 1067836573 /nfs/dbraw/zinc/83/65/73/1067836573.db2.gz UQZKOVFTKABGCP-RTWAWAEBSA-N 1 1 478.641 4.038 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC001300179326 1067841347 /nfs/dbraw/zinc/84/13/47/1067841347.db2.gz PIOWNPHYQOGSSS-ISKFKSNPSA-N 1 1 499.700 4.261 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)cc1C ZINC001300179326 1067841350 /nfs/dbraw/zinc/84/13/50/1067841350.db2.gz PIOWNPHYQOGSSS-ISKFKSNPSA-N 1 1 499.700 4.261 20 0 JIADMO COc1ccc(Cn2c(C(C)C)nnc2N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(OC)c1 ZINC001300186938 1067850444 /nfs/dbraw/zinc/85/04/44/1067850444.db2.gz JGZZJVOBUFKKCX-SFHVURJKSA-N 1 1 455.628 4.412 20 0 JIADMO C[C@H](COc1ccc(F)cc1F)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001357488817 1067858018 /nfs/dbraw/zinc/85/80/18/1067858018.db2.gz QPSNVMUNPGOVDR-YFXJRYMSSA-N 1 1 451.517 4.159 20 0 JIADMO Cc1cc(Br)cc(C)c1NC(=S)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001200222584 1067865646 /nfs/dbraw/zinc/86/56/46/1067865646.db2.gz TUORWILKWLTZSU-GJZGRUSLSA-N 1 1 451.459 4.283 20 0 JIADMO O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC001473291575 1067875112 /nfs/dbraw/zinc/87/51/12/1067875112.db2.gz HFEGGURAXWCBCU-ZJOUEHCJSA-N 1 1 456.327 4.055 20 0 JIADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)cc1)C[C@@H]1CCCCO1 ZINC001357599596 1067876047 /nfs/dbraw/zinc/87/60/47/1067876047.db2.gz QOCZPCWPUWUAKZ-ZRBLBEILSA-N 1 1 475.630 4.087 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(-c4cccc(Cl)c4F)no3)cc2)C1 ZINC001357645645 1067881853 /nfs/dbraw/zinc/88/18/53/1067881853.db2.gz PVWMJWVUPJPZNR-OAHLLOKOSA-N 1 1 456.905 4.084 20 0 JIADMO 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4.368 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC2(c3cccc(Br)c3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849504677 1069084403 /nfs/dbraw/zinc/08/44/03/1069084403.db2.gz DJHFJYRKPBPERV-YADHBBJMSA-N 1 1 473.459 4.235 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)cn1 ZINC000849507345 1069087953 /nfs/dbraw/zinc/08/79/53/1069087953.db2.gz ZBSBMJVSZGQNEF-IKGGRYGDSA-N 1 1 453.439 4.380 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849507756 1069088993 /nfs/dbraw/zinc/08/89/93/1069088993.db2.gz SNJQQQCOTPFOPR-RBUKOAKNSA-N 1 1 469.973 4.371 20 0 JIADMO CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849509419 1069090797 /nfs/dbraw/zinc/09/07/97/1069090797.db2.gz YIDOAKQNGIFOMO-FGZHOGPDSA-N 1 1 461.448 4.434 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)[C@H](c2cnn(C)c2)C1 ZINC000849510069 1069091770 /nfs/dbraw/zinc/09/17/70/1069091770.db2.gz OHKOTANYXDSNFP-PMACEKPBSA-N 1 1 459.566 4.198 20 0 JIADMO Cc1nnc(Sc2ccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)c(C)c2)s1 ZINC000849513578 1069098141 /nfs/dbraw/zinc/09/81/41/1069098141.db2.gz CMRCMGWVQBWVAR-WOJBJXKFSA-N 1 1 470.668 4.492 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849514908 1069099750 /nfs/dbraw/zinc/09/97/50/1069099750.db2.gz JRVQJOTZBMOKQU-DQEYMECFSA-N 1 1 496.633 4.069 20 0 JIADMO COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1OC ZINC000849516218 1069101662 /nfs/dbraw/zinc/10/16/62/1069101662.db2.gz ORYKWJASEVTVPZ-SDHOMARFSA-N 1 1 482.669 4.265 20 0 JIADMO 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 1069101822 /nfs/dbraw/zinc/10/18/22/1069101822.db2.gz NCJCBAMMQQEKDD-VJBMBRPKSA-N 1 1 497.043 4.344 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCOC(C)(C)[C@@H]2C)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001300576690 1069102072 /nfs/dbraw/zinc/10/20/72/1069102072.db2.gz KJGRUTZAAVVIBY-FQEVSTJZSA-N 1 1 455.647 4.003 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cn1 ZINC000849516692 1069104192 /nfs/dbraw/zinc/10/41/92/1069104192.db2.gz ABPCVSXYEXCAQT-YADHBBJMSA-N 1 1 485.510 4.365 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2N2CCSCC2)[C@H](c2cnn(C)c2)C1 ZINC000849518065 1069105335 /nfs/dbraw/zinc/10/53/35/1069105335.db2.gz NFTOOACCYVOWHQ-PMACEKPBSA-N 1 1 462.063 4.079 20 0 JIADMO Cc1ccccc1-n1nc(-c2ccccc2)cc1NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849517852 1069107231 /nfs/dbraw/zinc/10/72/31/1069107231.db2.gz PIPMYIZILGYNCM-XZOQPEGZSA-N 1 1 454.578 4.255 20 0 JIADMO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)CCCn2cc[nH+]c2C)cc1F ZINC001300580031 1069111894 /nfs/dbraw/zinc/11/18/94/1069111894.db2.gz BAWGMOTWIJILJE-FPOVZHCZSA-N 1 1 474.577 4.029 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)[C@H](c2cnn(C)c2)C1 ZINC000849522376 1069114023 /nfs/dbraw/zinc/11/40/23/1069114023.db2.gz KUIPOBDMMFKVFQ-UNCTUWKVSA-N 1 1 472.633 4.465 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849522255 1069114467 /nfs/dbraw/zinc/11/44/67/1069114467.db2.gz KMYZYUONAFVIFA-PMACEKPBSA-N 1 1 452.628 4.050 20 0 JIADMO 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 1069114857 /nfs/dbraw/zinc/11/48/57/1069114857.db2.gz XFCAILSBIGFZLR-UOBOAIMASA-N 1 1 466.626 4.038 20 0 JIADMO CC[C@@H](c1nnc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)s1)c1ccccc1 ZINC000849521523 1069115920 /nfs/dbraw/zinc/11/59/20/1069115920.db2.gz FERBWRMNWBYQKZ-NJDAHSKKSA-N 1 1 452.628 4.266 20 0 JIADMO COC(=O)c1cc(Oc2ccccc2)ccc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849524896 1069118231 /nfs/dbraw/zinc/11/82/31/1069118231.db2.gz KOXXWQMBKSGMMK-UPVQGACJSA-N 1 1 476.577 4.452 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849524756 1069119388 /nfs/dbraw/zinc/11/93/88/1069119388.db2.gz KFGHQJIPGOJYIM-DSNGMDLFSA-N 1 1 472.077 4.058 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849527072 1069124555 /nfs/dbraw/zinc/12/45/55/1069124555.db2.gz UGSPAELEKOEOFM-VXKWHMMOSA-N 1 1 481.000 4.173 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849527145 1069124992 /nfs/dbraw/zinc/12/49/92/1069124992.db2.gz VDMFHEMCDKCLBQ-SFTDATJTSA-N 1 1 472.033 4.152 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)[C@@H](c2cnn(C)c2)C1 ZINC000849527949 1069127628 /nfs/dbraw/zinc/12/76/28/1069127628.db2.gz XWTSWYPYSMSDOP-XZOQPEGZSA-N 1 1 480.634 4.300 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cn1 ZINC000849527989 1069128290 /nfs/dbraw/zinc/12/82/90/1069128290.db2.gz YFWDARLABRMMBH-NXCFDTQHSA-N 1 1 471.605 4.071 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849535248 1069148028 /nfs/dbraw/zinc/14/80/28/1069148028.db2.gz OJWPCPVJYODWFO-JWQCQUIFSA-N 1 1 486.682 4.120 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849547141 1069182968 /nfs/dbraw/zinc/18/29/68/1069182968.db2.gz FQCBFLITDHDFOC-TZNXZYKKSA-N 1 1 464.635 4.181 20 0 JIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)cc1 ZINC001354403346 1069185163 /nfs/dbraw/zinc/18/51/63/1069185163.db2.gz GSUCFNLTIYADAC-UHFFFAOYSA-N 1 1 453.992 4.006 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc(-c3cccc(Oc4ccccc4)c3)ns2)cn1 ZINC000849548285 1069186238 /nfs/dbraw/zinc/18/62/38/1069186238.db2.gz MQJFQUMDFRQTSY-FGZHOGPDSA-N 1 1 474.590 4.405 20 0 JIADMO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)Cc1cccc(Br)c1 ZINC000849549007 1069187293 /nfs/dbraw/zinc/18/72/93/1069187293.db2.gz QAHINWMLFKSXJB-NMNUPHIUSA-N 1 1 475.475 4.382 20 0 JIADMO CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849548051 1069187317 /nfs/dbraw/zinc/18/73/17/1069187317.db2.gz KHVMGYVFBPGTSX-FPOVZHCZSA-N 1 1 485.032 4.376 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849549099 1069188217 /nfs/dbraw/zinc/18/82/17/1069188217.db2.gz RNVMNQNFRXYNCV-XIWHWFKQSA-N 1 1 478.662 4.322 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCc2ccccc2COc2ccccc2Cl)cn1 ZINC000849550390 1069189456 /nfs/dbraw/zinc/18/94/56/1069189456.db2.gz DFUVDMZULAHUSN-FCHUYYIVSA-N 1 1 452.986 4.004 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849550353 1069189643 /nfs/dbraw/zinc/18/96/43/1069189643.db2.gz ZFTIGGCBOXQRJP-DNQXCXABSA-N 1 1 456.656 4.285 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849550532 1069191802 /nfs/dbraw/zinc/19/18/02/1069191802.db2.gz ZFTIGGCBOXQRJP-RPWUZVMVSA-N 1 1 456.656 4.285 20 0 JIADMO COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849552375 1069192054 /nfs/dbraw/zinc/19/20/54/1069192054.db2.gz FBNRWLWOUPOLPU-IRLDBZIGSA-N 1 1 482.968 4.326 20 0 JIADMO CN(C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000849550537 1069192398 /nfs/dbraw/zinc/19/23/98/1069192398.db2.gz ZGGNWKCVCZTTKH-SFTDATJTSA-N 1 1 473.499 4.325 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC2(c3cccc(Br)c3)CCCCC2)cn1 ZINC000849552157 1069193122 /nfs/dbraw/zinc/19/31/22/1069193122.db2.gz HFEXGUSVKNYOKE-SFTDATJTSA-N 1 1 459.432 4.194 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849553228 1069196202 /nfs/dbraw/zinc/19/62/02/1069196202.db2.gz QJEVOAHAIIAFCQ-VXKWHMMOSA-N 1 1 473.459 4.187 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)cn1 ZINC000849554853 1069201067 /nfs/dbraw/zinc/20/10/67/1069201067.db2.gz WMTKWQSQDXKCSQ-HUUCEWRRSA-N 1 1 462.488 4.470 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)cn1 ZINC000849556168 1069201287 /nfs/dbraw/zinc/20/12/87/1069201287.db2.gz AORVFKLJTCSSHQ-PMACEKPBSA-N 1 1 493.409 4.400 20 0 JIADMO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)cn1 ZINC000849556168 1069201291 /nfs/dbraw/zinc/20/12/91/1069201291.db2.gz AORVFKLJTCSSHQ-PMACEKPBSA-N 1 1 493.409 4.400 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)cn1 ZINC000849556168 1069201300 /nfs/dbraw/zinc/20/13/00/1069201300.db2.gz AORVFKLJTCSSHQ-PMACEKPBSA-N 1 1 493.409 4.400 20 0 JIADMO COc1cccc([C@H](NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2cc(F)ccc2OC)c1 ZINC000849556951 1069203438 /nfs/dbraw/zinc/20/34/38/1069203438.db2.gz DQSKHYATRJOVFR-RMDSEJHCSA-N 1 1 494.611 4.296 20 0 JIADMO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)Oc1ccccc1C(F)(F)F ZINC000849557896 1069205345 /nfs/dbraw/zinc/20/53/45/1069205345.db2.gz JZGURNXDDYBUOC-VAMGGRTRSA-N 1 1 466.548 4.227 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)[C@@H](c2cnn(C)c2)C1 ZINC000849562358 1069210525 /nfs/dbraw/zinc/21/05/25/1069210525.db2.gz NLJOOVXBNOZYLC-IAGOWNOFSA-N 1 1 475.367 4.459 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cn1 ZINC000849561743 1069211062 /nfs/dbraw/zinc/21/10/62/1069211062.db2.gz KVDACUYOYUYLPC-PKTZIBPZSA-N 1 1 471.527 4.098 20 0 JIADMO 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 1069215547 /nfs/dbraw/zinc/21/55/47/1069215547.db2.gz QJEZJUATRATDKE-RYQLBKOJSA-N 1 1 469.577 4.116 20 0 JIADMO 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 ZINC000849565900 1069216368 /nfs/dbraw/zinc/21/63/68/1069216368.db2.gz XPPGHDFRHYOYRA-IEXUWNMDSA-N 1 1 483.657 4.136 20 0 JIADMO Cc1sc([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)nc1-c1ccc(Cl)cc1 ZINC000849565667 1069217166 /nfs/dbraw/zinc/21/71/66/1069217166.db2.gz ZJARUQUZZNOLTP-VHKYSDTDSA-N 1 1 458.031 4.418 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849567370 1069217813 /nfs/dbraw/zinc/21/78/13/1069217813.db2.gz GTNIICMPHAVXCF-BAGYTPMASA-N 1 1 459.034 4.205 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849568490 1069219655 /nfs/dbraw/zinc/21/96/55/1069219655.db2.gz NQELCJVGDSRKAG-SFTDATJTSA-N 1 1 490.530 4.016 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849568951 1069220390 /nfs/dbraw/zinc/22/03/90/1069220390.db2.gz QRCHQZAFVVJQSR-VSGBNLITSA-N 1 1 483.660 4.148 20 0 JIADMO 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 1069224653 /nfs/dbraw/zinc/22/46/53/1069224653.db2.gz QCCZQEMBJLMLNG-IPMKNSEASA-N 1 1 474.474 4.255 20 0 JIADMO CC(C)(C)OC(=O)NC1(CC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC001354446725 1069227513 /nfs/dbraw/zinc/22/75/13/1069227513.db2.gz YWVYWFLZKDMMID-HXUWFJFHSA-N 1 1 455.624 4.411 20 0 JIADMO CC(C)(C)OC(=O)NC1(CC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC001354446725 1069227526 /nfs/dbraw/zinc/22/75/26/1069227526.db2.gz YWVYWFLZKDMMID-HXUWFJFHSA-N 1 1 455.624 4.411 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)[C@@H](c2cnn(C)c2)C1 ZINC000849579258 1069229958 /nfs/dbraw/zinc/22/99/58/1069229958.db2.gz WLZOMTFUNZZDRT-VQTJNVASSA-N 1 1 463.607 4.420 20 0 JIADMO COc1ccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c(OCc2ccccc2)c1 ZINC000849581073 1069232592 /nfs/dbraw/zinc/23/25/92/1069232592.db2.gz DQAQXEPQDJTXMI-BJKOFHAPSA-N 1 1 462.594 4.460 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)[C@H](c2cnn(C)c2)C1 ZINC000849582547 1069234231 /nfs/dbraw/zinc/23/42/31/1069234231.db2.gz NUNIOPDAYRSJOA-YADHBBJMSA-N 1 1 478.559 4.075 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849585209 1069235357 /nfs/dbraw/zinc/23/53/57/1069235357.db2.gz AEFBIYXZMWSXER-SJORKVTESA-N 1 1 458.912 4.467 20 0 JIADMO COc1cc(OC)cc(Oc2ccc(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)c1 ZINC000849588059 1069239887 /nfs/dbraw/zinc/23/98/87/1069239887.db2.gz OXKPIOUFPZAGGW-SXOMAYOGSA-N 1 1 492.620 4.360 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)[C@H](c2cnn(C)c2)C1 ZINC000849594156 1069246403 /nfs/dbraw/zinc/24/64/03/1069246403.db2.gz CWTIEFQXNAYINT-UXHICEINSA-N 1 1 485.430 4.036 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)[C@@H](c2cnn(C)c2)C1 ZINC000849598020 1069253685 /nfs/dbraw/zinc/25/36/85/1069253685.db2.gz WWZYYRGOQJYTNM-CLJLJLNGSA-N 1 1 485.632 4.005 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cn1 ZINC000849597710 1069254570 /nfs/dbraw/zinc/25/45/70/1069254570.db2.gz VKFFHTSQNRROEZ-CABCVRRESA-N 1 1 464.410 4.054 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)cn1 ZINC000849599329 1069255100 /nfs/dbraw/zinc/25/51/00/1069255100.db2.gz AQMIZPQUGZXAIF-XJUOHMSHSA-N 1 1 459.619 4.165 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cc(-c3cccs3)nn2Cc2ccccc2)cn1 ZINC000849602357 1069257562 /nfs/dbraw/zinc/25/75/62/1069257562.db2.gz MSAPIYHFWDNVDX-RTWAWAEBSA-N 1 1 460.607 4.067 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Br)c3ncccc23)[C@@H](c2cnn(C)c2)C1 ZINC000849609534 1069265944 /nfs/dbraw/zinc/26/59/44/1069265944.db2.gz CJKFHJMHMXZGGB-FUHWJXTLSA-N 1 1 456.388 4.183 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(SCc3cccs3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849611122 1069269634 /nfs/dbraw/zinc/26/96/34/1069269634.db2.gz UBRIROSDYBODPT-SJORKVTESA-N 1 1 462.670 4.078 20 0 JIADMO CCc1cc(Br)cc2sc(NC(=O)[C@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)nc21 ZINC000849611962 1069273086 /nfs/dbraw/zinc/27/30/86/1069273086.db2.gz CTKAVQFJBVFKHX-HOTGVXAUSA-N 1 1 462.417 4.029 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc3c(Br)ccc(Cl)c3n2)cn1 ZINC000849613499 1069274394 /nfs/dbraw/zinc/27/43/94/1069274394.db2.gz SNWUMQCKLWUBTQ-DZGCQCFKSA-N 1 1 462.779 4.058 20 0 JIADMO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2cc(Br)c(Cl)s2)cc1 ZINC001200691375 1069298745 /nfs/dbraw/zinc/29/87/45/1069298745.db2.gz DTLGBKQDZIHTKW-UHFFFAOYSA-N 1 1 456.837 4.279 20 0 JIADMO Cc1ccccc1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001492591705 1069305905 /nfs/dbraw/zinc/30/59/05/1069305905.db2.gz LWMHSTFPYQARPC-KCWPFWIISA-N 1 1 469.674 4.384 20 0 JIADMO CCOC(=O)c1cc2n(n1)CCCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164410121 718866939 /nfs/dbraw/zinc/86/69/39/718866939.db2.gz WZAJYMYIPYSEPB-QGZVFWFLSA-N 1 1 494.665 4.195 20 0 JIADMO CCOC(=O)[C@]12CCO[C@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164434655 718979162 /nfs/dbraw/zinc/97/91/62/718979162.db2.gz UQCRQXPWYGIWIX-FNZWTVRRSA-N 1 1 484.666 4.105 20 0 JIADMO Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625218 719077079 /nfs/dbraw/zinc/07/70/79/719077079.db2.gz NACHKPUZDHRSEH-AABGKKOBSA-N 1 1 452.990 4.280 20 0 JIADMO c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2nccc(-c3cnc(N4CCCCC4)nc3)n2)cc1 ZINC001164627318 719084409 /nfs/dbraw/zinc/08/44/09/719084409.db2.gz QNZRJXDDABYCRJ-DHLKQENFSA-N 1 1 455.610 4.025 20 0 JIADMO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)[C@@H]3C2)cc1 ZINC001164632334 719098617 /nfs/dbraw/zinc/09/86/17/719098617.db2.gz ZHGWFZFBVDWIPK-FYYLOGMGSA-N 1 1 489.689 4.113 20 0 JIADMO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C[C@H]3O2)n1 ZINC001164638076 719261133 /nfs/dbraw/zinc/26/11/33/719261133.db2.gz NITHGYBKOSSBPL-QGUKFAFCSA-N 1 1 470.621 4.305 20 0 JIADMO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@H]3O2)n1 ZINC001164638076 719261134 /nfs/dbraw/zinc/26/11/34/719261134.db2.gz NITHGYBKOSSBPL-QGUKFAFCSA-N 1 1 470.621 4.305 20 0 JIADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(C[NH+]5CCC(C)CC5)nc5sc6c(c54)CCC6)C[C@@H]3O2)n1 ZINC001164656370 719300417 /nfs/dbraw/zinc/30/04/17/719300417.db2.gz WOUKEUNSWZDWAF-IHPCNDPISA-N 1 1 494.665 4.460 20 0 JIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)CC2 ZINC001164651246 719315446 /nfs/dbraw/zinc/31/54/46/719315446.db2.gz IPPWSADGRKOROC-UHFFFAOYSA-N 1 1 450.921 4.337 20 0 JIADMO CCOC[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)Cc2nn(CC3CC3)cc21 ZINC001164665884 719363011 /nfs/dbraw/zinc/36/30/11/719363011.db2.gz ZANPUWJFRRTLAQ-DEOSSOPVSA-N 1 1 457.622 4.387 20 0 JIADMO CCOC(=O)c1cc2c(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)[nH]c(C)c(C)c-2n1 ZINC001164671685 719515880 /nfs/dbraw/zinc/51/58/80/719515880.db2.gz HFOLZJPJYPJDGK-UHFFFAOYSA-N 1 1 480.584 4.367 20 0 JIADMO CCOC(=O)c1cc2c(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)[nH]c(C)c(C)c-2n1 ZINC001164671685 719515894 /nfs/dbraw/zinc/51/58/94/719515894.db2.gz HFOLZJPJYPJDGK-UHFFFAOYSA-N 1 1 480.584 4.367 20 0 JIADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccccc3F)nc3ccc(Cl)cc31)CC2 ZINC001164682966 719711434 /nfs/dbraw/zinc/71/14/34/719711434.db2.gz HRIUBNPHNGOHBP-UHFFFAOYSA-N 1 1 467.976 4.270 20 0 JIADMO CC(C)Oc1ncnc2c1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164695220 719792351 /nfs/dbraw/zinc/79/23/51/719792351.db2.gz KNOPGZIYGVSDKH-UHFFFAOYSA-N 1 1 478.666 4.348 20 0 JIADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692307 719811806 /nfs/dbraw/zinc/81/18/06/719811806.db2.gz PGVSKSXHJXWNMN-SNAWJCMRSA-N 1 1 451.596 4.149 20 0 JIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4c(Cl)ncnc42)CC3)cs1 ZINC001164692145 719814963 /nfs/dbraw/zinc/81/49/63/719814963.db2.gz MILGMRNKXKWUQJ-UHFFFAOYSA-N 1 1 450.399 4.127 20 0 JIADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC001164698399 719853148 /nfs/dbraw/zinc/85/31/48/719853148.db2.gz BXTRBGSQNXAIBT-RXFWQSSRSA-N 1 1 480.996 4.183 20 0 JIADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2sc(-c3ccccc3)cc21 ZINC001164706670 719862555 /nfs/dbraw/zinc/86/25/55/719862555.db2.gz YHSNVCBYQOAQHC-OSPHWJPCSA-N 1 1 487.025 4.244 20 0 JIADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(-c2ccc(C)c(C)c2)c2ccccc21 ZINC001164705077 719867663 /nfs/dbraw/zinc/86/76/63/719867663.db2.gz NIEUUONJAQXZTC-DWACAAAGSA-N 1 1 474.605 4.146 20 0 JIADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(-c2ccc(C)c(C)c2)c2ccccc21 ZINC001164705065 719867888 /nfs/dbraw/zinc/86/78/88/719867888.db2.gz NIEUUONJAQXZTC-DFHRPNOPSA-N 1 1 474.605 4.146 20 0 JIADMO O=C(NC1CCCCC1)c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695266 719887252 /nfs/dbraw/zinc/88/72/52/719887252.db2.gz KNWKKVXJTPICIE-UHFFFAOYSA-N 1 1 454.640 4.077 20 0 JIADMO CCOc1cc2ncnc(N3CCC4(C[C@@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)c2cc1OCC ZINC001164714252 720119149 /nfs/dbraw/zinc/11/91/49/720119149.db2.gz BESMJMMECJTTLM-QFIPXVFZSA-N 1 1 491.636 4.330 20 0 JIADMO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3cc(OC)c(OC)cc31)CC2 ZINC001164716243 720121935 /nfs/dbraw/zinc/12/19/35/720121935.db2.gz JLYYSXIXPMSWOO-QFIPXVFZSA-N 1 1 462.594 4.155 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3cc(OC)c(OC)cc31)CC2 ZINC001164716243 720121939 /nfs/dbraw/zinc/12/19/39/720121939.db2.gz JLYYSXIXPMSWOO-QFIPXVFZSA-N 1 1 462.594 4.155 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)CC2 ZINC001164718108 720124020 /nfs/dbraw/zinc/12/40/20/720124020.db2.gz RTEVWRVHAILNAG-HXUWFJFHSA-N 1 1 486.060 4.166 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)ccc1C)CC2 ZINC001164719673 720127211 /nfs/dbraw/zinc/12/72/11/720127211.db2.gz ZUYYXELIXFQVMA-LJQANCHMSA-N 1 1 450.961 4.491 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(-c3ccccc3OC)ncn1)CC2 ZINC001164710810 720144655 /nfs/dbraw/zinc/14/46/55/720144655.db2.gz DAGHTHOQRGXWCI-JOCHJYFZSA-N 1 1 459.594 4.055 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164712269 720146673 /nfs/dbraw/zinc/14/66/73/720146673.db2.gz MEZDTZNTQDBTSO-QGZVFWFLSA-N 1 1 476.959 4.059 20 0 JIADMO CCc1nc(Cl)c(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c(Cl)n1 ZINC001164712270 720146739 /nfs/dbraw/zinc/14/67/39/720146739.db2.gz MGANRRSEDDUEPN-KRWDZBQOSA-N 1 1 450.414 4.248 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)C2 ZINC001164815543 720151226 /nfs/dbraw/zinc/15/12/26/720151226.db2.gz ICSDHZYNOVXGNA-LSYYVWMOSA-N 1 1 463.622 4.369 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)C2 ZINC001164815544 720151332 /nfs/dbraw/zinc/15/13/32/720151332.db2.gz ICSDHZYNOVXGNA-NAKRPHOHSA-N 1 1 463.622 4.369 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1c(C)c(C)n3Cc1ccccc1)C2 ZINC001164819162 720169715 /nfs/dbraw/zinc/16/97/15/720169715.db2.gz WGSAFQHJMQKUQF-YWEHKCAJSA-N 1 1 459.638 4.281 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3cccc(OC)c3)nc3ccccc31)C2 ZINC001164819871 720182440 /nfs/dbraw/zinc/18/24/40/720182440.db2.gz YUZHTGSTODWRFR-SKCUWOTOSA-N 1 1 458.606 4.490 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccn3)c(-c3ccccn3)nc1Cl)C2 ZINC001164810921 720199918 /nfs/dbraw/zinc/19/99/18/720199918.db2.gz FMNFFIVGGDHMFL-NFQMXDRXSA-N 1 1 491.039 4.439 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)CCC2 ZINC001164818608 720244994 /nfs/dbraw/zinc/24/49/94/720244994.db2.gz ZTTJXMYAOJEENV-UHFFFAOYSA-N 1 1 489.407 4.383 20 0 JIADMO O=C1N(CC2CC2)CC[C@]12CCCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164818848 720281984 /nfs/dbraw/zinc/28/19/84/720281984.db2.gz NXYPXKOYSLUXOL-MHZLTWQESA-N 1 1 479.694 4.395 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3O[C@H](c4nc(C)no4)CC[C@H]32)n1 ZINC001164826781 720408687 /nfs/dbraw/zinc/40/86/87/720408687.db2.gz CTPSDLSHZGOIAF-SQNIBIBYSA-N 1 1 456.616 4.340 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ncc3OCc3ccccc3)CC[C@@H]21 ZINC001164840679 720549520 /nfs/dbraw/zinc/54/95/20/720549520.db2.gz SONAVGFTIOMEST-FKBYEOEOSA-N 1 1 467.017 4.283 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837298 720580633 /nfs/dbraw/zinc/58/06/33/720580633.db2.gz HXBSQWXCIXHYSK-XGHQBKJUSA-N 1 1 476.959 4.282 20 0 JIADMO CCc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C2)n1)CCC3 ZINC001164839486 720600874 /nfs/dbraw/zinc/60/08/74/720600874.db2.gz NKZDIFDFYWOWDB-CMKODMSKSA-N 1 1 450.656 4.317 20 0 JIADMO COc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc(Cl)c2c1 ZINC001164838739 720617103 /nfs/dbraw/zinc/61/71/03/720617103.db2.gz LKKLTSTWSKOCRN-CBGDNZLLSA-N 1 1 490.986 4.411 20 0 JIADMO CCOC(=O)c1cnc(C(F)(F)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1Cl ZINC001164843759 720662831 /nfs/dbraw/zinc/66/28/31/720662831.db2.gz XOUKAMBEURXJNA-SFHVURJKSA-N 1 1 494.970 4.112 20 0 JIADMO COC(=O)c1ccc2nc(Cl)c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc2c1 ZINC001164840442 720666780 /nfs/dbraw/zinc/66/67/80/720666780.db2.gz MMZIXTIQQADUHB-HXUWFJFHSA-N 1 1 480.996 4.330 20 0 JIADMO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737303 720678882 /nfs/dbraw/zinc/67/88/82/720678882.db2.gz FITPJVLRIDKNDO-GJZGRUSLSA-N 1 1 466.319 4.218 20 0 JIADMO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737304 720679325 /nfs/dbraw/zinc/67/93/25/720679325.db2.gz FITPJVLRIDKNDO-HUUCEWRRSA-N 1 1 466.319 4.218 20 0 JIADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164843395 720695942 /nfs/dbraw/zinc/69/59/42/720695942.db2.gz PJYJLZMFZISOJI-QFIPXVFZSA-N 1 1 471.045 4.477 20 0 JIADMO CC(C)n1cnc2c1nc(Cl)nc2N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164838315 720703872 /nfs/dbraw/zinc/70/38/72/720703872.db2.gz HZDRFYGTDOQKIQ-LJQANCHMSA-N 1 1 455.006 4.321 20 0 JIADMO Clc1nc2sc(-c3ccccc3)cc2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739435 720736976 /nfs/dbraw/zinc/73/69/76/720736976.db2.gz IOUHUSLICJBGBV-IRXDYDNUSA-N 1 1 464.982 4.144 20 0 JIADMO CC[C@H]1N(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)CCC[C@]12CCC(=O)N2 ZINC001164846446 720754999 /nfs/dbraw/zinc/75/49/99/720754999.db2.gz IZXPJFIPNKRQCO-CLOONOSVSA-N 1 1 453.656 4.194 20 0 JIADMO c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5scc(-c6ccccc6)c54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746071 720819638 /nfs/dbraw/zinc/81/96/38/720819638.db2.gz XWLOWVFZDDWIBI-MQSCRBSSSA-N 1 1 471.634 4.329 20 0 JIADMO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740646 720824717 /nfs/dbraw/zinc/82/47/17/720824717.db2.gz KIBGIDGJUXVLHV-CZTZKLFOSA-N 1 1 472.971 4.404 20 0 JIADMO c1ncn(C[C@H]2C[C@H]3CN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744992 720826196 /nfs/dbraw/zinc/82/61/96/720826196.db2.gz VUDNIXYFEKQEQS-JIMJEQGWSA-N 1 1 492.631 4.177 20 0 JIADMO COC[C@@]12CCCO[C@H]1CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164847645 720828264 /nfs/dbraw/zinc/82/82/64/720828264.db2.gz JYJRXANGLINCRY-CPJSRVTESA-N 1 1 456.656 4.188 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC[C@@H]2C1 ZINC001164852322 720844364 /nfs/dbraw/zinc/84/43/64/720844364.db2.gz KBSCTUAPRPVITE-CTNGQTDRSA-N 1 1 451.945 4.120 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(Cl)cc4)nc4ccccc43)CC[C@@H]2C1 ZINC001164854459 720853198 /nfs/dbraw/zinc/85/31/98/720853198.db2.gz KBEUTYMRLGFXNN-AUSIDOKSSA-N 1 1 452.986 4.124 20 0 JIADMO FC(F)c1nc2ccc(Cl)cc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746070 720855591 /nfs/dbraw/zinc/85/55/91/720855591.db2.gz FOCIQFWBPJTKOA-WRWLIDTKSA-N 1 1 473.959 4.192 20 0 JIADMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164747005 720856229 /nfs/dbraw/zinc/85/62/29/720856229.db2.gz HMFGEIPEUOMPJO-GGBSJPMNSA-N 1 1 492.071 4.309 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(-c4ccc(-c5ccccc5)cc4)n3)CC[C@@H]2C1 ZINC001164853498 720856308 /nfs/dbraw/zinc/85/63/08/720856308.db2.gz GVHOGRASFALCQI-DHIUTWEWSA-N 1 1 480.012 4.033 20 0 JIADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748748 720857755 /nfs/dbraw/zinc/85/77/55/720857755.db2.gz LXQXWLBVIGFYLC-IBGGVINMSA-N 1 1 495.631 4.180 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(OC)cc4)nc4ccc(Cl)cc43)CC[C@H]2C1 ZINC001164859672 720861683 /nfs/dbraw/zinc/86/16/83/720861683.db2.gz VEJUOQMMNGOETL-YADARESESA-N 1 1 483.012 4.132 20 0 JIADMO FC(F)(c1ccc(Cl)nc1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752489 720867474 /nfs/dbraw/zinc/86/74/74/720867474.db2.gz NCJYNJTXIQTQAA-GGAORHGYSA-N 1 1 462.972 4.430 20 0 JIADMO COc1ccc2nc(Cl)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164749026 720869145 /nfs/dbraw/zinc/86/91/45/720869145.db2.gz GGNXCVGBHIHBJH-JIPXPUAJSA-N 1 1 494.039 4.442 20 0 JIADMO FC(F)(c1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747826 720870662 /nfs/dbraw/zinc/87/06/62/720870662.db2.gz BVNLQZGSOKXQCM-JTHBVZDNSA-N 1 1 462.972 4.430 20 0 JIADMO Clc1ccc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755477 720877780 /nfs/dbraw/zinc/87/77/80/720877780.db2.gz XOWVJBHPSFADGT-HFZDXXHNSA-N 1 1 464.013 4.433 20 0 JIADMO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753817 720881600 /nfs/dbraw/zinc/88/16/00/720881600.db2.gz QBDZVVLJMUWEDD-FGCOXFRFSA-N 1 1 460.981 4.013 20 0 JIADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2nccnc2C2SCCCS2)C3)c1 ZINC001164753211 720881888 /nfs/dbraw/zinc/88/18/88/720881888.db2.gz GDCVUTPAZUXMTH-GJZUVCINSA-N 1 1 497.734 4.495 20 0 JIADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164756515 720882522 /nfs/dbraw/zinc/88/25/22/720882522.db2.gz PWUIPNOPWUAHIW-AJTFRIOCSA-N 1 1 499.055 4.370 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(Oc5ccccc5)cc4)nn3)CC[C@H]2C1 ZINC001164856525 720884879 /nfs/dbraw/zinc/88/48/79/720884879.db2.gz IFMCMDPHZNSRAL-NVQXNPDNSA-N 1 1 460.578 4.109 20 0 JIADMO Clc1ccc2ncc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164758889 720886017 /nfs/dbraw/zinc/88/60/17/720886017.db2.gz ZZUQHWBVEGEDEX-RLWLMLJZSA-N 1 1 464.013 4.433 20 0 JIADMO O=C(Nc1ccccc1)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164751690 720891749 /nfs/dbraw/zinc/89/17/49/720891749.db2.gz DBTSSKZLTRCVEB-FREGXXQWSA-N 1 1 497.643 4.484 20 0 JIADMO COc1cccc(-c2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)c1 ZINC001164750549 720898664 /nfs/dbraw/zinc/89/86/64/720898664.db2.gz BIXLHAGTTYWHPF-SVEHJYQDSA-N 1 1 485.632 4.302 20 0 JIADMO c1csc(-c2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)c1 ZINC001164752672 720916607 /nfs/dbraw/zinc/91/66/07/720916607.db2.gz OJENFLCAOPLFJM-ATIYNZHBSA-N 1 1 461.635 4.355 20 0 JIADMO Fc1ccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)cc1 ZINC001164753256 720916918 /nfs/dbraw/zinc/91/69/18/720916918.db2.gz REHKUZSDSQKVCG-UFHPHHKVSA-N 1 1 473.596 4.433 20 0 JIADMO Cc1nc(-c2ccccn2)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C ZINC001164755188 720923564 /nfs/dbraw/zinc/92/35/64/720923564.db2.gz ZJQGVNRACUXPFX-VAVYLYDRSA-N 1 1 484.648 4.306 20 0 JIADMO Cc1cc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2cc1C ZINC001164752886 720930478 /nfs/dbraw/zinc/93/04/78/720930478.db2.gz PFRIDRXZUFFYME-RBJSKKJNSA-N 1 1 457.622 4.397 20 0 JIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)[C@@H]2C ZINC001164860504 720936079 /nfs/dbraw/zinc/93/60/79/720936079.db2.gz QGCYOLKILFRNKE-GOSISDBHSA-N 1 1 467.017 4.283 20 0 JIADMO c1cc2c(nc(C3CCC3)nc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH]1 ZINC001164749180 720940633 /nfs/dbraw/zinc/94/06/33/720940633.db2.gz IFDKNNWVBFPVLF-LXFBAYGMSA-N 1 1 472.637 4.376 20 0 JIADMO CCOC(=O)c1sc2nc(C)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164856403 721001767 /nfs/dbraw/zinc/00/17/67/721001767.db2.gz CDPOGJJNCVUVML-HNNXBMFYSA-N 1 1 456.616 4.103 20 0 JIADMO Cc1cccc(-c2cc(C(F)(F)N3CCc4[nH+]cc(Cn5cccn5)n4CC3)c(Cl)nn2)c1 ZINC001164863465 721034470 /nfs/dbraw/zinc/03/44/70/721034470.db2.gz SZXJVXSFPNNHDT-UHFFFAOYSA-N 1 1 469.927 4.154 20 0 JIADMO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164864541 721089243 /nfs/dbraw/zinc/08/92/43/721089243.db2.gz GETQJVWXKRAPOP-RTWAWAEBSA-N 1 1 481.959 4.001 20 0 JIADMO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865707 721097557 /nfs/dbraw/zinc/09/75/57/721097557.db2.gz OUEGAAXJURTGIE-IAGOWNOFSA-N 1 1 480.346 4.356 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc(-c5cc(Cl)ncn5)cc4)C[C@H]3C2)cn1 ZINC001164765771 721100845 /nfs/dbraw/zinc/10/08/45/721100845.db2.gz JTABGQARZCHHER-RBUKOAKNSA-N 1 1 458.944 4.034 20 0 JIADMO COc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)c23)cc1 ZINC001164876469 721140265 /nfs/dbraw/zinc/14/02/65/721140265.db2.gz MRRZKYINERFEED-IFMALSPDSA-N 1 1 473.602 4.242 20 0 JIADMO Fc1ccc(-c2nnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c3ccccc32)cc1F ZINC001164877587 721143272 /nfs/dbraw/zinc/14/32/72/721143272.db2.gz OUYRIUATHQMYCW-RTWAWAEBSA-N 1 1 473.527 4.450 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5c(Cl)nc(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164764308 721147015 /nfs/dbraw/zinc/14/70/15/721147015.db2.gz HOUNUMZFRFHMIX-HUUCEWRRSA-N 1 1 467.351 4.173 20 0 JIADMO Cc1ccc2nc(-c3ccccc3F)nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164773264 721153180 /nfs/dbraw/zinc/15/31/80/721153180.db2.gz XPBLABBCWQIXFY-RTWAWAEBSA-N 1 1 456.569 4.436 20 0 JIADMO COCc1nc2scc(-c3ccccc3)c2c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164878914 721165191 /nfs/dbraw/zinc/16/51/91/721165191.db2.gz QUMZKRQGZHYUGH-VXKWHMMOSA-N 1 1 487.629 4.379 20 0 JIADMO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164876393 721184603 /nfs/dbraw/zinc/18/46/03/721184603.db2.gz MDBVPSXEJAIXDQ-ROUUACIJSA-N 1 1 472.376 4.450 20 0 JIADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164867822 721184951 /nfs/dbraw/zinc/18/49/51/721184951.db2.gz IIGAFUISFNTZTA-UNMCSNQZSA-N 1 1 465.985 4.359 20 0 JIADMO Fc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164868199 721193463 /nfs/dbraw/zinc/19/34/63/721193463.db2.gz KXTMFQGWIZLCES-UXHICEINSA-N 1 1 489.929 4.356 20 0 JIADMO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866801 721194534 /nfs/dbraw/zinc/19/45/34/721194534.db2.gz DFCWLVBQXFEENI-RBUKOAKNSA-N 1 1 460.912 4.415 20 0 JIADMO CSCc1nc2sc3c(c2c(N2C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C2)n1)CCCC3 ZINC001164770094 721202321 /nfs/dbraw/zinc/20/23/21/721202321.db2.gz MZMDVYIMDNBOKG-ROUUACIJSA-N 1 1 468.696 4.125 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5cccc(Cl)c5)nc5c4CCCC5)C[C@@H]3C2)cn1 ZINC001164772844 721222302 /nfs/dbraw/zinc/22/23/02/721222302.db2.gz VMCCMKOYZJDQJE-RTWAWAEBSA-N 1 1 463.029 4.368 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccc(Cl)s5)nc5c4CCC5)C[C@@H]3C2)cn1 ZINC001164770188 721224543 /nfs/dbraw/zinc/22/45/43/721224543.db2.gz OBQBUHLMXAQYBW-SJORKVTESA-N 1 1 455.031 4.039 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC5CC4(C(=O)N4CCCC4)C5)c32)C1 ZINC001164870773 721238029 /nfs/dbraw/zinc/23/80/29/721238029.db2.gz BOIPHSCJISWJIP-VTZQIPSXSA-N 1 1 465.667 4.003 20 0 JIADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c(Cl)nn2)c1 ZINC001164760419 721248077 /nfs/dbraw/zinc/24/80/77/721248077.db2.gz DWGATUZEXYNADY-UXHICEINSA-N 1 1 472.971 4.342 20 0 JIADMO c1sc2nc(CN3CCOCC3)nc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2c1-c1ccccc1 ZINC001164768817 721297885 /nfs/dbraw/zinc/29/78/85/721297885.db2.gz HHJBBVCAVSOREN-UHFFFAOYSA-N 1 1 475.662 4.113 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3cc(C(=O)OC)c(N4CCCC4)nc3CC2)nc1 ZINC001164775184 721308349 /nfs/dbraw/zinc/30/83/49/721308349.db2.gz ATJQNLUXFWAEPN-XMMPIXPASA-N 1 1 463.626 4.016 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC3)C(=O)NC[C@H]4c3ccccc3)c2c1C ZINC001164875383 721318459 /nfs/dbraw/zinc/31/84/59/721318459.db2.gz FEVHHEDMQQNBMR-NRFANRHFSA-N 1 1 475.662 4.404 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CCN(C(=O)c5cscn5)C4)CC3)c2c1C ZINC001164875297 721329039 /nfs/dbraw/zinc/32/90/39/721329039.db2.gz KADVRLQTHIHZEL-UHFFFAOYSA-N 1 1 496.706 4.493 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4cccc(F)c43)C2)C1 ZINC001164776210 721345285 /nfs/dbraw/zinc/34/52/85/721345285.db2.gz ALYIWDRDGRRUAE-HSZRJFAPSA-N 1 1 459.953 4.146 20 0 JIADMO CCOC(=O)c1cc2ccccc2nc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164782269 721357764 /nfs/dbraw/zinc/35/77/64/721357764.db2.gz LZTMRDDVWQONJJ-HHHXNRCGSA-N 1 1 478.593 4.135 20 0 JIADMO CCOC(=O)c1cc2ccccc2nc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164782269 721357769 /nfs/dbraw/zinc/35/77/69/721357769.db2.gz LZTMRDDVWQONJJ-HHHXNRCGSA-N 1 1 478.593 4.135 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@H]3CC(=O)N4c3ccsc3)c2c1C ZINC001164882367 721358617 /nfs/dbraw/zinc/35/86/17/721358617.db2.gz IITRKQUQNUALDW-ZWKOTPCHSA-N 1 1 453.637 4.350 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cccc(OCc4ccccc4)n3)C2)C1 ZINC001164784326 721360791 /nfs/dbraw/zinc/36/07/91/721360791.db2.gz RILRHIOIGOHJMD-HHHXNRCGSA-N 1 1 462.594 4.384 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)nc1 ZINC001164881295 721362072 /nfs/dbraw/zinc/36/20/72/721362072.db2.gz BBAVXXYSQIASJT-RUZDIDTESA-N 1 1 489.668 4.282 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4[nH]c5ccc(Cl)cc5c43)C2)C1 ZINC001164782209 721363838 /nfs/dbraw/zinc/36/38/38/721363838.db2.gz LCGBMUZJGSFXGE-RUZDIDTESA-N 1 1 481.000 4.488 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(NC(=O)OC(C)(C)C)cn3)C2)C1 ZINC001164785231 721364047 /nfs/dbraw/zinc/36/40/47/721364047.db2.gz SPBKMOBERWIJRJ-VWLOTQADSA-N 1 1 471.602 4.152 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCN(CCOC)c3ncccc3C2)n1 ZINC001164883951 721369353 /nfs/dbraw/zinc/36/93/53/721369353.db2.gz AMWJONVGBARCRL-UHFFFAOYSA-N 1 1 454.644 4.018 20 0 JIADMO COCCN1CCN(c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)Cc2cccnc21 ZINC001164886731 721369602 /nfs/dbraw/zinc/36/96/02/721369602.db2.gz NNIPHLCGXPZNCJ-UHFFFAOYSA-N 1 1 466.655 4.162 20 0 JIADMO CCN(c1ccccc1)c1cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ncn1 ZINC001164787055 721370562 /nfs/dbraw/zinc/37/05/62/721370562.db2.gz XWFDRBWXRIURIR-HHHXNRCGSA-N 1 1 476.625 4.358 20 0 JIADMO CCN(c1ccccc1)c1cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ncn1 ZINC001164787055 721370569 /nfs/dbraw/zinc/37/05/69/721370569.db2.gz XWFDRBWXRIURIR-HHHXNRCGSA-N 1 1 476.625 4.358 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(-c5cc(Cl)ncn5)cc4)C3)O2)CC1 ZINC001164892852 721398502 /nfs/dbraw/zinc/39/85/02/721398502.db2.gz TZWMXTBLKYQNLM-XUZZJYLKSA-N 1 1 492.014 4.107 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C3)O2)CC1 ZINC001164896057 721431655 /nfs/dbraw/zinc/43/16/55/721431655.db2.gz QJTCUCYYAHAEJI-KUHUBIRLSA-N 1 1 483.818 4.352 20 0 JIADMO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1C ZINC001164894911 721434694 /nfs/dbraw/zinc/43/46/94/721434694.db2.gz NEZQGYSTHSUCND-WXVAWEFUSA-N 1 1 492.693 4.136 20 0 JIADMO Cc1sc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1-c1ccccc1 ZINC001164893835 721435153 /nfs/dbraw/zinc/43/51/53/721435153.db2.gz KVLNIVIJBSRLFS-WXVAWEFUSA-N 1 1 477.678 4.432 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cccc(-c5ccc(Cl)nn5)c4)C3)O2)CC1 ZINC001164895851 721441499 /nfs/dbraw/zinc/44/14/99/721441499.db2.gz QHOOXDMNZIZZFC-ZJSXRUAMSA-N 1 1 492.014 4.107 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccc(OC)cc3cc1C)CC2 ZINC001164790564 721450373 /nfs/dbraw/zinc/45/03/73/721450373.db2.gz ZITHUYXRKODBRA-HSZRJFAPSA-N 1 1 453.627 4.286 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc(C)c(Cl)n1)CC2 ZINC001164785577 721461040 /nfs/dbraw/zinc/46/10/40/721461040.db2.gz MCFVCBFERBDZPS-IBGZPJMESA-N 1 1 457.993 4.322 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(C(C)(C)C)n1)CC2 ZINC001164783305 721464644 /nfs/dbraw/zinc/46/46/44/721464644.db2.gz DFQJDCFVKPOOGT-LJQANCHMSA-N 1 1 451.055 4.161 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3ccccc3F)nn1)CC2 ZINC001164787950 721469239 /nfs/dbraw/zinc/46/92/39/721469239.db2.gz GMAFRVSLUHPPOG-NRFANRHFSA-N 1 1 454.590 4.017 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccnc1Oc1ccccc1)CC2 ZINC001164788764 721469872 /nfs/dbraw/zinc/46/98/72/721469872.db2.gz JWIZEABRTWIHGY-QFIPXVFZSA-N 1 1 452.599 4.003 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@H](COCc3ccccn3)C2)nc1 ZINC001164892225 721470425 /nfs/dbraw/zinc/47/04/25/721470425.db2.gz PNWTXTFTJDRBIP-DHLKQENFSA-N 1 1 460.626 4.463 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)c(-c3ccccc3F)n1)CC2 ZINC001164788258 721471577 /nfs/dbraw/zinc/47/15/77/721471577.db2.gz IVQVHVGDZXEGIM-JOCHJYFZSA-N 1 1 468.617 4.325 20 0 JIADMO CCOC[C@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)Cc2cnn(C)c21 ZINC001164792825 721477431 /nfs/dbraw/zinc/47/74/31/721477431.db2.gz PVVHWBOJKVENAD-LJQANCHMSA-N 1 1 454.644 4.168 20 0 JIADMO CCOC[C@@H]1CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)Cc2cnn(C)c21 ZINC001164792718 721478103 /nfs/dbraw/zinc/47/81/03/721478103.db2.gz PDDGQMYYZVYMRX-IBGZPJMESA-N 1 1 462.623 4.294 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CCOC[C@H]4NC(=O)C(C)C)CC3)c2c1C ZINC001164899478 721501523 /nfs/dbraw/zinc/50/15/23/721501523.db2.gz YUBWCVNSSWYFRN-OAQYLSRUSA-N 1 1 499.725 4.442 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(C[C@H](c5ccncc5)C(=O)N4)CC3)c2c1C ZINC001164895318 721504573 /nfs/dbraw/zinc/50/45/73/721504573.db2.gz CBSJONRBOWGPOX-OAQYLSRUSA-N 1 1 490.677 4.332 20 0 JIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4nc5ccsc5c(Cl)n4)CC[N@H+]3C2)c1 ZINC001164900691 721521011 /nfs/dbraw/zinc/52/10/11/721521011.db2.gz TXKYCZCUTOTJNT-UKRRQHHQSA-N 1 1 454.905 4.371 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3ccccc3n2)[C@H]2CCCO[C@@H]12 ZINC001164800621 721530823 /nfs/dbraw/zinc/53/08/23/721530823.db2.gz CSSLYGGQRGZJHB-XUVXKRRUSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3ccccc3n2)[C@H]2CCCO[C@@H]12 ZINC001164800621 721530830 /nfs/dbraw/zinc/53/08/30/721530830.db2.gz CSSLYGGQRGZJHB-XUVXKRRUSA-N 1 1 459.928 4.091 20 0 JIADMO Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)CC[N@H+]3C2)c1 ZINC001164905924 721551510 /nfs/dbraw/zinc/55/15/10/721551510.db2.gz IBHWMZNMIPQUJF-IEBWSBKVSA-N 1 1 475.902 4.218 20 0 JIADMO CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164905127 721577940 /nfs/dbraw/zinc/57/79/40/721577940.db2.gz SKTDWLMOBNDLNH-QFIPXVFZSA-N 1 1 474.049 4.094 20 0 JIADMO CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1c1ccc([C@@H]2CCCC[N@H+]2CC)cn1 ZINC001164904458 721578869 /nfs/dbraw/zinc/57/88/69/721578869.db2.gz QIDUCLBNIZHRKH-DQEYMECFSA-N 1 1 467.658 4.392 20 0 JIADMO COC(=O)c1ccc2nc(Cl)c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2c1 ZINC001164907467 721586134 /nfs/dbraw/zinc/58/61/34/721586134.db2.gz TZHKBLFETYMARF-HSZRJFAPSA-N 1 1 487.938 4.203 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccn3)nc3sccc32)[C@H]2CCCO[C@H]12 ZINC001164808969 721587505 /nfs/dbraw/zinc/58/75/05/721587505.db2.gz RZVLROHTMSNYSG-BDTNDASRSA-N 1 1 458.591 4.017 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccn3)nc3sccc32)[C@H]2CCCO[C@H]12 ZINC001164808969 721587508 /nfs/dbraw/zinc/58/75/08/721587508.db2.gz RZVLROHTMSNYSG-BDTNDASRSA-N 1 1 458.591 4.017 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)nc1 ZINC001165008043 721692410 /nfs/dbraw/zinc/69/24/10/721692410.db2.gz IBYCKMAGOCLFCX-ZCIWVVNKSA-N 1 1 463.626 4.426 20 0 JIADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906712 721696946 /nfs/dbraw/zinc/69/69/46/721696946.db2.gz PFHSIFQOHYBRDG-QFIPXVFZSA-N 1 1 464.944 4.353 20 0 JIADMO FC1(F)CCN(c2nc(Cl)nc(-c3ccccc3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904062 721698542 /nfs/dbraw/zinc/69/85/42/721698542.db2.gz CUGSJAOITDSPLV-QFIPXVFZSA-N 1 1 456.928 4.325 20 0 JIADMO FC1(F)CCN(c2nccc(OCc3ccccc3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904934 721702825 /nfs/dbraw/zinc/70/28/25/721702825.db2.gz FRMLBFFGMUULMY-DEOSSOPVSA-N 1 1 451.521 4.188 20 0 JIADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906862 721704852 /nfs/dbraw/zinc/70/48/52/721704852.db2.gz OUEKESGPDSCMNK-HSZRJFAPSA-N 1 1 487.938 4.203 20 0 JIADMO COc1cc2nc(Cl)c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2cc1OC ZINC001164907021 721706432 /nfs/dbraw/zinc/70/64/32/721706432.db2.gz PKTWKHCRZTUDPV-HSZRJFAPSA-N 1 1 489.954 4.433 20 0 JIADMO FC(F)(COc1cccc(Cl)n1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905543 721713340 /nfs/dbraw/zinc/71/33/40/721713340.db2.gz HFQBOHYIIZBCJL-LJQANCHMSA-N 1 1 458.887 4.335 20 0 JIADMO CN(C)c1ccc(-c2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164907069 721718557 /nfs/dbraw/zinc/71/85/57/721718557.db2.gz QCIBDFIQILRXHE-VWLOTQADSA-N 1 1 464.564 4.342 20 0 JIADMO COC(=O)C[C@@H](c1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1)C1CC1 ZINC001164906719 721721735 /nfs/dbraw/zinc/72/17/35/721721735.db2.gz NWFHFRYTLFXMSE-RDGATRHJSA-N 1 1 470.564 4.271 20 0 JIADMO FC1(F)CCN(c2nc3ccccc3nc2N2CCCC2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907672 721722108 /nfs/dbraw/zinc/72/21/08/721722108.db2.gz SMFJIGJQAUYYKG-RUZDIDTESA-N 1 1 464.564 4.363 20 0 JIADMO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913371 721727135 /nfs/dbraw/zinc/72/71/35/721727135.db2.gz URMUFTDRYIXSJL-IBGZPJMESA-N 1 1 468.886 4.289 20 0 JIADMO Cc1nc(-c2ccncc2)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1C ZINC001164912148 721730516 /nfs/dbraw/zinc/73/05/16/721730516.db2.gz MEDOPOTXVHNHCL-XMMPIXPASA-N 1 1 450.537 4.288 20 0 JIADMO Cc1nc(C)c(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)s1 ZINC001164913378 721731727 /nfs/dbraw/zinc/73/17/27/721731727.db2.gz UWLNIPLTUMQKGX-JOCHJYFZSA-N 1 1 456.566 4.350 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1C(=O)NC1CCCCC1)C2 ZINC001164908844 721747227 /nfs/dbraw/zinc/74/72/27/721747227.db2.gz LQZCJQDMCSPHFB-UHFFFAOYSA-N 1 1 459.594 4.327 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1C(=O)NC1CCCCC1)C2 ZINC001164908844 721747231 /nfs/dbraw/zinc/74/72/31/721747231.db2.gz LQZCJQDMCSPHFB-UHFFFAOYSA-N 1 1 459.594 4.327 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)C2 ZINC001164909579 721759172 /nfs/dbraw/zinc/75/91/72/721759172.db2.gz INTAOHIBAVFRSE-UHFFFAOYSA-N 1 1 470.911 4.406 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)C2 ZINC001164909579 721759174 /nfs/dbraw/zinc/75/91/74/721759174.db2.gz INTAOHIBAVFRSE-UHFFFAOYSA-N 1 1 470.911 4.406 20 0 JIADMO C[C@H]1CCCN(C(=O)c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc2)C1 ZINC001164911429 721760972 /nfs/dbraw/zinc/76/09/72/721760972.db2.gz OXLKGMQLDKNTHF-FQEVSTJZSA-N 1 1 459.594 4.136 20 0 JIADMO C[C@H]1CCCN(C(=O)c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc2)C1 ZINC001164911429 721760975 /nfs/dbraw/zinc/76/09/75/721760975.db2.gz OXLKGMQLDKNTHF-FQEVSTJZSA-N 1 1 459.594 4.136 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@]4(CCN(c5cncnc5)C4=O)C3)c2c1C ZINC001165024740 721784784 /nfs/dbraw/zinc/78/47/84/721784784.db2.gz YWIYZGHAHPYKFZ-AREMUKBSSA-N 1 1 491.665 4.108 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)NCc3ccccc3)C[C@H]21 ZINC001165028076 721802861 /nfs/dbraw/zinc/80/28/61/721802861.db2.gz YENLJRSPYMVCBE-DNRSQYFGSA-N 1 1 455.606 4.144 20 0 JIADMO c1nc2c(c(C3CC3)n1)CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164915427 721803985 /nfs/dbraw/zinc/80/39/85/721803985.db2.gz KLGAPZRTULWHBF-UHFFFAOYSA-N 1 1 460.651 4.439 20 0 JIADMO c1csc(COC[C@H]2CC[C@H]3[C@@H]2OCCN3c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)n1 ZINC001164918616 721809513 /nfs/dbraw/zinc/80/95/13/721809513.db2.gz RWFOHIGYDWUEOW-RWCIVJTCSA-N 1 1 476.646 4.297 20 0 JIADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020729 721810634 /nfs/dbraw/zinc/81/06/34/721810634.db2.gz CTJFCENGZLWNDT-VDZJLULYSA-N 1 1 464.944 4.198 20 0 JIADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027371 721811919 /nfs/dbraw/zinc/81/19/19/721811919.db2.gz UKYWKWBHJOAJDZ-CGTJXYLNSA-N 1 1 476.046 4.161 20 0 JIADMO 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 721819593 /nfs/dbraw/zinc/81/95/93/721819593.db2.gz CJDAMXOUYSGEPS-PTLVVNQVSA-N 1 1 495.668 4.490 20 0 JIADMO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001165025702 721828507 /nfs/dbraw/zinc/82/85/07/721828507.db2.gz NNGFPICYFYTEHP-QPTUXGOLSA-N 1 1 456.594 4.169 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)nc1 ZINC001164928708 721836832 /nfs/dbraw/zinc/83/68/32/721836832.db2.gz XXSPYQCVSFBVPX-ZEVJAHDQSA-N 1 1 450.631 4.073 20 0 JIADMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2nc(C)c(C)c(Cl)n2)CC1 ZINC001165020266 721841949 /nfs/dbraw/zinc/84/19/49/721841949.db2.gz BISKOWSVKGVNBO-UHFFFAOYSA-N 1 1 454.949 4.410 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2ncc(F)cn2)C3)nc1 ZINC001164922821 721846493 /nfs/dbraw/zinc/84/64/93/721846493.db2.gz RJWRMJROHYJGOE-ZEQKJWHPSA-N 1 1 468.621 4.071 20 0 JIADMO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001165039639 721915467 /nfs/dbraw/zinc/91/54/67/721915467.db2.gz UKIPVSJELUGCSI-SFHVURJKSA-N 1 1 465.928 4.035 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5c4ncn5C(C)C)CC3)C2)cc1 ZINC001164939641 721929011 /nfs/dbraw/zinc/92/90/11/721929011.db2.gz NMDSOWBXYQBJAZ-UHFFFAOYSA-N 1 1 455.006 4.240 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc5ccccc5nc4N4CCCC4)CC3)C2)cc1 ZINC001164940675 721930229 /nfs/dbraw/zinc/93/02/29/721930229.db2.gz WMZBHDUWHIOAAJ-UHFFFAOYSA-N 1 1 457.622 4.410 20 0 JIADMO COc1cc2c(cc(Cl)nc2N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)cc1F ZINC001164948134 721981857 /nfs/dbraw/zinc/98/18/57/721981857.db2.gz JKYCACUJGICLDL-UHFFFAOYSA-N 1 1 468.960 4.007 20 0 JIADMO COc1cc2c(cc(Cl)nc2N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)cc1F ZINC001164948134 721981862 /nfs/dbraw/zinc/98/18/62/721981862.db2.gz JKYCACUJGICLDL-UHFFFAOYSA-N 1 1 468.960 4.007 20 0 JIADMO COC(=O)CCN(Cc1ccco1)c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001165049907 721982432 /nfs/dbraw/zinc/98/24/32/721982432.db2.gz OADLSKQIAJLMFE-UHFFFAOYSA-N 1 1 454.596 4.329 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(c4nnc(C(F)(F)F)s4)CC3)c2c1C ZINC001165052051 721999516 /nfs/dbraw/zinc/99/95/16/721999516.db2.gz MIRSNJLZMSCAHX-UHFFFAOYSA-N 1 1 483.589 4.101 20 0 JIADMO CC(C)C(=O)N[C@@H]1[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CC[C@H](C)C5)C[C@H]21 ZINC001164964018 722039617 /nfs/dbraw/zinc/03/96/17/722039617.db2.gz SKMXQNSKDHPUBR-NRAANUMRSA-N 1 1 467.683 4.009 20 0 JIADMO Cc1noc(C[C@@H]2C[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCCC6)C[C@H]3O2)n1 ZINC001164962974 722042176 /nfs/dbraw/zinc/04/21/76/722042176.db2.gz QHQKDZDUCTTZTH-WSTZPKSXSA-N 1 1 494.665 4.084 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4[C@@H](CCN4C(=O)c4ccco4)C3)c2c1C ZINC001164958641 722048211 /nfs/dbraw/zinc/04/82/11/722048211.db2.gz PBBWQCRGKONPDR-OALUTQOASA-N 1 1 465.623 4.238 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5CCN(C(=O)c6ccco6)[C@@H]5C4)c32)C1 ZINC001164960327 722048461 /nfs/dbraw/zinc/04/84/61/722048461.db2.gz VADJBXHOBOVAGE-QWFCFKBJSA-N 1 1 491.661 4.356 20 0 JIADMO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963271 722061149 /nfs/dbraw/zinc/06/11/49/722061149.db2.gz UZJYBRJYIDCFRV-VWLOTQADSA-N 1 1 498.002 4.439 20 0 JIADMO Fc1ccc2nc(C(F)F)nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164963274 722061511 /nfs/dbraw/zinc/06/15/11/722061511.db2.gz VFJSRUNHFSKPHO-UHFFFAOYSA-N 1 1 457.500 4.221 20 0 JIADMO O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164966006 722065442 /nfs/dbraw/zinc/06/54/42/722065442.db2.gz NDZQBPRKTKOMBE-OALUTQOASA-N 1 1 494.690 4.116 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@@H]3C2)nc1 ZINC001164970093 722082541 /nfs/dbraw/zinc/08/25/41/722082541.db2.gz UPOMDAOJAVAJIZ-TWJOJJKGSA-N 1 1 480.628 4.412 20 0 JIADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164974318 722141322 /nfs/dbraw/zinc/14/13/22/722141322.db2.gz DGJZSOHSWUAQGX-GOTSBHOMSA-N 1 1 492.693 4.026 20 0 JIADMO O=C(Nc1cccc(Cl)c1)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164975187 722142123 /nfs/dbraw/zinc/14/21/23/722142123.db2.gz FIKLQADGDMLVGN-XUZZJYLKSA-N 1 1 477.996 4.110 20 0 JIADMO Clc1ccc(-c2nc3c(c(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)n2)CCC3)s1 ZINC001164982062 722149272 /nfs/dbraw/zinc/14/92/72/722149272.db2.gz QVGWBIXKWMLMSX-WIYYLYMNSA-N 1 1 482.053 4.470 20 0 JIADMO Clc1ccc(-c2nc3c(c(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)n2)CCC3)s1 ZINC001164982048 722149753 /nfs/dbraw/zinc/14/97/53/722149753.db2.gz QVGWBIXKWMLMSX-GHTZIAJQSA-N 1 1 482.053 4.470 20 0 JIADMO Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164976295 722154605 /nfs/dbraw/zinc/15/46/05/722154605.db2.gz WNNVMZGKMBTRTR-NZQKXSOJSA-N 1 1 465.985 4.353 20 0 JIADMO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]cnc5c4ccn5Cc4cccc(F)c4)CC[C@@H]32)cs1 ZINC001164988007 722183064 /nfs/dbraw/zinc/18/30/64/722183064.db2.gz JEIQNBCMULPANP-BJKOFHAPSA-N 1 1 492.624 4.253 20 0 JIADMO CCOC[C@H]1C(=O)N(CC)CC12CCN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)CC2 ZINC001164987840 722187688 /nfs/dbraw/zinc/18/76/88/722187688.db2.gz BNSIOUPOWJOTBC-FQEVSTJZSA-N 1 1 487.714 4.251 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)n1 ZINC001164995845 722198873 /nfs/dbraw/zinc/19/88/73/722198873.db2.gz YQGVHQOOQJJSLQ-OAQYLSRUSA-N 1 1 453.892 4.451 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)n1 ZINC001164995845 722198876 /nfs/dbraw/zinc/19/88/76/722198876.db2.gz YQGVHQOOQJJSLQ-OAQYLSRUSA-N 1 1 453.892 4.451 20 0 JIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc(N4CCN(c5ccccc5)CC4)ncn2)C3)c1 ZINC001164997975 722210933 /nfs/dbraw/zinc/21/09/33/722210933.db2.gz UAAORPIJRQHBNS-NDEPHWFRSA-N 1 1 472.612 4.187 20 0 JIADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(-c4ccccc4)c4ccccc4n2)CC3)CC1 ZINC001165001099 722237122 /nfs/dbraw/zinc/23/71/22/722237122.db2.gz CGCVCWRKASJYKF-UHFFFAOYSA-N 1 1 450.590 4.049 20 0 JIADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4scc(-c5ccc(Cl)cc5)c42)CC3)CC1 ZINC001165001496 722237150 /nfs/dbraw/zinc/23/71/50/722237150.db2.gz HPYWFVASPRKYAP-UHFFFAOYSA-N 1 1 492.052 4.159 20 0 JIADMO C[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008995 722274210 /nfs/dbraw/zinc/27/42/10/722274210.db2.gz NCQNUWMJKQMEPF-IOZGHAEBSA-N 1 1 470.017 4.129 20 0 JIADMO Cc1ccccc1CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001492592118 1069316941 /nfs/dbraw/zinc/31/69/41/1069316941.db2.gz CGJNIIQQYYLWSS-NZQKXSOJSA-N 1 1 498.672 4.014 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001300647093 1069322917 /nfs/dbraw/zinc/32/29/17/1069322917.db2.gz AUYXYIBSNSCONO-YADHBBJMSA-N 1 1 485.673 4.382 20 0 JIADMO COc1ccccc1SCc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCC(C)(F)F ZINC001300669969 1069399156 /nfs/dbraw/zinc/39/91/56/1069399156.db2.gz ODVDUABDQHQHDV-IRXDYDNUSA-N 1 1 451.587 4.297 20 0 JIADMO C/C(=C/c1ccccc1)CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[N@@H+]1CC=CCC1 ZINC001359347283 1069419688 /nfs/dbraw/zinc/41/96/88/1069419688.db2.gz IAXHDYOMMQYTHM-HJANLVRMSA-N 1 1 465.642 4.120 20 0 JIADMO C/C(=C\c1ccccc1)CN(C)c1nnc(Cc2csc(C)n2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001359349146 1069425646 /nfs/dbraw/zinc/42/56/46/1069425646.db2.gz RPLCREHJSMBIAN-HMMYKYKNSA-N 1 1 480.682 4.284 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1nnc(C)s1 ZINC001300676914 1069428025 /nfs/dbraw/zinc/42/80/25/1069428025.db2.gz JDVJMZGSCCGOJW-UHFFFAOYSA-N 1 1 487.699 4.098 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001359353733 1069436819 /nfs/dbraw/zinc/43/68/19/1069436819.db2.gz LKCSRBUYUACERG-VWLOTQADSA-N 1 1 480.701 4.226 20 0 JIADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3C)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001359358050 1069449734 /nfs/dbraw/zinc/44/97/34/1069449734.db2.gz SLVWSXLZSMOMQG-QHCPKHFHSA-N 1 1 466.674 4.213 20 0 JIADMO 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 1069453313 /nfs/dbraw/zinc/45/33/13/1069453313.db2.gz KOVDJZSKCAGMHT-ZFGGDYGUSA-N 1 1 472.722 4.072 20 0 JIADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(Cc4ccccc4F)n3CCCC(C)(C)C)C[C@H]2C)CC1 ZINC001359380439 1069485049 /nfs/dbraw/zinc/48/50/49/1069485049.db2.gz LVEIGTFCUBNZRC-PXDATVDWSA-N 1 1 498.691 4.213 20 0 JIADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(Cc4ccccc4F)n3CCCC(C)(C)C)C[C@@H]2C)CC1 ZINC001359380440 1069485146 /nfs/dbraw/zinc/48/51/46/1069485146.db2.gz LVEIGTFCUBNZRC-SQJMNOBHSA-N 1 1 498.691 4.213 20 0 JIADMO CC(C)=CCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001359399584 1069505803 /nfs/dbraw/zinc/50/58/03/1069505803.db2.gz SJHPCBSGOPEXAB-MBSDFSHPSA-N 1 1 489.039 4.083 20 0 JIADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001359433501 1069560894 /nfs/dbraw/zinc/56/08/94/1069560894.db2.gz JQMBZGZJRJEAMY-NVXWUHKLSA-N 1 1 479.456 4.087 20 0 JIADMO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001359433611 1069560932 /nfs/dbraw/zinc/56/09/32/1069560932.db2.gz LZDUTYJZAWNQAV-LJQANCHMSA-N 1 1 491.055 4.355 20 0 JIADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001359433502 1069560971 /nfs/dbraw/zinc/56/09/71/1069560971.db2.gz JQMBZGZJRJEAMY-RDJZCZTQSA-N 1 1 479.456 4.087 20 0 JIADMO CC(=O)NC[C@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001359438984 1069568542 /nfs/dbraw/zinc/56/85/42/1069568542.db2.gz LFJYUSYZLPKWJK-RPWUZVMVSA-N 1 1 498.741 4.352 20 0 JIADMO CC(=O)NC[C@@H]1CCCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001359438982 1069568719 /nfs/dbraw/zinc/56/87/19/1069568719.db2.gz LFJYUSYZLPKWJK-BJKOFHAPSA-N 1 1 498.741 4.352 20 0 JIADMO CC(=O)NCC1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001359443652 1069575558 /nfs/dbraw/zinc/57/55/58/1069575558.db2.gz HJLFSHHIOOHXGQ-DEOSSOPVSA-N 1 1 487.092 4.320 20 0 JIADMO CC(=O)NCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001359462364 1069584915 /nfs/dbraw/zinc/58/49/15/1069584915.db2.gz BIERTIWMGGYTKR-UHFFFAOYSA-N 1 1 479.094 4.061 20 0 JIADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359463594 1069587530 /nfs/dbraw/zinc/58/75/30/1069587530.db2.gz QWVHNQSHSRNUAL-RBUKOAKNSA-N 1 1 498.697 4.480 20 0 JIADMO CC(C)(C)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001359514895 1069801300 /nfs/dbraw/zinc/80/13/00/1069801300.db2.gz CARNINZWNYRJLV-XMMPIXPASA-N 1 1 457.619 4.006 20 0 JIADMO CC(C)(C)c1nnc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1CCSC(F)(F)F ZINC001359518441 1069805416 /nfs/dbraw/zinc/80/54/16/1069805416.db2.gz BCZUIYRZURULHB-HDICACEKSA-N 1 1 453.578 4.397 20 0 JIADMO CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCC[N@H+]2CCC[C@H]2CO)CCO1 ZINC001359522195 1069810128 /nfs/dbraw/zinc/81/01/28/1069810128.db2.gz OCAMGJDYLFDOLF-UGKGYDQZSA-N 1 1 494.055 4.226 20 0 JIADMO CC(C)(C)Cc1nnc(N2CC[C@H](c3cccc(F)c3)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001359528831 1069818632 /nfs/dbraw/zinc/81/86/32/1069818632.db2.gz XVKGCMDEJGIDLJ-GMAHTHKFSA-N 1 1 457.638 4.237 20 0 JIADMO CC(C)(C)Cc1nnc(N2CC=C(C(F)(F)F)CC2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001359526917 1069816592 /nfs/dbraw/zinc/81/65/92/1069816592.db2.gz WCDCBQAJDLECFC-OAQYLSRUSA-N 1 1 477.575 4.180 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001359535229 1069828661 /nfs/dbraw/zinc/82/86/61/1069828661.db2.gz MVINQTJNKLVRDD-WOJBJXKFSA-N 1 1 485.677 4.067 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCS(=O)(=O)Cc1ccccc1 ZINC001359536920 1069831449 /nfs/dbraw/zinc/83/14/49/1069831449.db2.gz CQPMATXSXABGCG-UHFFFAOYSA-N 1 1 489.730 4.182 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC(C)(C)c1cccs1 ZINC001359537277 1069831763 /nfs/dbraw/zinc/83/17/63/1069831763.db2.gz QURZYUGHDKOTFK-UHFFFAOYSA-N 1 1 486.730 4.041 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC(C)(C)c1cccs1 ZINC001359537277 1069831768 /nfs/dbraw/zinc/83/17/68/1069831768.db2.gz QURZYUGHDKOTFK-UHFFFAOYSA-N 1 1 486.730 4.041 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001359539913 1069837203 /nfs/dbraw/zinc/83/72/03/1069837203.db2.gz AFNXLOFTCLXMEV-JOCHJYFZSA-N 1 1 492.634 4.116 20 0 JIADMO Cc1ccccc1O[C@@H](C)Cn1c(C2CCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001492595720 1069847514 /nfs/dbraw/zinc/84/75/14/1069847514.db2.gz BEHDCIAXHMPRAG-NRFANRHFSA-N 1 1 455.647 4.116 20 0 JIADMO Cc1ccccc1O[C@H](C)Cn1c(C2CCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001492595721 1069847639 /nfs/dbraw/zinc/84/76/39/1069847639.db2.gz BEHDCIAXHMPRAG-OAQYLSRUSA-N 1 1 455.647 4.116 20 0 JIADMO CO[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001300794938 1069847169 /nfs/dbraw/zinc/84/71/69/1069847169.db2.gz LSPONKSUANUJIK-LAUBAEHRSA-N 1 1 487.446 4.029 20 0 JIADMO 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CCCN(C(=O)NCc1ccccc1N1CCN(C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001338577083 1066565105 /nfs/dbraw/zinc/56/51/05/1066565105.db2.gz DTWAXZNHXOMGMB-AREMUKBSSA-N 1 1 463.670 4.025 20 0 JIADMO OCCCCCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001316589202 1066617275 /nfs/dbraw/zinc/61/72/75/1066617275.db2.gz XCASQOIBLGIWGT-UHFFFAOYSA-N 1 1 496.500 4.315 20 0 JIADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001316590696 1066619927 /nfs/dbraw/zinc/61/99/27/1066619927.db2.gz UJRSFRUJEYLTJV-HXUWFJFHSA-N 1 1 457.585 4.026 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)n2CCC(=O)N(C)C)c1 ZINC001492543198 1066663977 /nfs/dbraw/zinc/66/39/77/1066663977.db2.gz CZDJLSLFRSSWNV-HSZRJFAPSA-N 1 1 496.700 4.125 20 0 JIADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)C1 ZINC001347076228 1066673684 /nfs/dbraw/zinc/67/36/84/1066673684.db2.gz RJAGFQNSDORLNN-KLJDGLGGSA-N 1 1 464.606 4.067 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCOC[C@H]2C)c1 ZINC001492543857 1066675989 /nfs/dbraw/zinc/67/59/89/1066675989.db2.gz ZVVUIHWYDYBOEE-ISKFKSNPSA-N 1 1 469.674 4.395 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)cc2)C[C@H](C)O1 ZINC001317813258 1066703077 /nfs/dbraw/zinc/70/30/77/1066703077.db2.gz BJTPAPNAIWVGOG-UZINWLIJSA-N 1 1 458.606 4.348 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)cc2)C[C@H](C)O1 ZINC001317813258 1066703084 /nfs/dbraw/zinc/70/30/84/1066703084.db2.gz BJTPAPNAIWVGOG-UZINWLIJSA-N 1 1 458.606 4.348 20 0 JIADMO COc1ccc(Cn2ncc3cc(C(=O)N4CCC[N@@H+](Cc5ccc(C)cc5)CC4)cnc32)c(OC)c1 ZINC001317815957 1066705523 /nfs/dbraw/zinc/70/55/23/1066705523.db2.gz USHSWIRXNOLCLL-UHFFFAOYSA-N 1 1 499.615 4.153 20 0 JIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(Br)cnc1Br ZINC001348114198 1066721082 /nfs/dbraw/zinc/72/10/82/1066721082.db2.gz ZGZRJOYOKKMPAF-AWEZNQCLSA-N 1 1 457.166 4.157 20 0 JIADMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001348123161 1066722554 /nfs/dbraw/zinc/72/25/54/1066722554.db2.gz LZFBKZWOUARGAO-UHFFFAOYSA-N 1 1 454.411 4.369 20 0 JIADMO CC(C)c1ccc([C@@H](CNC(=O)NCCc2cnn(C)c2)[N@@H+]2CCc3sccc3C2)cc1 ZINC001317862903 1066739980 /nfs/dbraw/zinc/73/99/80/1066739980.db2.gz FCPXYGLUGTWJNA-HSZRJFAPSA-N 1 1 451.640 4.246 20 0 JIADMO CC(C)c1ccc([C@@H](CNC(=O)NCCc2cnn(C)c2)[N@H+]2CCc3sccc3C2)cc1 ZINC001317862903 1066739990 /nfs/dbraw/zinc/73/99/90/1066739990.db2.gz FCPXYGLUGTWJNA-HSZRJFAPSA-N 1 1 451.640 4.246 20 0 JIADMO CN1c2ccccc2[C@H](C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)CC1=O ZINC001317882822 1066752142 /nfs/dbraw/zinc/75/21/42/1066752142.db2.gz QIYCFXSHRRUVHL-AREMUKBSSA-N 1 1 468.601 4.093 20 0 JIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CCc2nc(-c3ccccc3)no2)c1 ZINC001317893395 1066763283 /nfs/dbraw/zinc/76/32/83/1066763283.db2.gz KSFCJBOZIYNVJR-QGZVFWFLSA-N 1 1 465.529 4.260 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CCc2nc(-c3ccccc3)no2)c1 ZINC001317893395 1066763290 /nfs/dbraw/zinc/76/32/90/1066763290.db2.gz KSFCJBOZIYNVJR-QGZVFWFLSA-N 1 1 465.529 4.260 20 0 JIADMO CCc1ccc([C@@H](NC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c2cccc(F)c2)cc1 ZINC001317898571 1066768790 /nfs/dbraw/zinc/76/87/90/1066768790.db2.gz CEEICQHDRCKDNL-HHHXNRCGSA-N 1 1 488.607 4.365 20 0 JIADMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1nn(-c2ccccc2F)cc1Br ZINC001317904793 1066774313 /nfs/dbraw/zinc/77/43/13/1066774313.db2.gz YOAQCRKIXSTQNW-QGZVFWFLSA-N 1 1 457.347 4.168 20 0 JIADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC001349133426 1066812560 /nfs/dbraw/zinc/81/25/60/1066812560.db2.gz ADSRFTKSLWYEHR-TZIWHRDSSA-N 1 1 472.427 4.361 20 0 JIADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2c(F)ccc(C(F)(F)F)c2Br)C[C@@H](C)O1 ZINC001349420438 1066840011 /nfs/dbraw/zinc/84/00/11/1066840011.db2.gz QIMINZMUVAOKEA-GHMZBOCLSA-N 1 1 455.290 4.225 20 0 JIADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001318006411 1066847910 /nfs/dbraw/zinc/84/79/10/1066847910.db2.gz WCKNIRSTKZCXBU-HXUWFJFHSA-N 1 1 481.044 4.318 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CCCOC(C)C)c1 ZINC001492546774 1066852638 /nfs/dbraw/zinc/85/26/38/1066852638.db2.gz BBOJYVFNEUQCQH-QFIPXVFZSA-N 1 1 455.647 4.291 20 0 JIADMO C[C@@H](CCc1ccc(I)cc1)CC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC001349791919 1066883070 /nfs/dbraw/zinc/88/30/70/1066883070.db2.gz AZRQLHFNXDSSQT-MAUKXSAKSA-N 1 1 454.352 4.262 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)C1 ZINC001318083670 1066891555 /nfs/dbraw/zinc/89/15/55/1066891555.db2.gz GSRRYEYYLBPQMA-SFHVURJKSA-N 1 1 458.400 4.092 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)C1 ZINC001318084325 1066892026 /nfs/dbraw/zinc/89/20/26/1066892026.db2.gz XJANOKPPVBCOSW-RMXYQJDTSA-N 1 1 463.622 4.336 20 0 JIADMO CC(C)c1ccc(C2(C(=O)NCc3cccc(NC(=O)CC[NH+]4CCOCC4)c3)CCC2)cc1 ZINC001318085703 1066893403 /nfs/dbraw/zinc/89/34/03/1066893403.db2.gz DZWBWRNYBFUKEN-UHFFFAOYSA-N 1 1 463.622 4.209 20 0 JIADMO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C2=O ZINC001349930488 1066897936 /nfs/dbraw/zinc/89/79/36/1066897936.db2.gz IMNYDMRUDGQABP-RTBURBONSA-N 1 1 454.615 4.136 20 0 JIADMO O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318103244 1066900897 /nfs/dbraw/zinc/90/08/97/1066900897.db2.gz XXCDLCQYHJUBGQ-LJQANCHMSA-N 1 1 472.014 4.029 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCN(C(C)C)CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001492547187 1066916070 /nfs/dbraw/zinc/91/60/70/1066916070.db2.gz QPVGBYAICSDCOW-HOFKKMOUSA-N 1 1 468.690 4.206 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001492547545 1066931068 /nfs/dbraw/zinc/93/10/68/1066931068.db2.gz BMNZTAFPJKPEII-NOZRDPDXSA-N 1 1 469.674 4.395 20 0 JIADMO Cc1cscc1Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001492547655 1066933423 /nfs/dbraw/zinc/93/34/23/1066933423.db2.gz GAHRZJDRCQRRHH-UHFFFAOYSA-N 1 1 469.655 4.131 20 0 JIADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001350415737 1066956262 /nfs/dbraw/zinc/95/62/62/1066956262.db2.gz GMAZOFLVXKXYKW-RCZVLFRGSA-N 1 1 469.651 4.204 20 0 JIADMO O=C(COc1ccc(Cl)cc1Br)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC001318213149 1066962713 /nfs/dbraw/zinc/96/27/13/1066962713.db2.gz WYNJRIRKSDLDPJ-UHFFFAOYSA-N 1 1 492.801 4.407 20 0 JIADMO COc1ccc(NC(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)cc1OC1CCCC1 ZINC001318225855 1066970535 /nfs/dbraw/zinc/97/05/35/1066970535.db2.gz IWUZBCSOFMUWGC-UHFFFAOYSA-N 1 1 452.599 4.086 20 0 JIADMO CC(C)Oc1ccc(CC[C@H](C)NC(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001318225872 1066970808 /nfs/dbraw/zinc/97/08/08/1066970808.db2.gz GNRMLLNVLQKBNE-QFIPXVFZSA-N 1 1 452.643 4.042 20 0 JIADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001350564298 1066972021 /nfs/dbraw/zinc/97/20/21/1066972021.db2.gz MTLQPVFDLSZCSN-RXVVDRJESA-N 1 1 457.640 4.467 20 0 JIADMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001350564298 1066972032 /nfs/dbraw/zinc/97/20/32/1066972032.db2.gz MTLQPVFDLSZCSN-RXVVDRJESA-N 1 1 457.640 4.467 20 0 JIADMO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c1 ZINC001318232119 1066975198 /nfs/dbraw/zinc/97/51/98/1066975198.db2.gz AGVBQTPEFLRDNI-UHFFFAOYSA-N 1 1 485.075 4.454 20 0 JIADMO Cc1cccc(NC(=O)CSCC(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)c1 ZINC001318241472 1066979547 /nfs/dbraw/zinc/97/95/47/1066979547.db2.gz VNQAFPIGPAUFSU-UHFFFAOYSA-N 1 1 451.596 4.168 20 0 JIADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc3cc(Br)cnc3n2C)C[C@H](C)O1 ZINC001350763823 1066998246 /nfs/dbraw/zinc/99/82/46/1066998246.db2.gz XVXCLNJIGIXQDO-GJZGRUSLSA-N 1 1 457.372 4.197 20 0 JIADMO COc1cc([C@H](C)NC(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)ccc1OC1CCCC1 ZINC001318279911 1066999666 /nfs/dbraw/zinc/99/96/66/1066999666.db2.gz CIQHHUSTNQQOKF-NRFANRHFSA-N 1 1 480.653 4.324 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)c2)CC1 ZINC001318281422 1067000453 /nfs/dbraw/zinc/00/04/53/1067000453.db2.gz ROTASMQFDGXOKR-DEOSSOPVSA-N 1 1 452.599 4.223 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3cccc(CSc4ccccn4)c3)c2)CC1 ZINC001318281591 1067000688 /nfs/dbraw/zinc/00/06/88/1067000688.db2.gz ODKLTUSQTSZRIB-UHFFFAOYSA-N 1 1 461.635 4.443 20 0 JIADMO CN1CC[N@@H+](CCCNC(=O)N2CCC(Nc3ccccc3Cl)CC2)[C@H](c2ccccc2)C1 ZINC001318299079 1067007603 /nfs/dbraw/zinc/00/76/03/1067007603.db2.gz XHBGCUREJZLUQK-VWLOTQADSA-N 1 1 470.061 4.305 20 0 JIADMO C[N@@H+]1CCN(CCCNC(=O)N2CCC(Nc3ccccc3Cl)CC2)[C@H](c2ccccc2)C1 ZINC001318299079 1067007609 /nfs/dbraw/zinc/00/76/09/1067007609.db2.gz XHBGCUREJZLUQK-VWLOTQADSA-N 1 1 470.061 4.305 20 0 JIADMO C[N@H+]1CCN(CCCNC(=O)N2CCC(Nc3ccccc3Cl)CC2)[C@H](c2ccccc2)C1 ZINC001318299079 1067007617 /nfs/dbraw/zinc/00/76/17/1067007617.db2.gz XHBGCUREJZLUQK-VWLOTQADSA-N 1 1 470.061 4.305 20 0 JIADMO O=C(NC1CC1)[C@H]1CCC[N@H+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001318305103 1067009184 /nfs/dbraw/zinc/00/91/84/1067009184.db2.gz BFJPSSAJAFKDHF-CVDCTZTESA-N 1 1 477.432 4.451 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCSC[C@H]2C)n1CCCn1cc[nH+]c1C ZINC001300687170 1067030254 /nfs/dbraw/zinc/03/02/54/1067030254.db2.gz MSXQYAQIIZKZPV-QGZVFWFLSA-N 1 1 458.657 4.116 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001318416854 1067040632 /nfs/dbraw/zinc/04/06/32/1067040632.db2.gz DOYJOBXMAADUQR-MRXNPFEDSA-N 1 1 451.958 4.194 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC001318416850 1067040719 /nfs/dbraw/zinc/04/07/19/1067040719.db2.gz DOYJOBXMAADUQR-INIZCTEOSA-N 1 1 451.958 4.194 20 0 JIADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1nn(-c2ccccc2F)cc1Br ZINC001318476546 1067047411 /nfs/dbraw/zinc/04/74/11/1067047411.db2.gz HVDJPNIXUACKDE-GOSISDBHSA-N 1 1 471.374 4.068 20 0 JIADMO Cc1cc(N2CCC(NC(=O)c3cnn(-c4ccccc4Cl)c3C(C)C)CC2)nc(C)[nH+]1 ZINC001354696766 1067049504 /nfs/dbraw/zinc/04/95/04/1067049504.db2.gz OCIZSHQOQMHLEQ-UHFFFAOYSA-N 1 1 452.990 4.455 20 0 JIADMO CCOc1ccc(CN(C)C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1OC ZINC001319025529 1067064471 /nfs/dbraw/zinc/06/44/71/1067064471.db2.gz LZWDECMMSZNUNX-BGYRXZFFSA-N 1 1 455.599 4.045 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc3ccc(Br)cc3c(=O)o2)cc1F ZINC001351325134 1067077250 /nfs/dbraw/zinc/07/72/50/1067077250.db2.gz FZFMTXAKWMUSHV-UHFFFAOYSA-N 1 1 456.271 4.119 20 0 JIADMO Cc1cccc(C)c1NC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001492487292 1067084287 /nfs/dbraw/zinc/08/42/87/1067084287.db2.gz SMEDOYRMCREEJM-UHFFFAOYSA-N 1 1 477.657 4.096 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001321486697 1067143630 /nfs/dbraw/zinc/14/36/30/1067143630.db2.gz RCWLEQVDQFUJNN-IBGZPJMESA-N 1 1 463.557 4.179 20 0 JIADMO COc1cccc(Br)c1[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=S)NC(C)C ZINC001200795912 1067150733 /nfs/dbraw/zinc/15/07/33/1067150733.db2.gz XJCGHDVDVJJVJH-HKUYNNGSSA-N 1 1 462.457 4.298 20 0 JIADMO CCC[N@@H+]1C[C@H]2CN(C(=S)Nc3c(F)cc(Br)cc3Br)C[C@H]2C1 ZINC001200801080 1067198799 /nfs/dbraw/zinc/19/87/99/1067198799.db2.gz DKSKKVQMVHAWIU-PHIMTYICSA-N 1 1 465.230 4.321 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC001322120149 1067254029 /nfs/dbraw/zinc/25/40/29/1067254029.db2.gz JJROWPLBELXXPI-MQAYZUIZSA-N 1 1 469.695 4.325 20 0 JIADMO Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001351975930 1067260012 /nfs/dbraw/zinc/26/00/12/1067260012.db2.gz JADOUZFIUFTROU-SHQCIBLASA-N 1 1 462.615 4.427 20 0 JIADMO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001200811851 1067264698 /nfs/dbraw/zinc/26/46/98/1067264698.db2.gz YVMBQLDNDBQNFQ-UHFFFAOYSA-N 1 1 468.454 4.301 20 0 JIADMO COc1ccc(OCC(F)(F)C(F)F)c(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC001352082263 1067283278 /nfs/dbraw/zinc/28/32/78/1067283278.db2.gz YHFOLHZNKGRGKD-OAHLLOKOSA-N 1 1 454.464 4.151 20 0 JIADMO CC(=O)N[C@H](CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1c(F)cccc1F ZINC001322391911 1067285247 /nfs/dbraw/zinc/28/52/47/1067285247.db2.gz AKSSFYPCIAIJTA-OAQYLSRUSA-N 1 1 455.509 4.033 20 0 JIADMO CSc1cccc(N2C[C@H](C(=O)Nc3ccc4[nH]c(C[NH+]5CCCCC5)nc4c3)CC2=O)c1 ZINC001322392579 1067286253 /nfs/dbraw/zinc/28/62/53/1067286253.db2.gz IKDVOTZPPXDGIX-QGZVFWFLSA-N 1 1 463.607 4.262 20 0 JIADMO Cc1cccc(C)c1NC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001492492735 1067288419 /nfs/dbraw/zinc/28/84/19/1067288419.db2.gz QUGOMSCKVDJSGW-UHFFFAOYSA-N 1 1 489.668 4.076 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001300764109 1067305356 /nfs/dbraw/zinc/30/53/56/1067305356.db2.gz UXNXXEOQNRPLOY-XMMPIXPASA-N 1 1 485.673 4.096 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001300764109 1067305363 /nfs/dbraw/zinc/30/53/63/1067305363.db2.gz UXNXXEOQNRPLOY-XMMPIXPASA-N 1 1 485.673 4.096 20 0 JIADMO Cc1ccccc1Cc1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001492579344 1067313884 /nfs/dbraw/zinc/31/38/84/1067313884.db2.gz INKYYWFBHZNZFH-ZJSXRUAMSA-N 1 1 496.700 4.401 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[N@@H+]1CC=CCC1 ZINC001492552920 1067340161 /nfs/dbraw/zinc/34/01/61/1067340161.db2.gz FNTWRFKSGDVMMI-NVQXNPDNSA-N 1 1 453.631 4.086 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC001492498262 1067341787 /nfs/dbraw/zinc/34/17/87/1067341787.db2.gz WXZVUNLYXRGCHP-ICSRJNTNSA-N 1 1 496.059 4.497 20 0 JIADMO CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1C ZINC001200003415 1067341875 /nfs/dbraw/zinc/34/18/75/1067341875.db2.gz MISBRKJHCNOWCT-JOCHJYFZSA-N 1 1 458.628 4.179 20 0 JIADMO Cc1ccccc1[C@@H](C)N(C)c1nnc(CC(C)C)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001492553493 1067347537 /nfs/dbraw/zinc/34/75/37/1067347537.db2.gz KUFHUIRJRJSHLN-PXDATVDWSA-N 1 1 457.688 4.190 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3nc4ccsc4c(=O)[nH]3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001300005883 1067353726 /nfs/dbraw/zinc/35/37/26/1067353726.db2.gz KRGIEBYCHDJEME-UHFFFAOYSA-N 1 1 481.626 4.031 20 0 JIADMO CC(=O)Nc1c(C)ccc(NC(=O)N2CC[C@@]3(C2)C[N@@H+](Cc2ccccc2)C[C@H](C)O3)c1C ZINC001200009988 1067355824 /nfs/dbraw/zinc/35/58/24/1067355824.db2.gz GYANIJITHXZVDA-SIBVEZHUSA-N 1 1 450.583 4.159 20 0 JIADMO CC(=O)Nc1c(C)ccc(NC(=O)N2CC[C@@]3(C2)C[N@H+](Cc2ccccc2)C[C@H](C)O3)c1C ZINC001200009988 1067355838 /nfs/dbraw/zinc/35/58/38/1067355838.db2.gz GYANIJITHXZVDA-SIBVEZHUSA-N 1 1 450.583 4.159 20 0 JIADMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)Nc2cc(S(C)(=O)=O)ccc2F)c1 ZINC001355055130 1067364445 /nfs/dbraw/zinc/36/44/45/1067364445.db2.gz DOHUAVYHVQJPLK-XZOQPEGZSA-N 1 1 466.578 4.392 20 0 JIADMO CC(C)(C)OC(=O)NC[C@@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(F)(F)F ZINC001300014447 1067370976 /nfs/dbraw/zinc/37/09/76/1067370976.db2.gz STLHXRMRNYZRNL-NVXWUHKLSA-N 1 1 458.525 4.065 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1CCC(=O)N(C)C ZINC001492581724 1067386143 /nfs/dbraw/zinc/38/61/43/1067386143.db2.gz OWKTVKBYPKFONO-QHCPKHFHSA-N 1 1 480.701 4.137 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)cc1Br ZINC001300021731 1067386233 /nfs/dbraw/zinc/38/62/33/1067386233.db2.gz JFRYPWIZYWKFPF-JYJNAYRXSA-N 1 1 462.436 4.291 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@H](C)CC(C)(C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1OC ZINC001300022080 1067387206 /nfs/dbraw/zinc/38/72/06/1067387206.db2.gz QDBULDJWUJWDGX-OAQYLSRUSA-N 1 1 498.716 4.108 20 0 JIADMO COc1ccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2CC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC001300027070 1067399723 /nfs/dbraw/zinc/39/97/23/1067399723.db2.gz IJYREYVVABCJRX-KRWDZBQOSA-N 1 1 479.547 4.393 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2nn(-c3ccccc3)cc2Br)cc1F ZINC001355405652 1067451807 /nfs/dbraw/zinc/45/18/07/1067451807.db2.gz NZRQBIKUNZDMTO-UHFFFAOYSA-N 1 1 454.303 4.198 20 0 JIADMO COc1ccc(-c2nnc(N3CC[C@@H](C4CC4)C3)n2CC[N@@H+](C)C(C)C)cc1Br ZINC001300038943 1067453922 /nfs/dbraw/zinc/45/39/22/1067453922.db2.gz TUZMVAQRBXKCTG-GOSISDBHSA-N 1 1 462.436 4.293 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(CC(F)(F)F)CC3)n2CCn2cc[nH+]c2C)cc1OC ZINC001300040421 1067462211 /nfs/dbraw/zinc/46/22/11/1067462211.db2.gz OUJMBDNEROSZHN-UHFFFAOYSA-N 1 1 478.519 4.336 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(F)(F)CC3)n2CC[N@H+]2CCC[C@H]2C)cc1Br ZINC001300041544 1067472365 /nfs/dbraw/zinc/47/23/65/1067472365.db2.gz IGUFFKVMNLTCOQ-OAHLLOKOSA-N 1 1 484.389 4.436 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC001300042086 1067477588 /nfs/dbraw/zinc/47/75/88/1067477588.db2.gz VOKPGNHIPNAWHA-SFHVURJKSA-N 1 1 463.573 4.320 20 0 JIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC001355502615 1067492303 /nfs/dbraw/zinc/49/23/03/1067492303.db2.gz APXIQFJNOGOEIY-CABCVRRESA-N 1 1 454.411 4.268 20 0 JIADMO CC[C@H](NC(=O)c1cc(F)c(Br)cc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355544242 1067505704 /nfs/dbraw/zinc/50/57/04/1067505704.db2.gz GBINDCFMUQDMKN-PMACEKPBSA-N 1 1 453.327 4.137 20 0 JIADMO CC[C@H](NC(=O)c1cc(F)c(Br)cc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355544242 1067505711 /nfs/dbraw/zinc/50/57/11/1067505711.db2.gz GBINDCFMUQDMKN-PMACEKPBSA-N 1 1 453.327 4.137 20 0 JIADMO CC[C@H](NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355545079 1067506688 /nfs/dbraw/zinc/50/66/88/1067506688.db2.gz KSLMPJIWOXUCBE-VQTJNVASSA-N 1 1 456.493 4.084 20 0 JIADMO CC[C@H](NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355545079 1067506712 /nfs/dbraw/zinc/50/67/12/1067506712.db2.gz KSLMPJIWOXUCBE-VQTJNVASSA-N 1 1 456.493 4.084 20 0 JIADMO COc1ccc(CCNC(=S)N2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cc1OC ZINC001200071745 1067523322 /nfs/dbraw/zinc/52/33/22/1067523322.db2.gz DDKUQDYAPPJXFU-HSZRJFAPSA-N 1 1 457.640 4.090 20 0 JIADMO COc1ccc(CCNC(=S)N2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)cc1OC ZINC001200076096 1067538077 /nfs/dbraw/zinc/53/80/77/1067538077.db2.gz GGLBUOFNKOELBW-HWBMXIPRSA-N 1 1 453.652 4.231 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@H](OC)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300055980 1067538174 /nfs/dbraw/zinc/53/81/74/1067538174.db2.gz DPXKXAKKXDFIRR-IRLDBZIGSA-N 1 1 471.646 4.090 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CCCn2cc[nH+]c2C)cc1 ZINC001300056336 1067540578 /nfs/dbraw/zinc/54/05/78/1067540578.db2.gz MYOQSCFSQJPPNS-QFIPXVFZSA-N 1 1 452.603 4.333 20 0 JIADMO COC(=O)/C=C/c1ccc(OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)c(OC)c1 ZINC001352580746 1067553016 /nfs/dbraw/zinc/55/30/16/1067553016.db2.gz RAARPFPWCCHQKO-QCYKNMLGSA-N 1 1 478.570 4.159 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CCCNC(=O)OC(C)(C)C)cc1 ZINC001300063225 1067572364 /nfs/dbraw/zinc/57/23/64/1067572364.db2.gz OEZYHZOUVGMNIY-UHFFFAOYSA-N 1 1 498.672 4.323 20 0 JIADMO CCOc1ccc(OCC(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC001355801886 1067583305 /nfs/dbraw/zinc/58/33/05/1067583305.db2.gz YFNZKXIWRJIDGT-UHFFFAOYSA-N 1 1 459.590 4.421 20 0 JIADMO COc1ccc(-c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CCCCOC(C)C)cc1 ZINC001300070918 1067591861 /nfs/dbraw/zinc/59/18/61/1067591861.db2.gz NVQSCJYJEUMQJD-OAQYLSRUSA-N 1 1 455.647 4.470 20 0 JIADMO COc1ccc(-c2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1 ZINC001300076419 1067603535 /nfs/dbraw/zinc/60/35/35/1067603535.db2.gz OSPJMASFWIEOKW-GGAORHGYSA-N 1 1 498.672 4.178 20 0 JIADMO COc1ccc(-c2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC[N@@H+](C)C2CCCC2)c(OC)c1 ZINC001300077918 1067609661 /nfs/dbraw/zinc/60/96/61/1067609661.db2.gz CQTXWIRXLQCMPE-HHHXNRCGSA-N 1 1 485.673 4.478 20 0 JIADMO COc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300077978 1067610102 /nfs/dbraw/zinc/61/01/02/1067610102.db2.gz DOKJZPIWYIZOCY-PXNSSMCTSA-N 1 1 481.563 4.232 20 0 JIADMO CC(C)(C)OC(=O)N1CCc2nc(CNC[C@H]3CC[N@@H+](CCc4ccccc4)C3)sc2C1 ZINC001200106016 1067630184 /nfs/dbraw/zinc/63/01/84/1067630184.db2.gz QVOCGHHLIXGTTE-HXUWFJFHSA-N 1 1 456.656 4.091 20 0 JIADMO COc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CC[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300089785 1067642731 /nfs/dbraw/zinc/64/27/31/1067642731.db2.gz QZELPOZLYABVKZ-GBESFXJTSA-N 1 1 459.660 4.024 20 0 JIADMO 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 1067644226 /nfs/dbraw/zinc/64/42/26/1067644226.db2.gz ZEJDVVCCOIENID-URVUXULASA-N 1 1 498.672 4.178 20 0 JIADMO COc1ccc([C@@H]2CCCN2c2nnc(CC(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1OC ZINC001300097660 1067664389 /nfs/dbraw/zinc/66/43/89/1067664389.db2.gz CEDVMYSTNWZRLB-GOTSBHOMSA-N 1 1 485.673 4.192 20 0 JIADMO COc1ccc(C2CCN(c3nnc(CC(C)C)n3C[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)cc1 ZINC001300099540 1067671453 /nfs/dbraw/zinc/67/14/53/1067671453.db2.gz HFHJVJHSYWRQOO-RUZDIDTESA-N 1 1 469.674 4.226 20 0 JIADMO Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2)cc1F ZINC001356145046 1067671664 /nfs/dbraw/zinc/67/16/64/1067671664.db2.gz DCKKBJRTCQLRHC-FGTMMUONSA-N 1 1 452.530 4.284 20 0 JIADMO Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2)cc1F ZINC001356145046 1067671676 /nfs/dbraw/zinc/67/16/76/1067671676.db2.gz DCKKBJRTCQLRHC-FGTMMUONSA-N 1 1 452.530 4.284 20 0 JIADMO C[C@H](c1ccc(NC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1)N1CCOCC1 ZINC001200123105 1067687047 /nfs/dbraw/zinc/68/70/47/1067687047.db2.gz XWDYHHRXIDAEAV-SRCYTUNASA-N 1 1 450.627 4.358 20 0 JIADMO COc1ccc(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)cc1OC ZINC001300106922 1067696019 /nfs/dbraw/zinc/69/60/19/1067696019.db2.gz KNDFDPSJGHJDPR-NZQKXSOJSA-N 1 1 485.673 4.336 20 0 JIADMO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001352757552 1067706169 /nfs/dbraw/zinc/70/61/69/1067706169.db2.gz QLFVHIDWILAWQG-VQTJNVASSA-N 1 1 452.064 4.148 20 0 JIADMO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001352757552 1067706184 /nfs/dbraw/zinc/70/61/84/1067706184.db2.gz QLFVHIDWILAWQG-VQTJNVASSA-N 1 1 452.064 4.148 20 0 JIADMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001352757824 1067706791 /nfs/dbraw/zinc/70/67/91/1067706791.db2.gz UGBWRDDEWCTGBG-BJKOFHAPSA-N 1 1 459.993 4.023 20 0 JIADMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001352757824 1067706801 /nfs/dbraw/zinc/70/68/01/1067706801.db2.gz UGBWRDDEWCTGBG-BJKOFHAPSA-N 1 1 459.993 4.023 20 0 JIADMO COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)Nc1ccc([C@@H](C)[NH+]3CCOCC3)cc1)CCC2 ZINC001200128866 1067709530 /nfs/dbraw/zinc/70/95/30/1067709530.db2.gz JJYKWQZTFCNSCM-XMSQKQJNSA-N 1 1 451.567 4.108 20 0 JIADMO COc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)c(OC)c1OC ZINC001352766257 1067709552 /nfs/dbraw/zinc/70/95/52/1067709552.db2.gz YWTBGWMZOCAGPX-XZOQPEGZSA-N 1 1 452.595 4.267 20 0 JIADMO Cc1ccc(NC(=O)Cc2ccc(Br)s2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001356262455 1067709794 /nfs/dbraw/zinc/70/97/94/1067709794.db2.gz SPDPCILUBRECGB-UHFFFAOYSA-N 1 1 450.402 4.425 20 0 JIADMO COc1ccc(CCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300113195 1067717534 /nfs/dbraw/zinc/71/75/34/1067717534.db2.gz CGHZJCKCOKYXDB-DNQXCXABSA-N 1 1 469.674 4.198 20 0 JIADMO COc1ccc(CCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300113196 1067717596 /nfs/dbraw/zinc/71/75/96/1067717596.db2.gz CGHZJCKCOKYXDB-RPWUZVMVSA-N 1 1 469.674 4.198 20 0 JIADMO 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COc1ccc(CCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCOC(C)(C)C)cc1 ZINC001300123389 1067743799 /nfs/dbraw/zinc/74/37/99/1067743799.db2.gz SFXLBDZUIYUKNB-UHFFFAOYSA-N 1 1 457.663 4.198 20 0 JIADMO COc1ccc(CCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001300123337 1067743928 /nfs/dbraw/zinc/74/39/28/1067743928.db2.gz RRJZURHJQSHJHJ-UGKGYDQZSA-N 1 1 495.590 4.104 20 0 JIADMO COc1ccc(CCc2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CCC(C)(F)F)cc1 ZINC001300126378 1067753165 /nfs/dbraw/zinc/75/31/65/1067753165.db2.gz FGOHBDIWOYCACY-IBGZPJMESA-N 1 1 461.601 4.428 20 0 JIADMO Cc1ccc(NC(=S)N2CC[N@H+]3C[C@@H](OCc4cccc(C)n4)C[C@@H]3C2)c(Br)c1 ZINC001200147020 1067757928 /nfs/dbraw/zinc/75/79/28/1067757928.db2.gz ZUXDIEQLFGMUNX-MOPGFXCFSA-N 1 1 475.456 4.133 20 0 JIADMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC001356560928 1067778609 /nfs/dbraw/zinc/77/86/09/1067778609.db2.gz CUQQFJLTBQDYTQ-UYAOXDASSA-N 1 1 471.648 4.433 20 0 JIADMO CCOC(=O)[C@]1(NC(=S)Nc2ccc(C)cc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC001200156786 1067779300 /nfs/dbraw/zinc/77/93/00/1067779300.db2.gz QQOLXQNXUMXJER-QFIPXVFZSA-N 1 1 476.440 4.252 20 0 JIADMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)CC2CCC(C(F)(F)F)CC2)ccc1F ZINC001356562610 1067779410 /nfs/dbraw/zinc/77/94/10/1067779410.db2.gz SXSMLWJIAHSPCI-UHFFFAOYSA-N 1 1 459.484 4.184 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001492584409 1067798099 /nfs/dbraw/zinc/79/80/99/1067798099.db2.gz KIIANWRLUVZQLH-XMMPIXPASA-N 1 1 494.728 4.430 20 0 JIADMO Cc1cc(NC(=O)[C@H](C)SCC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)no1 ZINC000484660463 1067804243 /nfs/dbraw/zinc/80/42/43/1067804243.db2.gz XWCAOBGNXDKWAP-PXNSSMCTSA-N 1 1 484.647 4.021 20 0 JIADMO Cc1cc(NC(=O)[C@H](C)SCC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)no1 ZINC000484660463 1067804247 /nfs/dbraw/zinc/80/42/47/1067804247.db2.gz XWCAOBGNXDKWAP-PXNSSMCTSA-N 1 1 484.647 4.021 20 0 JIADMO C[N@@H+](CCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1)C1CCCCC1 ZINC001300154135 1067810560 /nfs/dbraw/zinc/81/05/60/1067810560.db2.gz LUCAKXWDPHRUFE-NNWRFLSQSA-N 1 1 451.652 4.094 20 0 JIADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(Cc3ccccc3)Cc3ccccc3)cc2)CC1 ZINC001357176576 1067814511 /nfs/dbraw/zinc/81/45/11/1067814511.db2.gz SDZOLJXGJRISQZ-UHFFFAOYSA-N 1 1 455.602 4.043 20 0 JIADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC001357186288 1067815813 /nfs/dbraw/zinc/81/58/13/1067815813.db2.gz QYJFNTQSSACDNZ-UHFFFAOYSA-N 1 1 458.002 4.334 20 0 JIADMO Cc1ccc(NC(=O)c2c(C(F)(F)F)nc3ccccn32)cc1NC(=O)C[NH+]1CCCCC1 ZINC001357208470 1067818634 /nfs/dbraw/zinc/81/86/34/1067818634.db2.gz ARRZNEOJSHNOPW-UHFFFAOYSA-N 1 1 459.472 4.338 20 0 JIADMO COc1cc(Br)cc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001357205940 1067818648 /nfs/dbraw/zinc/81/86/48/1067818648.db2.gz RCXZHZYUZCFHRQ-IBGZPJMESA-N 1 1 455.356 4.354 20 0 JIADMO Cc1ccc(NC(=O)c2cc(NCc3ccccc3)ccn2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001357209308 1067818915 /nfs/dbraw/zinc/81/89/15/1067818915.db2.gz JUVRWYWQFUJIPX-UHFFFAOYSA-N 1 1 457.578 4.101 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)C(C)C)cc1F ZINC001300164392 1067821830 /nfs/dbraw/zinc/82/18/30/1067821830.db2.gz QWLUUCNNRDUGDP-UHFFFAOYSA-N 1 1 479.398 4.160 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001492584891 1067823347 /nfs/dbraw/zinc/82/33/47/1067823347.db2.gz UXKAWFLTLMOKDB-RSEQLOHWSA-N 1 1 494.728 4.429 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001492585228 1067826037 /nfs/dbraw/zinc/82/60/37/1067826037.db2.gz BJLMXWHMQNXOJC-UHFFFAOYSA-N 1 1 496.700 4.356 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC001300169300 1067827294 /nfs/dbraw/zinc/82/72/94/1067827294.db2.gz DCRYTHKIUHZNDX-GOTSBHOMSA-N 1 1 455.647 4.246 20 0 JIADMO 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ZINC001358257748 1068053300 /nfs/dbraw/zinc/05/33/00/1068053300.db2.gz UIZBCDJSOWFIIT-UHFFFAOYSA-N 1 1 458.400 4.404 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC001358344839 1068070657 /nfs/dbraw/zinc/07/06/57/1068070657.db2.gz UGQRIXFYVUCHDF-XLXASQRYSA-N 1 1 451.876 4.374 20 0 JIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC001358344839 1068070668 /nfs/dbraw/zinc/07/06/68/1068070668.db2.gz UGQRIXFYVUCHDF-XLXASQRYSA-N 1 1 451.876 4.374 20 0 JIADMO CC(C)(C)OC(=O)CN1CC[C@H]([NH2+][C@H](CC(F)(F)F)c2cccc(C(F)(F)F)c2)C1=O ZINC001473366541 1068073875 /nfs/dbraw/zinc/07/38/75/1068073875.db2.gz UWCKZSKIXRRBPB-LSDHHAIUSA-N 1 1 454.411 4.231 20 0 JIADMO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+]1CC[C@H](CC(C)(C)C)C1(C)C ZINC001473544107 1068231868 /nfs/dbraw/zinc/23/18/68/1068231868.db2.gz WXWGJKBDZKDYHY-OAHLLOKOSA-N 1 1 451.633 4.068 20 0 JIADMO CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CC[NH+](Cc3ccn(-c4ccccc4F)n3)CC2)C1 ZINC001473552672 1068245946 /nfs/dbraw/zinc/24/59/46/1068245946.db2.gz XHZWPBCQANPXPF-WMZHIEFXSA-N 1 1 458.578 4.296 20 0 JIADMO COc1cccc(C(C)(C)Cn2c(C3CCCC3)nnc2N2CC[NH+](CCOC(C)C)CC2)c1 ZINC001300329663 1068267641 /nfs/dbraw/zinc/26/76/41/1068267641.db2.gz GDSLUOZPWMXUQR-UHFFFAOYSA-N 1 1 469.674 4.469 20 0 JIADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000612990463 1068280010 /nfs/dbraw/zinc/28/00/10/1068280010.db2.gz XLYWVJLLMJDSHU-UHFFFAOYSA-N 1 1 473.599 4.123 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C(C)C)n3Cc3ccnc(SC)c3)CC2)c1 ZINC001300332617 1068285138 /nfs/dbraw/zinc/28/51/38/1068285138.db2.gz MMHKXMHCPOWVQE-IBGZPJMESA-N 1 1 466.655 4.459 20 0 JIADMO COCCSCCC[N@H+]1CCOC[C@H]1C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001473822702 1068285583 /nfs/dbraw/zinc/28/55/83/1068285583.db2.gz KMWONEKLMZVGNY-WOJBJXKFSA-N 1 1 450.645 4.386 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3C[C@@](C)(O)c3ccsc3)CC2)c1 ZINC001300333960 1068297042 /nfs/dbraw/zinc/29/70/42/1068297042.db2.gz DITYIGJVDFCNDW-FQRUVTKNSA-N 1 1 483.682 4.338 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc([C@H]4CCCCO4)n3C[C@@H](C)SC)CC2)c1 ZINC001300335981 1068310022 /nfs/dbraw/zinc/31/00/22/1068310022.db2.gz XPTHTMNFPSKPAS-XQBPLPMBSA-N 1 1 459.660 4.163 20 0 JIADMO CC[N@@H+](CCCNC(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1)C1CCCCC1 ZINC001300337755 1068314470 /nfs/dbraw/zinc/31/44/70/1068314470.db2.gz MSBJHTBSMFCMFC-UHFFFAOYSA-N 1 1 457.619 4.134 20 0 JIADMO COc1ccc(CNc2nnc(S[C@@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)s2)cc1 ZINC000519900201 1068317608 /nfs/dbraw/zinc/31/76/08/1068317608.db2.gz DSKBOPBDRXAQRP-PXNSSMCTSA-N 1 1 483.663 4.030 20 0 JIADMO C[C@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000520165652 1068321786 /nfs/dbraw/zinc/32/17/86/1068321786.db2.gz VVCMXDUJWDYNDO-KXBFYZLASA-N 1 1 457.600 4.292 20 0 JIADMO COc1cccc(-c2nnc(N(C)C3CCC(NC(C)=O)CC3)n2CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001300346325 1068345377 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455.574 4.153 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001300506742 1068879619 /nfs/dbraw/zinc/87/96/19/1068879619.db2.gz WPZPVCRWMOEDTF-FQEVSTJZSA-N 1 1 486.661 4.035 20 0 JIADMO C[C@@H]1C[C@@H](N(C)C(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC[N@H+]1C ZINC001354119008 1068909341 /nfs/dbraw/zinc/90/93/41/1068909341.db2.gz XLKXGEWWQNEUOR-WBVHZDCISA-N 1 1 456.637 4.238 20 0 JIADMO C[C@@H]1C[C@H](N(C)C(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC[N@H+]1C ZINC001354119006 1068909373 /nfs/dbraw/zinc/90/93/73/1068909373.db2.gz XLKXGEWWQNEUOR-NVXWUHKLSA-N 1 1 456.637 4.238 20 0 JIADMO Cc1nn(-c2ccc(C(=O)N[C@H](C)C[NH+]3CCN(c4ccccc4)CC3)cc2)c(C)c1Cl ZINC001354139436 1068927567 /nfs/dbraw/zinc/92/75/67/1068927567.db2.gz FIEGZVXDBILHRH-GOSISDBHSA-N 1 1 452.002 4.083 20 0 JIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001354146544 1068929902 /nfs/dbraw/zinc/92/99/02/1068929902.db2.gz BVDQNQIJCSVRLD-GGAORHGYSA-N 1 1 454.014 4.059 20 0 JIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC001354146543 1068930012 /nfs/dbraw/zinc/93/00/12/1068930012.db2.gz BVDQNQIJCSVRLD-FYYLOGMGSA-N 1 1 454.014 4.059 20 0 JIADMO Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1NC(=O)OC(C)(C)C ZINC001354156335 1068936094 /nfs/dbraw/zinc/93/60/94/1068936094.db2.gz JHSHVMSCVPZCMC-CVDCTZTESA-N 1 1 453.583 4.361 20 0 JIADMO Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1NC(=O)OC(C)(C)C ZINC001354156335 1068936105 /nfs/dbraw/zinc/93/61/05/1068936105.db2.gz JHSHVMSCVPZCMC-CVDCTZTESA-N 1 1 453.583 4.361 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)Cc2ccc(Br)o2)n1CC[N@H+]1CCC[C@H]1C ZINC001300535498 1068954729 /nfs/dbraw/zinc/95/47/29/1068954729.db2.gz JSONGGCQYNXTES-QGZVFWFLSA-N 1 1 488.430 4.354 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492569387 1068971910 /nfs/dbraw/zinc/97/19/10/1068971910.db2.gz VEZXOSLEARNVRO-ZDXQCDESSA-N 1 1 480.701 4.315 20 0 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JIADMO CSc1cccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2cc(F)ccc2F)c1 ZINC000849555192 1069199780 /nfs/dbraw/zinc/19/97/80/1069199780.db2.gz QAJPDZFKJJLVFM-SFLYRZDNSA-N 1 1 470.589 4.361 20 0 JIADMO CN(C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000849556205 1069201224 /nfs/dbraw/zinc/20/12/24/1069201224.db2.gz AZKJAIMCOOTSHZ-KMDXXIMOSA-N 1 1 454.977 4.496 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N(CCSc2ccc(F)cc2)c2ccccc2)cn1 ZINC000849557030 1069204412 /nfs/dbraw/zinc/20/44/12/1069204412.db2.gz YDJNVLABNNVXNW-RPWUZVMVSA-N 1 1 452.599 4.420 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849557515 1069205794 /nfs/dbraw/zinc/20/57/94/1069205794.db2.gz IEVHHKVYUXGHJR-ZEQRLZLVSA-N 1 1 451.615 4.392 20 0 JIADMO COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849560957 1069209898 /nfs/dbraw/zinc/20/98/98/1069209898.db2.gz CLABSGLRVNVNHK-DNQXCXABSA-N 1 1 490.604 4.238 20 0 JIADMO CC[C@H](Cc1ccccc1Br)NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849560671 1069210637 /nfs/dbraw/zinc/21/06/37/1069210637.db2.gz DKADEKVCYKJMCU-QHAWAJNXSA-N 1 1 461.448 4.134 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849564331 1069214363 /nfs/dbraw/zinc/21/43/63/1069214363.db2.gz USXTUBIPLQTGQZ-ZEQRLZLVSA-N 1 1 489.705 4.310 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849565949 1069216509 /nfs/dbraw/zinc/21/65/09/1069216509.db2.gz XOOWPSUBCVRJLC-NHCUHLMSSA-N 1 1 499.413 4.218 20 0 JIADMO Cc1sc([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)nc1-c1ccc(Cl)cc1 ZINC000849565666 1069217317 /nfs/dbraw/zinc/21/73/17/1069217317.db2.gz ZJARUQUZZNOLTP-PNHOKKKMSA-N 1 1 458.031 4.418 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)[C@H](c2cnn(C)c2)C1 ZINC000849567372 1069217917 /nfs/dbraw/zinc/21/79/17/1069217917.db2.gz GTNIICMPHAVXCF-HJNYFJLDSA-N 1 1 459.034 4.205 20 0 JIADMO COc1cccc(Cn2ccc3ccc(NC(=O)[C@H]4CC[N@@H+](C)C[C@H]4c4cnn(C)c4)cc32)c1 ZINC000849566870 1069218389 /nfs/dbraw/zinc/21/83/89/1069218389.db2.gz FBTOEQCAERLATG-DQEYMECFSA-N 1 1 457.578 4.106 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849568952 1069220482 /nfs/dbraw/zinc/22/04/82/1069220482.db2.gz QRCHQZAFVVJQSR-WUFINQPMSA-N 1 1 483.660 4.148 20 0 JIADMO CCn1c2ccc(Br)cc2nc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849571043 1069222713 /nfs/dbraw/zinc/22/27/13/1069222713.db2.gz GJQVBEXYQGDBRQ-QZTJIDSGSA-N 1 1 473.419 4.005 20 0 JIADMO COCCOc1c(Cl)cc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1Cl ZINC000849573276 1069223917 /nfs/dbraw/zinc/22/39/17/1069223917.db2.gz RIDORZPBANFKOU-ROUUACIJSA-N 1 1 469.413 4.205 20 0 JIADMO CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849572698 1069224521 /nfs/dbraw/zinc/22/45/21/1069224521.db2.gz PDYMNUALYWCWGO-DHIUTWEWSA-N 1 1 462.642 4.010 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc(Br)s2)[C@H](c2cnn(C)c2)C1 ZINC000849574941 1069227901 /nfs/dbraw/zinc/22/79/01/1069227901.db2.gz YLULSZGIJSOPAE-OKZBNKHCSA-N 1 1 465.461 4.422 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)[C@H](c2cnn(C)c2)C1 ZINC000849576121 1069229284 /nfs/dbraw/zinc/22/92/84/1069229284.db2.gz GVBOFPMNEKKXFY-GJZGRUSLSA-N 1 1 462.982 4.184 20 0 JIADMO 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 1069230424 /nfs/dbraw/zinc/23/04/24/1069230424.db2.gz YFNPUELZSQXPJN-ZNDGRNAPSA-N 1 1 490.067 4.367 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849584521 1069234656 /nfs/dbraw/zinc/23/46/56/1069234656.db2.gz XOXBDYDMMPOTHJ-WDYCEAGBSA-N 1 1 451.398 4.181 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)cn1 ZINC000849586215 1069236319 /nfs/dbraw/zinc/23/63/19/1069236319.db2.gz OJADRBQFDFAVGL-RTWAWAEBSA-N 1 1 462.985 4.146 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(c3cccc(Br)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849586150 1069236466 /nfs/dbraw/zinc/23/64/66/1069236466.db2.gz GIYCEDOVTRBFGR-PKTZIBPZSA-N 1 1 473.459 4.403 20 0 JIADMO 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 1069240226 /nfs/dbraw/zinc/24/02/26/1069240226.db2.gz UJUXIEGBCWTCLI-HZPDHXFCSA-N 1 1 460.447 4.493 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC(C)(C)N(C)c3cc(Br)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849587594 1069240635 /nfs/dbraw/zinc/24/06/35/1069240635.db2.gz UZWGQRMPNTYWBU-PMACEKPBSA-N 1 1 488.474 4.258 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849590390 1069240975 /nfs/dbraw/zinc/24/09/75/1069240975.db2.gz YHYKDWHGTSVXOH-WOJBJXKFSA-N 1 1 488.474 4.258 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(Nc3cccc(Br)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849590248 1069241869 /nfs/dbraw/zinc/24/18/69/1069241869.db2.gz XYGDPHJDFDPCSC-GOTSBHOMSA-N 1 1 488.474 4.100 20 0 JIADMO COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849589754 1069242063 /nfs/dbraw/zinc/24/20/63/1069242063.db2.gz ZHWJHIIFKPUVDZ-NHCUHLMSSA-N 1 1 472.593 4.425 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc3c(cccc3Br)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849590998 1069242926 /nfs/dbraw/zinc/24/29/26/1069242926.db2.gz BGOATUOARPKYQE-HUUCEWRRSA-N 1 1 462.417 4.245 20 0 JIADMO COc1ccccc1O[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300620733 1069243317 /nfs/dbraw/zinc/24/33/17/1069243317.db2.gz NYFVOZVBVRTNHN-NRFANRHFSA-N 1 1 478.641 4.051 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849592227 1069243886 /nfs/dbraw/zinc/24/38/86/1069243886.db2.gz NVCUPKGLWVHHER-HJOGWXRNSA-N 1 1 459.034 4.172 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2c(-c3ccc(Br)cc3)ncn2C)[C@@H](c2cnn(C)c2)C1 ZINC000849594157 1069246065 /nfs/dbraw/zinc/24/60/65/1069246065.db2.gz CWTIEFQXNAYINT-VQTJNVASSA-N 1 1 485.430 4.036 20 0 JIADMO 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 1069251114 /nfs/dbraw/zinc/25/11/14/1069251114.db2.gz JTQUSZFEDIPBJZ-KEIZBESESA-N 1 1 478.559 4.241 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849597999 1069253881 /nfs/dbraw/zinc/25/38/81/1069253881.db2.gz WOAYAYWXJFNWAT-WTIAFYNJSA-N 1 1 473.459 4.088 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC2(c3ccccc3Br)CCCCC2)cn1 ZINC000849599236 1069255356 /nfs/dbraw/zinc/25/53/56/1069255356.db2.gz MBXVGTZYAVSTFG-VQTJNVASSA-N 1 1 473.459 4.236 20 0 JIADMO 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 1069257043 /nfs/dbraw/zinc/25/70/43/1069257043.db2.gz BLGUGKFMCKKVBD-TUACAJSNSA-N 1 1 467.658 4.117 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849601450 1069257064 /nfs/dbraw/zinc/25/70/64/1069257064.db2.gz VQOGRQINIDPFHF-XZOQPEGZSA-N 1 1 461.025 4.461 20 0 JIADMO 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 1069257659 /nfs/dbraw/zinc/25/76/59/1069257659.db2.gz UKRXSHXEYXBTEN-VSKRKVRLSA-N 1 1 466.548 4.147 20 0 JIADMO 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 1069258478 /nfs/dbraw/zinc/25/84/78/1069258478.db2.gz XLJDLZJXQWCIHN-XZOQPEGZSA-N 1 1 469.630 4.206 20 0 JIADMO 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 ZINC000849608055 1069264889 /nfs/dbraw/zinc/26/48/89/1069264889.db2.gz MZKBQKIFPDFNLO-HJOGWXRNSA-N 1 1 495.668 4.107 20 0 JIADMO COc1cccc(Sc2ccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)nc2)c1 ZINC000849608010 1069264916 /nfs/dbraw/zinc/26/49/16/1069264916.db2.gz MDCYTBHWNFTISC-DHIUTWEWSA-N 1 1 465.623 4.428 20 0 JIADMO COc1ccccc1OCc1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001300628060 1069266819 /nfs/dbraw/zinc/26/68/19/1069266819.db2.gz PXBRSHVJAPMWKH-ZLNRFVROSA-N 1 1 485.673 4.237 20 0 JIADMO Cc1ccc(Sc2nsc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)cc1 ZINC000849612466 1069271965 /nfs/dbraw/zinc/27/19/65/1069271965.db2.gz LJIMEDHEWJVARU-MOPGFXCFSA-N 1 1 456.641 4.184 20 0 JIADMO Fc1ccc(NC(=S)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2ccccn2)cc1F ZINC001200685763 1069285830 /nfs/dbraw/zinc/28/58/30/1069285830.db2.gz FZDRWYZEMNJQKD-UQBPGWFLSA-N 1 1 472.605 4.307 20 0 JIADMO Cc1ccccc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001492591706 1069306728 /nfs/dbraw/zinc/30/67/28/1069306728.db2.gz LWMHSTFPYQARPC-WNCULLNHSA-N 1 1 469.674 4.384 20 0 JIADMO CCOC(=O)[C@]12CCO[C@@H]1CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164434658 718979147 /nfs/dbraw/zinc/97/91/47/718979147.db2.gz UQCRQXPWYGIWIX-IBVKSMDESA-N 1 1 484.666 4.105 20 0 JIADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629659 719072825 /nfs/dbraw/zinc/07/28/25/719072825.db2.gz YPQFMJKVAZPZST-QUCCMNQESA-N 1 1 476.955 4.343 20 0 JIADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CC[C@H](C)C6)C[C@H]3O2)n1 ZINC001164647247 719300599 /nfs/dbraw/zinc/30/05/99/719300599.db2.gz DDLUKLVUQDNMPV-LWCVALJOSA-N 1 1 494.665 4.460 20 0 JIADMO COc1ccccc1Oc1nc(Cl)ncc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164654187 719317459 /nfs/dbraw/zinc/31/74/59/719317459.db2.gz QDPXTWNXOKHOGB-UHFFFAOYSA-N 1 1 456.978 4.333 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)nc1 ZINC001164655768 719322304 /nfs/dbraw/zinc/32/23/04/719322304.db2.gz XWSNYJWAUQMELY-IGKIAQTJSA-N 1 1 479.600 4.199 20 0 JIADMO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164660694 719354716 /nfs/dbraw/zinc/35/47/16/719354716.db2.gz XKPUGEBCRVGJCH-UHFFFAOYSA-N 1 1 456.638 4.371 20 0 JIADMO Fc1ccc(CN2CCOCC23CCN(c2ncnc4c2CC[N@H+](Cc2ccccc2)C4)CC3)cc1 ZINC001164670968 719504796 /nfs/dbraw/zinc/50/47/96/719504796.db2.gz AMDHAERTUUNYLG-UHFFFAOYSA-N 1 1 487.623 4.045 20 0 JIADMO Fc1ccc(CN2CCOCC23CCN(c2ncnc4c2CC[N@@H+](Cc2ccccc2)C4)CC3)cc1 ZINC001164670968 719504797 /nfs/dbraw/zinc/50/47/97/719504797.db2.gz AMDHAERTUUNYLG-UHFFFAOYSA-N 1 1 487.623 4.045 20 0 JIADMO CC(C)(C)OC(=O)Nc1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c2[nH]cnc21 ZINC001164674101 719520908 /nfs/dbraw/zinc/52/09/08/719520908.db2.gz ZVFFOOFZQAGNLM-UHFFFAOYSA-N 1 1 496.587 4.315 20 0 JIADMO CC(C)(C)OC(=O)Nc1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c2[nH]cnc21 ZINC001164674101 719520914 /nfs/dbraw/zinc/52/09/14/719520914.db2.gz ZVFFOOFZQAGNLM-UHFFFAOYSA-N 1 1 496.587 4.315 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)n1 ZINC001164679050 719545275 /nfs/dbraw/zinc/54/52/75/719545275.db2.gz QTCWRTDQQCMPCO-HJNYFJLDSA-N 1 1 491.661 4.026 20 0 JIADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)CC2 ZINC001164689564 719748683 /nfs/dbraw/zinc/74/86/83/719748683.db2.gz IACIOZWXOMWMGZ-UHFFFAOYSA-N 1 1 466.935 4.267 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)n1 ZINC001164690945 719775262 /nfs/dbraw/zinc/77/52/62/719775262.db2.gz JCGDSWQNUOXVIW-FCHUYYIVSA-N 1 1 484.629 4.195 20 0 JIADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692717 719808099 /nfs/dbraw/zinc/80/80/99/719808099.db2.gz LXWRFLCXMHAUFY-UHFFFAOYSA-N 1 1 470.973 4.466 20 0 JIADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164692717 719808102 /nfs/dbraw/zinc/80/81/02/719808102.db2.gz LXWRFLCXMHAUFY-UHFFFAOYSA-N 1 1 470.973 4.466 20 0 JIADMO CCOC(=O)c1cc2cccnc2nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164693667 719808495 /nfs/dbraw/zinc/80/84/95/719808495.db2.gz QVOJAOQMXNQPPK-UHFFFAOYSA-N 1 1 451.596 4.206 20 0 JIADMO COC[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)Cc2cn(C)nc21 ZINC001164696397 719832308 /nfs/dbraw/zinc/83/23/08/719832308.db2.gz SVTOTRFCULDTSY-SFHVURJKSA-N 1 1 466.655 4.040 20 0 JIADMO COC(=O)c1ccc2nc(Cl)c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc2c1 ZINC001164695673 719887476 /nfs/dbraw/zinc/88/74/76/719887476.db2.gz QIQARUXKQRHVDK-UHFFFAOYSA-N 1 1 472.998 4.003 20 0 JIADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695352 719891622 /nfs/dbraw/zinc/89/16/22/719891622.db2.gz PEZQDATUNICYOQ-UHFFFAOYSA-N 1 1 487.025 4.393 20 0 JIADMO CCOC(=O)c1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc2ccccc21 ZINC001164695056 719892026 /nfs/dbraw/zinc/89/20/26/719892026.db2.gz JSVTYEIOWDUPNC-UHFFFAOYSA-N 1 1 451.592 4.344 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccnc(Cl)c1F)CC2 ZINC001164712158 720096412 /nfs/dbraw/zinc/09/64/12/720096412.db2.gz WBJCYEKWRMWZGH-KRWDZBQOSA-N 1 1 454.924 4.322 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)CC2 ZINC001164710045 720104412 /nfs/dbraw/zinc/10/44/12/720104412.db2.gz GEERUNSCNMZKLX-QHCPKHFHSA-N 1 1 498.071 4.264 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C(=O)Nc3ccc(Cl)nc3)ccc1F)C2 ZINC001164812630 720116232 /nfs/dbraw/zinc/11/62/32/720116232.db2.gz PJEXWCCTTDMBGA-DFBJGRDBSA-N 1 1 472.992 4.311 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)-c1ccccc1CC3)CC2 ZINC001164713027 720134918 /nfs/dbraw/zinc/13/49/18/720134918.db2.gz PBIPOUKMWHUUOM-DEOSSOPVSA-N 1 1 455.606 4.145 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001164712273 720139725 /nfs/dbraw/zinc/13/97/25/720139725.db2.gz MHFNPWLQBDHFKI-QFIPXVFZSA-N 1 1 467.614 4.331 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)CC2 ZINC001164712240 720145088 /nfs/dbraw/zinc/14/50/88/720145088.db2.gz LQWWVRALCGPAQE-HSZRJFAPSA-N 1 1 498.071 4.264 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(-c3ccccc3OC)n1)CC2 ZINC001164712159 720145720 /nfs/dbraw/zinc/14/57/20/720145720.db2.gz KPEKVOVEXURHOW-JOCHJYFZSA-N 1 1 459.594 4.055 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C(F)F)nc3ccccc31)CC2 ZINC001164713048 720146641 /nfs/dbraw/zinc/14/66/41/720146641.db2.gz PNEQNHKOEFKWOA-LJQANCHMSA-N 1 1 453.537 4.470 20 0 JIADMO CCOc1ccc(-c2ccc(N3CCC4(C[C@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)nn2)cc1 ZINC001164710545 720148874 /nfs/dbraw/zinc/14/88/74/720148874.db2.gz CEYAVDQUXVGEAK-XMMPIXPASA-N 1 1 473.621 4.445 20 0 JIADMO Cc1ccc(-c2nnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c3ccccc32)cc1 ZINC001164812869 720235159 /nfs/dbraw/zinc/23/51/59/720235159.db2.gz JLMUSGHXBFKYQH-UHFFFAOYSA-N 1 1 468.605 4.412 20 0 JIADMO Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)cs1 ZINC001164816408 720257837 /nfs/dbraw/zinc/25/78/37/720257837.db2.gz IVSIUYNLOYZZRT-VQTJNVASSA-N 1 1 496.706 4.439 20 0 JIADMO Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)O2)n1 ZINC001164831058 720409078 /nfs/dbraw/zinc/40/90/78/720409078.db2.gz ULTKBCCZSGBZNL-BZSNNMDCSA-N 1 1 454.600 4.094 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)nc1 ZINC001164725719 720496969 /nfs/dbraw/zinc/49/69/69/720496969.db2.gz JWQVEDKHJVZWKQ-RMXYQJDTSA-N 1 1 468.617 4.492 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1Cl ZINC001164841319 720522065 /nfs/dbraw/zinc/52/20/65/720522065.db2.gz YHHRERDSIAWJJX-SOLBZPMBSA-N 1 1 466.413 4.139 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)C4)CC[C@@H]21 ZINC001164834638 720524217 /nfs/dbraw/zinc/52/42/17/720524217.db2.gz GVTOZZIWEKMUHG-HWBMXIPRSA-N 1 1 492.071 4.220 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nc(Cc4ccccc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842025 720531972 /nfs/dbraw/zinc/53/19/72/720531972.db2.gz WEHZURIXKKLNAS-FDFHNCONSA-N 1 1 451.018 4.295 20 0 JIADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164835588 720592258 /nfs/dbraw/zinc/59/22/58/720592258.db2.gz BNJLTKFZCBTOKL-NNMXDRDESA-N 1 1 483.016 4.034 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841316 720599207 /nfs/dbraw/zinc/59/92/07/720599207.db2.gz RVEFYQVHVLBKIL-HSALFYBXSA-N 1 1 487.986 4.311 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838719 720609308 /nfs/dbraw/zinc/60/93/08/720609308.db2.gz KZXHXFRLAOJNNE-ABSDTBQOSA-N 1 1 450.965 4.127 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4ccncc4)nc4sccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838312 720631872 /nfs/dbraw/zinc/63/18/72/720631872.db2.gz KSIXHYILCADDMI-RZUBCFFCSA-N 1 1 459.623 4.328 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4ccncc4)nc4sccc43)CC[C@@H]21 ZINC001164838314 720632458 /nfs/dbraw/zinc/63/24/58/720632458.db2.gz KSIXHYILCADDMI-URVUXULASA-N 1 1 459.623 4.328 20 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c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCO[C@@]4(CCC[C@@H]4COCc4ccncc4)C3)C2)cc1 ZINC001164781400 721384439 /nfs/dbraw/zinc/38/44/39/721384439.db2.gz JOODKEHVBAESGO-IRPSRAIASA-N 1 1 485.632 4.022 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5scc(-c6cccs6)c54)C3)O2)CC1 ZINC001164894585 721396430 /nfs/dbraw/zinc/39/64/30/721396430.db2.gz ZEPQCJJEGMNQRT-HOYKHHGWSA-N 1 1 469.680 4.185 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164889819 721422079 /nfs/dbraw/zinc/42/20/79/721422079.db2.gz RNJPMEYIGIHADI-RDPSFJRHSA-N 1 1 492.014 4.107 20 0 JIADMO c1csc(C[NH+]2C[C@@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)n1 ZINC001164783597 721427516 /nfs/dbraw/zinc/42/75/16/721427516.db2.gz JBVIPDLRCQNQHS-QZTJIDSGSA-N 1 1 480.707 4.191 20 0 JIADMO Cc1ccc(-c2nnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c3ccccc32)cc1 ZINC001164894264 721432617 /nfs/dbraw/zinc/43/26/17/721432617.db2.gz LHBKLHHQSSBNGE-GIGWZHCTSA-N 1 1 471.649 4.371 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(-c5ccccc5)nnc4Cl)C3)O2)CC1 ZINC001164897612 721436610 /nfs/dbraw/zinc/43/66/10/721436610.db2.gz UIUYLUHWAKRTLL-RDPSFJRHSA-N 1 1 492.014 4.107 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5cccc(Cl)c5)nc5c4CCCC5)C3)O2)CC1 ZINC001164893800 721442959 /nfs/dbraw/zinc/44/29/59/721442959.db2.gz KMESDQMRYXDBMX-QDPGVEIFSA-N 1 1 496.099 4.441 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4Cl)C3)O2)CC1 ZINC001164885413 721448690 /nfs/dbraw/zinc/44/86/90/721448690.db2.gz DPJLJNHLKOLPQN-UUOWRZLLSA-N 1 1 492.451 4.341 20 0 JIADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164889679 721450256 /nfs/dbraw/zinc/45/02/56/721450256.db2.gz PEBBKQORWPRPAL-QFQXNSOFSA-N 1 1 486.060 4.250 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164786011 721454925 /nfs/dbraw/zinc/45/49/25/721454925.db2.gz LZKPVUYNDBNNTF-INIZCTEOSA-N 1 1 479.399 4.062 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001164788618 721461493 /nfs/dbraw/zinc/46/14/93/721461493.db2.gz UTHGNKZXRCUPNM-QHCPKHFHSA-N 1 1 477.093 4.065 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(Oc3cccc(F)c3)n1)CC2 ZINC001164784786 721463585 /nfs/dbraw/zinc/46/35/85/721463585.db2.gz KFSUAIYOKICLAV-JOCHJYFZSA-N 1 1 470.589 4.142 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)CC2 ZINC001164782472 721464365 /nfs/dbraw/zinc/46/43/65/721464365.db2.gz APMRNVGONULPAM-QFIPXVFZSA-N 1 1 483.657 4.163 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164791804 721465219 /nfs/dbraw/zinc/46/52/19/721465219.db2.gz ZMKYBYJXFZPDSC-QGZVFWFLSA-N 1 1 480.440 4.066 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1OCc1ccccc1)CC2 ZINC001164790604 721466777 /nfs/dbraw/zinc/46/67/77/721466777.db2.gz SATORXJVHBAXTN-RUZDIDTESA-N 1 1 465.638 4.395 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3oc(-c4ccc(C)cc4)nc31)CC2 ZINC001164791704 721468190 /nfs/dbraw/zinc/46/81/90/721468190.db2.gz XTXVYZIVHHQSCW-HSZRJFAPSA-N 1 1 491.636 4.327 20 0 JIADMO CCOC[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)Cc2cnn(C)c21 ZINC001164791514 721477733 /nfs/dbraw/zinc/47/77/33/721477733.db2.gz JJUSYABPBDHHBN-MJGOQNOKSA-N 1 1 480.682 4.286 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3COC[C@@]3(COc3ncccc3F)C2)n1 ZINC001164793951 721487613 /nfs/dbraw/zinc/48/76/13/721487613.db2.gz YRMYEWHFSDVJOA-AVRWGWEMSA-N 1 1 485.629 4.216 20 0 JIADMO COC(=O)c1cc(C(F)(F)N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cnc1Cl ZINC001164791968 721493549 /nfs/dbraw/zinc/49/35/49/721493549.db2.gz HNAFMCKHJWIYLG-UHFFFAOYSA-N 1 1 464.944 4.343 20 0 JIADMO Fc1cccc(Cn2ccc3c2ncnc3N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164907743 721538396 /nfs/dbraw/zinc/53/83/96/721538396.db2.gz OGUWFGPJWMBRLE-GGAORHGYSA-N 1 1 461.516 4.100 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cccc(F)c3n2)[C@H]2CCCO[C@@H]12 ZINC001164799195 721539416 /nfs/dbraw/zinc/53/94/16/721539416.db2.gz BCMGCIBCJYZCAO-NLWGTHIKSA-N 1 1 477.918 4.230 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cccc(F)c3n2)[C@H]2CCCO[C@@H]12 ZINC001164799195 721539420 /nfs/dbraw/zinc/53/94/20/721539420.db2.gz BCMGCIBCJYZCAO-NLWGTHIKSA-N 1 1 477.918 4.230 20 0 JIADMO O=C(c1ccccc1)n1ccc2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc21 ZINC001164912458 721550339 /nfs/dbraw/zinc/55/03/39/721550339.db2.gz ZWJODDUNINSHQR-LADGPHEKSA-N 1 1 456.521 4.206 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164801424 721551183 /nfs/dbraw/zinc/55/11/83/721551183.db2.gz FHFBMIKHFADICA-TWJOJJKGSA-N 1 1 478.600 4.469 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164801424 721551186 /nfs/dbraw/zinc/55/11/86/721551186.db2.gz FHFBMIKHFADICA-TWJOJJKGSA-N 1 1 478.600 4.469 20 0 JIADMO COc1ccc(Oc2cc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc(C)n2)cc1 ZINC001164904660 721563525 /nfs/dbraw/zinc/56/35/25/721563525.db2.gz FCOQSOIGHOUMKM-CVDCTZTESA-N 1 1 450.514 4.067 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3cnc(Cl)nc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164798656 721563662 /nfs/dbraw/zinc/56/36/62/721563662.db2.gz BVVHPUZYGLRLOK-NJDAHSKKSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3cnc(Cl)nc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164798656 721563664 /nfs/dbraw/zinc/56/36/64/721563664.db2.gz BVVHPUZYGLRLOK-NJDAHSKKSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164800943 721575551 /nfs/dbraw/zinc/57/55/51/721575551.db2.gz FXOWEIBMOOJTMY-NNMXDRDESA-N 1 1 486.954 4.000 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164800943 721575554 /nfs/dbraw/zinc/57/55/54/721575554.db2.gz FXOWEIBMOOJTMY-NNMXDRDESA-N 1 1 486.954 4.000 20 0 JIADMO Cc1sc2nc(CN3CCCC3)nc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1C ZINC001164806266 721577705 /nfs/dbraw/zinc/57/77/05/721577705.db2.gz MQVRPUHEKHZEKL-WRALFONMSA-N 1 1 492.693 4.167 20 0 JIADMO Cc1sc2nc(CN3CCCC3)nc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2c1C ZINC001164806266 721577707 /nfs/dbraw/zinc/57/77/07/721577707.db2.gz MQVRPUHEKHZEKL-WRALFONMSA-N 1 1 492.693 4.167 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3ccco3)nnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164801867 721580270 /nfs/dbraw/zinc/58/02/70/721580270.db2.gz FZKYJDTUUGWPQM-ZVDOUQERSA-N 1 1 475.927 4.198 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(-c3ccco3)nnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164801867 721580272 /nfs/dbraw/zinc/58/02/72/721580272.db2.gz FZKYJDTUUGWPQM-ZVDOUQERSA-N 1 1 475.927 4.198 20 0 JIADMO CCOC(=O)c1sc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1C ZINC001164906094 721583875 /nfs/dbraw/zinc/58/38/75/721583875.db2.gz YYGWPKGGHDBTTP-HSZRJFAPSA-N 1 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JIADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904962 721712567 /nfs/dbraw/zinc/71/25/67/721712567.db2.gz FWNMLEBGMBBYMJ-VWLOTQADSA-N 1 1 493.537 4.146 20 0 JIADMO COC(=O)c1cc2ccccc2nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906183 721714548 /nfs/dbraw/zinc/71/45/48/721714548.db2.gz KQBZKYIOZQAKRZ-XMMPIXPASA-N 1 1 452.505 4.154 20 0 JIADMO FC(F)(c1c2c(nnc1Cl)CCC2)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913427 721725575 /nfs/dbraw/zinc/72/55/75/721725575.db2.gz VRGJJJAJEJHRKH-FQEVSTJZSA-N 1 1 469.914 4.296 20 0 JIADMO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913372 721729369 /nfs/dbraw/zinc/72/93/69/721729369.db2.gz URMUFTDRYIXSJL-LJQANCHMSA-N 1 1 468.886 4.289 20 0 JIADMO C[N@@H+](Cc1ccc(N2C[C@@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)nc1)C1CC1 ZINC001164912117 721742557 /nfs/dbraw/zinc/74/25/57/721742557.db2.gz LUDRHGTTWNFEFE-LSYYVWMOSA-N 1 1 453.590 4.098 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)C2 ZINC001164909476 721762513 /nfs/dbraw/zinc/76/25/13/721762513.db2.gz BCUGFEDYYOQSSE-JOCHJYFZSA-N 1 1 481.906 4.118 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)C2 ZINC001164909476 721762519 /nfs/dbraw/zinc/76/25/19/721762519.db2.gz BCUGFEDYYOQSSE-JOCHJYFZSA-N 1 1 481.906 4.118 20 0 JIADMO c1nc2c(c(C3CC3)n1)CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164915784 721804111 /nfs/dbraw/zinc/80/41/11/721804111.db2.gz LBEJQZFJBBWILO-UHFFFAOYSA-N 1 1 460.651 4.439 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@]4(C[C@H](Oc5cccnc5)CO4)C3)c2c1C ZINC001164914579 721806896 /nfs/dbraw/zinc/80/68/96/721806896.db2.gz DHTKKZJOIVQBPO-CPJSRVTESA-N 1 1 465.623 4.116 20 0 JIADMO COc1cc2nc(Cl)nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1OC ZINC001165026681 721807950 /nfs/dbraw/zinc/80/79/50/721807950.db2.gz RZCLBDYLXYBFTJ-LRQRDZAKSA-N 1 1 468.001 4.432 20 0 JIADMO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020801 721812644 /nfs/dbraw/zinc/81/26/44/721812644.db2.gz DCJSKYHBONVAMM-XJABCFGWSA-N 1 1 465.985 4.202 20 0 JIADMO CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027800 721815502 /nfs/dbraw/zinc/81/55/02/721815502.db2.gz VYBNQVFJEYQZKO-VLCRHTCISA-N 1 1 456.034 4.349 20 0 JIADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165019748 721815895 /nfs/dbraw/zinc/81/58/95/721815895.db2.gz BPLJCLNFQBMHRG-SNRMKQJTSA-N 1 1 464.944 4.198 20 0 JIADMO COc1ccc(Cn2cc3[nH]c(N4C[C@@H]5CCC[C@H]([N@@H+](C)Cc6ccccn6)[C@H]5C4)ccc-3c2=O)cc1 ZINC001165025780 721822155 /nfs/dbraw/zinc/82/21/55/721822155.db2.gz NYYULBBSWZLJRN-MCOVPRHSSA-N 1 1 497.643 4.378 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc5c(c4)OCCO5)nn3)C[C@H]21 ZINC001165030503 721824379 /nfs/dbraw/zinc/82/43/79/721824379.db2.gz ZLRHELIIXHGITJ-KIFXHHALSA-N 1 1 457.578 4.047 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc(N5CCOCC5)cc4)nn3)C[C@@H]21 ZINC001165029549 721828412 /nfs/dbraw/zinc/82/84/12/721828412.db2.gz XDDLBCPHJVNABT-RXWNPYQGSA-N 1 1 484.648 4.112 20 0 JIADMO CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cnc1Cl ZINC001165026749 721832225 /nfs/dbraw/zinc/83/22/25/721832225.db2.gz PZAXOZNFQFCDEN-PWIZWCRZSA-N 1 1 499.027 4.205 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4COC[C@]4(COCc4ccccn4)C3)c2c1C ZINC001164924381 721839806 /nfs/dbraw/zinc/83/98/06/721839806.db2.gz MHHCUJGIPXHVKU-IDISGSTGSA-N 1 1 493.677 4.359 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2ncc(F)cn2)C3)nc1 ZINC001164922814 721846557 /nfs/dbraw/zinc/84/65/57/721846557.db2.gz RJWRMJROHYJGOE-BVAGGSTKSA-N 1 1 468.621 4.071 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@@H](CC(=O)NC5CCC5)OC[C@@H]4C3)c2c1C ZINC001164933364 721897139 /nfs/dbraw/zinc/89/71/39/721897139.db2.gz LEHQLPYLUJYITH-KSEOMHKRSA-N 1 1 497.709 4.194 20 0 JIADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[C@@]4(C3)COCc3cnc(-c5ccccc5)nc34)C2)cc1 ZINC001164929968 721898569 /nfs/dbraw/zinc/89/85/69/721898569.db2.gz YAKIXGRXUDXRIE-SSEXGKCCSA-N 1 1 490.611 4.170 20 0 JIADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[C@@]4(C3)COCc3cnc(-c5ccccc5)nc34)C2)cc1 ZINC001164929968 721898571 /nfs/dbraw/zinc/89/85/71/721898571.db2.gz YAKIXGRXUDXRIE-SSEXGKCCSA-N 1 1 490.611 4.170 20 0 JIADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@@H](Cc3ccccc3)C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165037180 721899940 /nfs/dbraw/zinc/89/99/40/721899940.db2.gz KUCABRYEPSPFBR-GOTSBHOMSA-N 1 1 464.654 4.340 20 0 JIADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164938678 721927147 /nfs/dbraw/zinc/92/71/47/721927147.db2.gz DMRXXUBEBCRCLK-UHFFFAOYSA-N 1 1 479.955 4.246 20 0 JIADMO COC(=O)c1nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c2ccccc2c1OC ZINC001164940712 721932704 /nfs/dbraw/zinc/93/27/04/721932704.db2.gz YEKMWTIUEJOBNF-UHFFFAOYSA-N 1 1 475.589 4.210 20 0 JIADMO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001165044658 721940099 /nfs/dbraw/zinc/94/00/99/721940099.db2.gz QTWLIKCQPHJYIN-UHFFFAOYSA-N 1 1 450.280 4.031 20 0 JIADMO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952174 722016350 /nfs/dbraw/zinc/01/63/50/722016350.db2.gz INZKBXXGSRNIKZ-UHFFFAOYSA-N 1 1 491.970 4.129 20 0 JIADMO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164960621 722025127 /nfs/dbraw/zinc/02/51/27/722025127.db2.gz LMZSFAASHOLJNR-UHFFFAOYSA-N 1 1 464.973 4.258 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)n1 ZINC001164960763 722048271 /nfs/dbraw/zinc/04/82/71/722048271.db2.gz WJWLCSSEGRGZRE-QZTJIDSGSA-N 1 1 453.612 4.094 20 0 JIADMO Cc1cccc(Sc2cncc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)c1 ZINC001164963288 722058548 /nfs/dbraw/zinc/05/85/48/722058548.db2.gz VPTLROFQBGFMTM-UHFFFAOYSA-N 1 1 461.635 4.450 20 0 JIADMO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959958 722059492 /nfs/dbraw/zinc/05/94/92/722059492.db2.gz ALEXOVXRPHBBJY-UHFFFAOYSA-N 1 1 466.589 4.206 20 0 JIADMO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960044 722059937 /nfs/dbraw/zinc/05/99/37/722059937.db2.gz FQLJEWUCMRWLGE-UHFFFAOYSA-N 1 1 489.954 4.449 20 0 JIADMO Clc1nnc(Cl)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1N1CCCCC1 ZINC001164964396 722062371 /nfs/dbraw/zinc/06/23/71/722062371.db2.gz GEIBOCWVSDLBFZ-UHFFFAOYSA-N 1 1 491.467 4.288 20 0 JIADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979627 722148192 /nfs/dbraw/zinc/14/81/92/722148192.db2.gz LPTAFFMXRVKMFS-NFBKMPQASA-N 1 1 485.966 4.464 20 0 JIADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC[C@@H]3C2)c1 ZINC001164975165 722150968 /nfs/dbraw/zinc/15/09/68/722150968.db2.gz DZRQMWLRTCKPBI-NAKRPHOHSA-N 1 1 484.648 4.256 20 0 JIADMO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973814 722152847 /nfs/dbraw/zinc/15/28/47/722152847.db2.gz MGIGTCHWXTXMRX-NVXWUHKLSA-N 1 1 476.877 4.421 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)nc1 ZINC001164986770 722186314 /nfs/dbraw/zinc/18/63/14/722186314.db2.gz GLRBIJDHBPHOEJ-WXFUMESZSA-N 1 1 455.672 4.263 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164994149 722196451 /nfs/dbraw/zinc/19/64/51/722196451.db2.gz KUTIEDJMWVLLPL-NRFANRHFSA-N 1 1 453.892 4.451 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164994149 722196453 /nfs/dbraw/zinc/19/64/53/722196453.db2.gz KUTIEDJMWVLLPL-NRFANRHFSA-N 1 1 453.892 4.451 20 0 JIADMO Cc1ccc(S(=O)(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]2CCC[N@H+]2C(C)C)c2ccccc2)cc1 ZINC001354540225 1069317325 /nfs/dbraw/zinc/31/73/25/1069317325.db2.gz VOLYFAQVOBYKMB-QDSKXPNFSA-N 1 1 458.624 4.161 20 0 JIADMO Cc1ccc(S(=O)(=O)N(C)[C@H](C)[C@H](OC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c2ccccc2)cc1 ZINC001354540225 1069317340 /nfs/dbraw/zinc/31/73/40/1069317340.db2.gz VOLYFAQVOBYKMB-QDSKXPNFSA-N 1 1 458.624 4.161 20 0 JIADMO Cc1c(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cnn1-c1ccccn1 ZINC001354545667 1069320510 /nfs/dbraw/zinc/32/05/10/1069320510.db2.gz POEONWAPARBUAW-HXUWFJFHSA-N 1 1 457.500 4.102 20 0 JIADMO Cc1c(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cnn1-c1ccccn1 ZINC001354545665 1069320798 /nfs/dbraw/zinc/32/07/98/1069320798.db2.gz POEONWAPARBUAW-FQEVSTJZSA-N 1 1 457.500 4.102 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCC[C@](C)(OC)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300646803 1069321881 /nfs/dbraw/zinc/32/18/81/1069321881.db2.gz KVGWJIOMOVSIBJ-ZBLYBZFDSA-N 1 1 485.673 4.382 20 0 JIADMO COc1ccccc1OCc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@@H](OC)C(C)(C)C ZINC001300651471 1069335941 /nfs/dbraw/zinc/33/59/41/1069335941.db2.gz BGKNGILGVCQLQZ-GBXCKJPGSA-N 1 1 485.673 4.237 20 0 JIADMO FC(F)(F)Oc1cc(Br)ccc1NC(=S)N1CC[NH+](CCc2ccccn2)CC1 ZINC001200710650 1069351702 /nfs/dbraw/zinc/35/17/02/1069351702.db2.gz FETQGXFTWLEMFH-UHFFFAOYSA-N 1 1 489.361 4.300 20 0 JIADMO COc1ccccc1OCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300662237 1069377392 /nfs/dbraw/zinc/37/73/92/1069377392.db2.gz ZCFLZHRPKLHTQK-UNMCSNQZSA-N 1 1 478.641 4.293 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1cc(C)no1 ZINC001300675266 1069417604 /nfs/dbraw/zinc/41/76/04/1069417604.db2.gz FWSCVQHZAWADRI-UHFFFAOYSA-N 1 1 484.670 4.480 20 0 JIADMO C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359347314 1069419595 /nfs/dbraw/zinc/41/95/95/1069419595.db2.gz IURKWYUVPSQALO-KBDUWVRBSA-N 1 1 464.658 4.174 20 0 JIADMO C/C(=C\c1ccccc1)CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[N@@H+]1CC=CCC1 ZINC001359347284 1069419630 /nfs/dbraw/zinc/41/96/30/1069419630.db2.gz IAXHDYOMMQYTHM-PITZYVMOSA-N 1 1 465.642 4.120 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(C(C)C)n2CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001359350955 1069431920 /nfs/dbraw/zinc/43/19/20/1069431920.db2.gz UBRSUCHZYILBIE-ZJSXRUAMSA-N 1 1 466.674 4.149 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001359352480 1069435672 /nfs/dbraw/zinc/43/56/72/1069435672.db2.gz ZXDZWUTZTGAXLD-UHFFFAOYSA-N 1 1 473.065 4.310 20 0 JIADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccsc3)n2Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC001359361638 1069452467 /nfs/dbraw/zinc/45/24/67/1069452467.db2.gz HSSZOXYVVDDJNR-QHCPKHFHSA-N 1 1 494.709 4.124 20 0 JIADMO 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 1069452766 /nfs/dbraw/zinc/45/27/66/1069452766.db2.gz KOVDJZSKCAGMHT-IMSXRSKXSA-N 1 1 472.722 4.072 20 0 JIADMO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001359363257 1069455688 /nfs/dbraw/zinc/45/56/88/1069455688.db2.gz NZKBANQKKAMKHX-DEOSSOPVSA-N 1 1 496.700 4.043 20 0 JIADMO CC(=O)N1CCC(Cn2c(CC(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC001359365783 1069461731 /nfs/dbraw/zinc/46/17/31/1069461731.db2.gz MCCYVWGXSITAEP-JOCHJYFZSA-N 1 1 472.722 4.216 20 0 JIADMO CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001359375303 1069481361 /nfs/dbraw/zinc/48/13/61/1069481361.db2.gz INOVOGGAYAWPQG-UHFFFAOYSA-N 1 1 473.065 4.312 20 0 JIADMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CSc4ccc(C)cc4)n3CCC(C)C)C[C@H]2C)CC1 ZINC001359380510 1069485575 /nfs/dbraw/zinc/48/55/75/1069485575.db2.gz NGBHRWQQWBDOIC-RCZVLFRGSA-N 1 1 498.741 4.304 20 0 JIADMO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC001359385948 1069493419 /nfs/dbraw/zinc/49/34/19/1069493419.db2.gz PPAIIOGYECBPTB-QZTJIDSGSA-N 1 1 491.055 4.305 20 0 JIADMO CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CC[N@H+](C)C(C)C)CC12CCCCC2 ZINC001359394671 1069499085 /nfs/dbraw/zinc/49/90/85/1069499085.db2.gz BBBQYFMOEXSESO-UHFFFAOYSA-N 1 1 480.701 4.165 20 0 JIADMO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001359397597 1069503896 /nfs/dbraw/zinc/50/38/96/1069503896.db2.gz FRUWOJZLCXPHJV-VWNXMTODSA-N 1 1 498.741 4.304 20 0 JIADMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001359412429 1069531788 /nfs/dbraw/zinc/53/17/88/1069531788.db2.gz WPFYVOWWCFJODH-ZKMFCFPVSA-N 1 1 466.674 4.257 20 0 JIADMO CC(=O)NC1CCN(c2nnc(-c3ccccc3C)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001359427400 1069553557 /nfs/dbraw/zinc/55/35/57/1069553557.db2.gz UGMWBWVUTAYQSQ-UHFFFAOYSA-N 1 1 452.647 4.013 20 0 JIADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001359438086 1069566985 /nfs/dbraw/zinc/56/69/85/1069566985.db2.gz SUBFQAJPJCQJEO-RDGATRHJSA-N 1 1 480.701 4.042 20 0 JIADMO CC(=O)NCC1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001359444392 1069576456 /nfs/dbraw/zinc/57/64/56/1069576456.db2.gz HSKWVZBOJNLKMP-JOCHJYFZSA-N 1 1 496.700 4.126 20 0 JIADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359481330 1069654572 /nfs/dbraw/zinc/65/45/72/1069654572.db2.gz JJLSPBWZLMMEBZ-PMACEKPBSA-N 1 1 498.697 4.016 20 0 JIADMO CC(C)(C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001359503221 1069769791 /nfs/dbraw/zinc/76/97/91/1069769791.db2.gz LJIIMSFTUYPHBC-DEOSSOPVSA-N 1 1 479.591 4.164 20 0 JIADMO CC(C)(C)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001359503984 1069772051 /nfs/dbraw/zinc/77/20/51/1069772051.db2.gz IERNCFIOHXIYFV-XMMPIXPASA-N 1 1 495.590 4.004 20 0 JIADMO CC(C)(C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cc2c(cc1OC(F)F)OCO2 ZINC001359512372 1069794318 /nfs/dbraw/zinc/79/43/18/1069794318.db2.gz ZIQMLMMQHLGARU-UHFFFAOYSA-N 1 1 479.572 4.265 20 0 JIADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001359515116 1069801629 /nfs/dbraw/zinc/80/16/29/1069801629.db2.gz KAKSKUCVKVVSJE-HXUWFJFHSA-N 1 1 481.563 4.018 20 0 JIADMO CC(C)(C)[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001359520094 1069807673 /nfs/dbraw/zinc/80/76/73/1069807673.db2.gz ZBFFJAWBVXQJAE-VQTJNVASSA-N 1 1 461.054 4.103 20 0 JIADMO CC(C)(C)Cc1nnc(N2CC[C@H](OCCCc3ccccc3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001359531588 1069824336 /nfs/dbraw/zinc/82/43/36/1069824336.db2.gz RERFLYUVYDFOPL-DEOSSOPVSA-N 1 1 483.701 4.206 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCSC2)CC1 ZINC001359548486 1069855168 /nfs/dbraw/zinc/85/51/68/1069855168.db2.gz COYSTCDIGIUJFZ-IBGZPJMESA-N 1 1 461.651 4.450 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(Cl)s2)CC1 ZINC001359548741 1069856051 /nfs/dbraw/zinc/85/60/51/1069856051.db2.gz OZSUEFCPRDYZRT-UHFFFAOYSA-N 1 1 493.102 4.343 20 0 JIADMO CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCC[C@H](C(F)F)C3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001359556686 1069872694 /nfs/dbraw/zinc/87/26/94/1069872694.db2.gz UVOGHGYFCJRFME-VQTJNVASSA-N 1 1 494.631 4.136 20 0 JIADMO 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JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3CC3(SC)CCOCC3)CC2)c1 ZINC001315544592 1064546899 /nfs/dbraw/zinc/54/68/99/1064546899.db2.gz FKGURESRYZCLIM-NRFANRHFSA-N 1 1 487.714 4.281 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCCn3cccn3)CC2)c1 ZINC001315544588 1064547012 /nfs/dbraw/zinc/54/70/12/1064547012.db2.gz FBKYJHZVWZPMGU-NRFANRHFSA-N 1 1 465.646 4.045 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCO[C@H](C)C3)CC2)c1 ZINC001315545071 1064548424 /nfs/dbraw/zinc/54/84/24/1064548424.db2.gz KJYHRCHEZAYMMM-QHAWAJNXSA-N 1 1 455.647 4.283 20 0 JIADMO COc1cccc([C@H](C)N2CCN(c3nnc(-c4cccnc4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001315545072 1064548613 /nfs/dbraw/zinc/54/86/13/1064548613.db2.gz KKJQPUNLNURUPE-DHLKQENFSA-N 1 1 491.684 4.208 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[C@H](O)C3)CC2)c1 ZINC001315545137 1064549350 /nfs/dbraw/zinc/54/93/50/1064549350.db2.gz LVPWXQBAVFBNNE-FUDKSRODSA-N 1 1 469.674 4.310 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CSCCS3)CC2)c1 ZINC001315545316 1064550359 /nfs/dbraw/zinc/55/03/59/1064550359.db2.gz NFDHUTAPZUKXFQ-RXVVDRJESA-N 1 1 475.728 4.316 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc([C@@H]4CCOC4)n3CCCC(F)(F)F)CC2)c1 ZINC001315546516 1064553811 /nfs/dbraw/zinc/55/38/11/1064553811.db2.gz WDJKVYGNIODIAH-PKOBYXMFSA-N 1 1 467.536 4.016 20 0 JIADMO COc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCC[N@H+]2CCCC[C@H]2C)c1 ZINC001315552179 1064568951 /nfs/dbraw/zinc/56/89/51/1064568951.db2.gz OYVQCEKDMBBOPP-GOSISDBHSA-N 1 1 472.037 4.242 20 0 JIADMO COc1cccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001315557862 1064578832 /nfs/dbraw/zinc/57/88/32/1064578832.db2.gz MXFKJEWFXFAKET-NHCUHLMSSA-N 1 1 455.647 4.063 20 0 JIADMO COc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCOc2ncccc2F)c1 ZINC001315558610 1064581623 /nfs/dbraw/zinc/58/16/23/1064581623.db2.gz ZKOBVQXFUFDQCD-UHFFFAOYSA-N 1 1 482.604 4.123 20 0 JIADMO COc1cccc([C@H]2C[C@@H](C)CN2c2nnc(CC(C)C)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001315570686 1064613913 /nfs/dbraw/zinc/61/39/13/1064613913.db2.gz OCFJSRRYJNLZMO-NFBKMPQASA-N 1 1 455.647 4.184 20 0 JIADMO COc1cccc([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3CCC[N@H+](C(C)C)C3)CCO2)c1 ZINC001315572032 1064618102 /nfs/dbraw/zinc/61/81/02/1064618102.db2.gz GXJVPCRUYRNUQH-QPPBQGQZSA-N 1 1 455.647 4.184 20 0 JIADMO COc1cccc(C=C2CCN(c3nnc(C(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)CC2)c1 ZINC001315572112 1064618964 /nfs/dbraw/zinc/61/89/64/1064618964.db2.gz HPJNMOMOOPUCRG-UHFFFAOYSA-N 1 1 453.631 4.205 20 0 JIADMO COc1cccc(C=C2CCN(c3nnc(C(C)C)n3CC[N@H+]3CCOC(C)(C)C3)CC2)c1 ZINC001315572112 1064618974 /nfs/dbraw/zinc/61/89/74/1064618974.db2.gz HPJNMOMOOPUCRG-UHFFFAOYSA-N 1 1 453.631 4.205 20 0 JIADMO COc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001315572949 1064622555 /nfs/dbraw/zinc/62/25/55/1064622555.db2.gz WPYKBRPCIJGVRW-ZJSXRUAMSA-N 1 1 482.673 4.279 20 0 JIADMO COc1cccc(CN(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC001315576738 1064634614 /nfs/dbraw/zinc/63/46/14/1064634614.db2.gz OTGGSKKHLNCFPY-MRXNPFEDSA-N 1 1 487.446 4.174 20 0 JIADMO COc1cccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001315576997 1064635661 /nfs/dbraw/zinc/63/56/61/1064635661.db2.gz DEWBFIVPEPLTNN-NRFANRHFSA-N 1 1 496.681 4.035 20 0 JIADMO COc1cccc(O[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC001315588077 1064670153 /nfs/dbraw/zinc/67/01/53/1064670153.db2.gz XQYMICGFQMXSFU-NRFANRHFSA-N 1 1 478.641 4.051 20 0 JIADMO COc1ccccc1-c1nnc(N(C)[C@H](C)c2cccs2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001315590160 1064676685 /nfs/dbraw/zinc/67/66/85/1064676685.db2.gz AEBZGHKEYKRBSK-GOSISDBHSA-N 1 1 455.628 4.323 20 0 JIADMO COc1ccccc1-c1nnc(N(C)[C@H](C)c2cccs2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001315590160 1064676689 /nfs/dbraw/zinc/67/66/89/1064676689.db2.gz AEBZGHKEYKRBSK-GOSISDBHSA-N 1 1 455.628 4.323 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@@]3(O)CCCC3(C)C)CC2)c1 ZINC001315591516 1064681158 /nfs/dbraw/zinc/68/11/58/1064681158.db2.gz ZTQOWGLJJCIEJK-NDEPHWFRSA-N 1 1 499.700 4.018 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC(=O)NC(C)C)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001315592445 1064684109 /nfs/dbraw/zinc/68/41/09/1064684109.db2.gz YGGCGQUKEFDMMG-YADARESESA-N 1 1 496.681 4.059 20 0 JIADMO COc1ccccc1-c1nnc(N(C)Cc2cccs2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001315593023 1064686711 /nfs/dbraw/zinc/68/67/11/1064686711.db2.gz YODXFVIESCRACX-LJQANCHMSA-N 1 1 455.628 4.153 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1C[C@@H]1CCCC1(C)C ZINC001315594022 1064689946 /nfs/dbraw/zinc/68/99/46/1064689946.db2.gz DHMAUUMGVRIPME-FQEVSTJZSA-N 1 1 455.647 4.327 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1C[C@@H]1CCCC1(C)C ZINC001315594022 1064689951 /nfs/dbraw/zinc/68/99/51/1064689951.db2.gz DHMAUUMGVRIPME-FQEVSTJZSA-N 1 1 455.647 4.327 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CCCSC)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315594625 1064691624 /nfs/dbraw/zinc/69/16/24/1064691624.db2.gz JZRYEGLFAJXTGR-KDURUIRLSA-N 1 1 461.676 4.031 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCc1sccc1C ZINC001315595190 1064693473 /nfs/dbraw/zinc/69/34/73/1064693473.db2.gz UIKZLNVGTCCVRS-BGYRXZFFSA-N 1 1 469.655 4.112 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCc1sccc1C ZINC001315595190 1064693477 /nfs/dbraw/zinc/69/34/77/1064693477.db2.gz UIKZLNVGTCCVRS-BGYRXZFFSA-N 1 1 469.655 4.112 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001315605594 1064720119 /nfs/dbraw/zinc/72/01/19/1064720119.db2.gz VOZBSZOAERXRQP-PKTZIBPZSA-N 1 1 496.700 4.063 20 0 JIADMO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001315617052 1064745643 /nfs/dbraw/zinc/74/56/43/1064745643.db2.gz QGULBCXOLUDYLU-VXKWHMMOSA-N 1 1 462.642 4.072 20 0 JIADMO 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CO[C@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCCn2cc[nH+]c2C)CC1(C)C ZINC001315714358 1065001848 /nfs/dbraw/zinc/00/18/48/1065001848.db2.gz PTMUYKCVAYAPBM-GCJKJVERSA-N 1 1 470.593 4.404 20 0 JIADMO CO[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@H+]2CCC[C@H](C)C2)CC[C@H]1C ZINC001315716753 1065007721 /nfs/dbraw/zinc/00/77/21/1065007721.db2.gz USBUBKLFGACJLL-FAKFISEUSA-N 1 1 459.610 4.150 20 0 JIADMO CO[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1(C)C ZINC001315717248 1065008906 /nfs/dbraw/zinc/00/89/06/1065008906.db2.gz OLXZGLDPSONMRX-AUUYWEPGSA-N 1 1 480.426 4.191 20 0 JIADMO CO[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCC[N@@H+](C)C(C)C)CC[C@H]1C ZINC001315719908 1065014350 /nfs/dbraw/zinc/01/43/50/1065014350.db2.gz UTOBGFVXJLJAEI-CVEARBPZSA-N 1 1 470.481 4.361 20 0 JIADMO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC[C@H]1C ZINC001315738501 1065043505 /nfs/dbraw/zinc/04/35/05/1065043505.db2.gz YLOCWJQZVAINPZ-JRFVFWCSSA-N 1 1 469.674 4.456 20 0 JIADMO 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HNJZZSSUSLSDLY-GIVPXCGWSA-N 1 1 495.590 4.301 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001316298687 1066059321 /nfs/dbraw/zinc/05/93/21/1066059321.db2.gz ZSGPJVDTMSXQQX-RNLGNXJRSA-N 1 1 491.721 4.298 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001316301923 1066062284 /nfs/dbraw/zinc/06/22/84/1066062284.db2.gz LMVPTBIWMATQMX-MQFRRQCYSA-N 1 1 491.627 4.252 20 0 JIADMO 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 1066064147 /nfs/dbraw/zinc/06/41/47/1066064147.db2.gz WTMQTVLNQFRZRR-WIYBCGNWSA-N 1 1 483.648 4.098 20 0 JIADMO CON(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001316311567 1066067643 /nfs/dbraw/zinc/06/76/43/1066067643.db2.gz VGZRQVPRKYLBAV-OAQYLSRUSA-N 1 1 476.666 4.187 20 0 JIADMO CSC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001316371304 1066120898 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/nfs/dbraw/zinc/23/18/87/1066231887.db2.gz CJRZAKTZIQSFLG-FQEVSTJZSA-N 1 1 461.484 4.033 20 0 JIADMO CSc1ccccc1CN(C)c1nnc(CC(C)(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001316423863 1066237927 /nfs/dbraw/zinc/23/79/27/1066237927.db2.gz JLHLRFKWIKBFQW-UHFFFAOYSA-N 1 1 458.720 4.251 20 0 JIADMO CSc1ccccc1CN(C)c1nnc(CC(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001316423863 1066237935 /nfs/dbraw/zinc/23/79/35/1066237935.db2.gz JLHLRFKWIKBFQW-UHFFFAOYSA-N 1 1 458.720 4.251 20 0 JIADMO CSc1ccccc1CN(C)c1nnc(CC(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001316423863 1066237947 /nfs/dbraw/zinc/23/79/47/1066237947.db2.gz JLHLRFKWIKBFQW-UHFFFAOYSA-N 1 1 458.720 4.251 20 0 JIADMO 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 1066239777 /nfs/dbraw/zinc/23/97/77/1066239777.db2.gz ARAJQSILQZLOKH-ZCNNSNEGSA-N 1 1 451.725 4.476 20 0 JIADMO CS[C@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001316426996 1066248046 /nfs/dbraw/zinc/24/80/46/1066248046.db2.gz DWDIIRQWEJAWBB-VXKWHMMOSA-N 1 1 478.106 4.091 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC001316427728 1066253124 /nfs/dbraw/zinc/25/31/24/1066253124.db2.gz UZFBFVSOTQDJBR-YMPZKCBVSA-N 1 1 457.688 4.415 20 0 JIADMO CC(C)[N@@H+](CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)CCc1ccccc1 ZINC001325995655 1066278307 /nfs/dbraw/zinc/27/83/07/1066278307.db2.gz IWXWFHBYGOPLNA-UHFFFAOYSA-N 1 1 478.058 4.406 20 0 JIADMO CSC[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001316433359 1066278522 /nfs/dbraw/zinc/27/85/22/1066278522.db2.gz OZAOFTVUQXAXDG-PUHATCMVSA-N 1 1 484.714 4.049 20 0 JIADMO CSCc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1 ZINC001316435511 1066286028 /nfs/dbraw/zinc/28/60/28/1066286028.db2.gz YUXWDSHAHOFOBB-HXUWFJFHSA-N 1 1 471.715 4.468 20 0 JIADMO Cc1cccc(-c2nnc(N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2CC[S@@](=O)C(C)(C)C)n1 ZINC001492501228 1066293414 /nfs/dbraw/zinc/29/34/14/1066293414.db2.gz HCCPGTKICKVCCB-JEHQLEFQSA-N 1 1 494.709 4.154 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)[C@@H](c2cnn(C)c2)C1 ZINC001327056902 1066310100 /nfs/dbraw/zinc/31/01/00/1066310100.db2.gz QTMYCCPIRAKPBR-XZOQPEGZSA-N 1 1 454.615 4.147 20 0 JIADMO COc1ccc(C[C@H](C)[N@@H+](C)CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 ZINC001327320809 1066315879 /nfs/dbraw/zinc/31/58/79/1066315879.db2.gz LBKXVENSLOWETR-SFHVURJKSA-N 1 1 494.057 4.025 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CCOC(C)(C)C)n2C[C@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC001492503828 1066317216 /nfs/dbraw/zinc/31/72/16/1066317216.db2.gz XGTBASRYOAATPM-DEOSSOPVSA-N 1 1 476.669 4.464 20 0 JIADMO Cc1cccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC001492505179 1066322922 /nfs/dbraw/zinc/32/29/22/1066322922.db2.gz VECJREZMTWDNRE-NRFANRHFSA-N 1 1 454.663 4.410 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(C(F)(F)F)(C(F)(F)F)C3)n2CC[N@@H+]2CC=CCC2)n1 ZINC001492508115 1066332321 /nfs/dbraw/zinc/33/23/21/1066332321.db2.gz IMRCBKLCUFUCET-UHFFFAOYSA-N 1 1 474.453 4.232 20 0 JIADMO Cc1cccc(-c2nnc(N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)n2CC[S@@](=O)C(C)(C)C)n1 ZINC001492509058 1066336361 /nfs/dbraw/zinc/33/63/61/1066336361.db2.gz GNYAIFXMPDHTCK-VXJJZJMSSA-N 1 1 494.709 4.297 20 0 JIADMO CSCCCCCCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001316454752 1066341576 /nfs/dbraw/zinc/34/15/76/1066341576.db2.gz UZIFHBHRWQLRKW-WIOPSUGQSA-N 1 1 498.741 4.247 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001492511806 1066347791 /nfs/dbraw/zinc/34/77/91/1066347791.db2.gz KLVHGCLMTXPRAO-HXUWFJFHSA-N 1 1 497.688 4.122 20 0 JIADMO COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)c3nc(-c4ccccc4)oc3C3CC3)CC2)cc1 ZINC001331366240 1066359389 /nfs/dbraw/zinc/35/93/89/1066359389.db2.gz QWOAQSWTOVHGLU-UHFFFAOYSA-N 1 1 489.572 4.119 20 0 JIADMO O=C([C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001331808166 1066362905 /nfs/dbraw/zinc/36/29/05/1066362905.db2.gz XLSPQCOOLRBWHT-RBZQAINGSA-N 1 1 474.630 4.311 20 0 JIADMO 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 1066363239 /nfs/dbraw/zinc/36/32/39/1066363239.db2.gz MOGQXPWZRCEQCE-KSEOMHKRSA-N 1 1 497.688 4.262 20 0 JIADMO FC(F)(F)c1ccccc1-n1ccc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)n1 ZINC001332501127 1066376215 /nfs/dbraw/zinc/37/62/15/1066376215.db2.gz PQYIVNIKYXLWSB-UHFFFAOYSA-N 1 1 455.440 4.440 20 0 JIADMO Cc1[nH+]ccn1CCCCn1c(N2CCC(O)(Cc3cccc(C)c3)CC2)nnc1C(C)(C)C ZINC001492524411 1066397813 /nfs/dbraw/zinc/39/78/13/1066397813.db2.gz NJHHINPXQWVFGG-UHFFFAOYSA-N 1 1 464.658 4.443 20 0 JIADMO C[C@@H](C1CCCCC1)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCOCC1 ZINC001316482486 1066399540 /nfs/dbraw/zinc/39/95/40/1066399540.db2.gz MSKSRSWDWZDARC-KRWDZBQOSA-N 1 1 479.467 4.163 20 0 JIADMO C[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)C[C@@H]1F ZINC001316492652 1066432382 /nfs/dbraw/zinc/43/23/82/1066432382.db2.gz PNCCAXYEQJBBGO-QFUCXCTJSA-N 1 1 482.069 4.255 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2CCc2nc(C(C)(C)C)cs2)C[C@H](C)O1 ZINC001316503113 1066467470 /nfs/dbraw/zinc/46/74/70/1066467470.db2.gz LRIFVXDZWDBERD-ZCNNSNEGSA-N 1 1 490.718 4.062 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@@H]3CCCCO3)n2CCc2nc(C(C)(C)C)cs2)C[C@H](C)O1 ZINC001316503113 1066467492 /nfs/dbraw/zinc/46/74/92/1066467492.db2.gz LRIFVXDZWDBERD-ZCNNSNEGSA-N 1 1 490.718 4.062 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC(C)(C)C)n2CCc2ccc(F)c(F)c2F)C[C@H](C)O1 ZINC001316503928 1066472228 /nfs/dbraw/zinc/47/22/28/1066472228.db2.gz VWHTYCGKRDYCDG-CALCHBBNSA-N 1 1 467.580 4.072 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC(C)(C)C)n2CCc2ccc(F)c(F)c2F)C[C@H](C)O1 ZINC001316503928 1066472244 /nfs/dbraw/zinc/47/22/44/1066472244.db2.gz VWHTYCGKRDYCDG-CALCHBBNSA-N 1 1 467.580 4.072 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccc3F)n2CCOC2CCCCCC2)C[C@H](C)O1 ZINC001316504456 1066474468 /nfs/dbraw/zinc/47/44/68/1066474468.db2.gz YLTHDQDSXOQYBS-OYRHEFFESA-N 1 1 473.637 4.369 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccc3F)n2CCOC2CCCCCC2)C[C@H](C)O1 ZINC001316504456 1066474470 /nfs/dbraw/zinc/47/44/70/1066474470.db2.gz YLTHDQDSXOQYBS-OYRHEFFESA-N 1 1 473.637 4.369 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[C@H]2CCOC2)C[C@H](C)O1 ZINC001316505296 1066478319 /nfs/dbraw/zinc/47/83/19/1066478319.db2.gz OZYRGKMRHYIACW-ZRBLBEILSA-N 1 1 499.700 4.127 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[C@H]2CCOC2)C[C@H](C)O1 ZINC001316505296 1066478343 /nfs/dbraw/zinc/47/83/43/1066478343.db2.gz OZYRGKMRHYIACW-ZRBLBEILSA-N 1 1 499.700 4.127 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(CN4C[C@@H](C)O[C@H](C)C4)cc3)CC2)cc1 ZINC001337480245 1066485233 /nfs/dbraw/zinc/48/52/33/1066485233.db2.gz DLRIQHQPIDSKEP-DNQXCXABSA-N 1 1 464.654 4.022 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(CN4C[C@@H](C)O[C@H](C)C4)cc3)CC2)cc1 ZINC001337480245 1066485266 /nfs/dbraw/zinc/48/52/66/1066485266.db2.gz DLRIQHQPIDSKEP-DNQXCXABSA-N 1 1 464.654 4.022 20 0 JIADMO O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001337498462 1066486566 /nfs/dbraw/zinc/48/65/66/1066486566.db2.gz AFIPFLISNIHGNK-VWLOTQADSA-N 1 1 461.585 4.365 20 0 JIADMO O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001337498462 1066486575 /nfs/dbraw/zinc/48/65/75/1066486575.db2.gz AFIPFLISNIHGNK-VWLOTQADSA-N 1 1 461.585 4.365 20 0 JIADMO COc1cc(Br)c(OC)c(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC001337629405 1066500462 /nfs/dbraw/zinc/50/04/62/1066500462.db2.gz SPAXHHSFPYGYTI-UHFFFAOYSA-N 1 1 469.326 4.139 20 0 JIADMO FC(F)C(F)(F)COCCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001316516791 1066514736 /nfs/dbraw/zinc/51/47/36/1066514736.db2.gz OCWPHTZKRVCZKH-QGZVFWFLSA-N 1 1 475.918 4.190 20 0 JIADMO CCN(C(=O)c1cn(-c2ccc(Br)cc2)nn1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001338103342 1066531019 /nfs/dbraw/zinc/53/10/19/1066531019.db2.gz JGNDQZCXHFTEHR-DYESRHJHSA-N 1 1 468.399 4.327 20 0 JIADMO Fc1ccc(C[N@@H+]2CCCN(c3nnc(C4CCCC4)n3CCCOCC(F)F)CC2)cc1 ZINC001316525120 1066538258 /nfs/dbraw/zinc/53/82/58/1066538258.db2.gz OTZLZNIYQQITLR-UHFFFAOYSA-N 1 1 465.564 4.459 20 0 JIADMO Cc1cccc(CN2CCN(c3nnc(CC(C)C)n3C[C@@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001492534645 1066581795 /nfs/dbraw/zinc/58/17/95/1066581795.db2.gz JGIKHEYSEYGMMR-BJKOFHAPSA-N 1 1 452.691 4.228 20 0 JIADMO Cc1cccc(CN2CCN(c3nnc(CC(C)C)n3C[C@@H](C)[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC001492534645 1066581805 /nfs/dbraw/zinc/58/18/05/1066581805.db2.gz JGIKHEYSEYGMMR-BJKOFHAPSA-N 1 1 452.691 4.228 20 0 JIADMO Cc1cccc(CN2CCN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCCCCC3)CC2)c1 ZINC001492534809 1066582507 /nfs/dbraw/zinc/58/25/07/1066582507.db2.gz OQLGAJNYYRKWHO-UHFFFAOYSA-N 1 1 452.691 4.373 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)[C@H]3CCOC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001492536561 1066587984 /nfs/dbraw/zinc/58/79/84/1066587984.db2.gz BLRQJFIFXRLUKS-BDTNDASRSA-N 1 1 455.647 4.147 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)Cc3ccc(Cl)s3)n2CCC[NH+]2CCOCC2)c1 ZINC001492538409 1066604496 /nfs/dbraw/zinc/60/44/96/1066604496.db2.gz DHEQGYYOUQQRGQ-UHFFFAOYSA-N 1 1 476.046 4.239 20 0 JIADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)CC1 ZINC001316589623 1066618827 /nfs/dbraw/zinc/61/88/27/1066618827.db2.gz VYQRXCBVOSFAEJ-MRXNPFEDSA-N 1 1 474.383 4.334 20 0 JIADMO Cc1cccc(OCc2nnc(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2CCCC(C)(C)C)c1 ZINC001492539418 1066625821 /nfs/dbraw/zinc/62/58/21/1066625821.db2.gz COASILFBYMEQFD-FYYLOGMGSA-N 1 1 455.647 4.149 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001492540924 1066637047 /nfs/dbraw/zinc/63/70/47/1066637047.db2.gz BPQWVFQDYGLOJW-QHCPKHFHSA-N 1 1 482.717 4.312 20 0 JIADMO Cc1cccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001492542624 1066658771 /nfs/dbraw/zinc/65/87/71/1066658771.db2.gz PPLRORAYTZIKDP-FCHUYYIVSA-N 1 1 455.647 4.290 20 0 JIADMO Cc1cccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001492542625 1066658900 /nfs/dbraw/zinc/65/89/00/1066658900.db2.gz PPLRORAYTZIKDP-FGZHOGPDSA-N 1 1 455.647 4.290 20 0 JIADMO COc1ccc2c(c1)c(C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)c(C)n2C1CC1 ZINC001317810423 1066702076 /nfs/dbraw/zinc/70/20/76/1066702076.db2.gz NWTJLQSOJODZEZ-SANMLTNESA-N 1 1 460.622 4.402 20 0 JIADMO COc1ccc2c(c1)c(C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c(C)n2C1CC1 ZINC001317810423 1066702084 /nfs/dbraw/zinc/70/20/84/1066702084.db2.gz NWTJLQSOJODZEZ-SANMLTNESA-N 1 1 460.622 4.402 20 0 JIADMO COc1ccc2c(c1)c(C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c(C)n2C1CC1 ZINC001317810423 1066702099 /nfs/dbraw/zinc/70/20/99/1066702099.db2.gz NWTJLQSOJODZEZ-SANMLTNESA-N 1 1 460.622 4.402 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(CC(=O)N(CC(F)(F)F)c3ccc(Cl)cc3)C2)ccn1 ZINC001347896249 1066705978 /nfs/dbraw/zinc/70/59/78/1066705978.db2.gz UVFBGAFBTWCBFD-OAQYLSRUSA-N 1 1 484.950 4.235 20 0 JIADMO CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(Cl)c1 ZINC001348123014 1066722501 /nfs/dbraw/zinc/72/25/01/1066722501.db2.gz KTPBNAMCSMRIMX-UHFFFAOYSA-N 1 1 451.995 4.452 20 0 JIADMO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC001317856758 1066735814 /nfs/dbraw/zinc/73/58/14/1066735814.db2.gz NELUOIHIRDLPNO-UHFFFAOYSA-N 1 1 466.607 4.155 20 0 JIADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(c3nc4ccccc4o3)CC2)CC1 ZINC001317869953 1066744570 /nfs/dbraw/zinc/74/45/70/1066744570.db2.gz KZHZDESCTBCTIC-UHFFFAOYSA-N 1 1 461.610 4.055 20 0 JIADMO C[C@H](OC(=O)c1csc(Cc2ccc(Cl)cc2)n1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001348475487 1066747648 /nfs/dbraw/zinc/74/76/48/1066747648.db2.gz FVORWMIOOQDKOS-LAUBAEHRSA-N 1 1 484.021 4.323 20 0 JIADMO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001317904136 1066773908 /nfs/dbraw/zinc/77/39/08/1066773908.db2.gz JVZYWLIOALOIPE-UXHICEINSA-N 1 1 462.594 4.407 20 0 JIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)c1 ZINC001317911859 1066781606 /nfs/dbraw/zinc/78/16/06/1066781606.db2.gz SKKVJNGUZZHUPX-UHFFFAOYSA-N 1 1 452.599 4.193 20 0 JIADMO COC(=O)c1coc(/C=C\C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c1 ZINC001348921851 1066790071 /nfs/dbraw/zinc/79/00/71/1066790071.db2.gz KRXIBZTXNKRRRL-TWGQIWQCSA-N 1 1 454.523 4.291 20 0 JIADMO CCCCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC001349116955 1066810546 /nfs/dbraw/zinc/81/05/46/1066810546.db2.gz LOXYWCOMMZBIRG-DEOSSOPVSA-N 1 1 457.640 4.409 20 0 JIADMO CCCCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)cc1 ZINC001349116955 1066810552 /nfs/dbraw/zinc/81/05/52/1066810552.db2.gz LOXYWCOMMZBIRG-DEOSSOPVSA-N 1 1 457.640 4.409 20 0 JIADMO COc1ccc(Cc2nc3ccccc3n2C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1OC ZINC001317967389 1066819598 /nfs/dbraw/zinc/81/95/98/1066819598.db2.gz QZGOGWVZOPMTMQ-QHCPKHFHSA-N 1 1 457.574 4.064 20 0 JIADMO CC(C)(CNC(=O)c1nn(-c2ccccc2F)cc1Br)[N@H+]1CCc2ccccc2C1 ZINC001317999359 1066841822 /nfs/dbraw/zinc/84/18/22/1066841822.db2.gz UBDOCEZDJLDMRV-UHFFFAOYSA-N 1 1 471.374 4.341 20 0 JIADMO C[NH+]1CCN([C@@H](CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)c2cccs2)CC1 ZINC001318010605 1066850115 /nfs/dbraw/zinc/85/01/15/1066850115.db2.gz YJRKSMNUUQSDFC-DEOSSOPVSA-N 1 1 457.603 4.077 20 0 JIADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)c1cn3c(cccc3C)n1)CC2 ZINC001318018422 1066855004 /nfs/dbraw/zinc/85/50/04/1066855004.db2.gz ARPBDWZVRPAGRQ-UHFFFAOYSA-N 1 1 456.546 4.471 20 0 JIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)c1cn3c(cccc3C)n1)CC2 ZINC001318018422 1066855009 /nfs/dbraw/zinc/85/50/09/1066855009.db2.gz ARPBDWZVRPAGRQ-UHFFFAOYSA-N 1 1 456.546 4.471 20 0 JIADMO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001318019414 1066855436 /nfs/dbraw/zinc/85/54/36/1066855436.db2.gz JPJHZYXBSKFUJM-IBGZPJMESA-N 1 1 453.612 4.231 20 0 JIADMO CCOc1ccc(C(=O)CCC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1OCC ZINC001318039461 1066865714 /nfs/dbraw/zinc/86/57/14/1066865714.db2.gz VLMZOOZRHJZYHX-UHFFFAOYSA-N 1 1 452.595 4.490 20 0 JIADMO CCOc1ccc(C(=O)CCC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1OCC ZINC001318039461 1066865715 /nfs/dbraw/zinc/86/57/15/1066865715.db2.gz VLMZOOZRHJZYHX-UHFFFAOYSA-N 1 1 452.595 4.490 20 0 JIADMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC001349813323 1066885927 /nfs/dbraw/zinc/88/59/27/1066885927.db2.gz FHXVEIORAWHWML-QFIPXVFZSA-N 1 1 452.014 4.157 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)C1 ZINC001318084323 1066891958 /nfs/dbraw/zinc/89/19/58/1066891958.db2.gz XJANOKPPVBCOSW-NKPLSRDGSA-N 1 1 463.622 4.336 20 0 JIADMO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC001318119322 1066909487 /nfs/dbraw/zinc/90/94/87/1066909487.db2.gz FPFJYZQNGDFHJR-UHFFFAOYSA-N 1 1 485.563 4.485 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCN(C(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001492547135 1066915145 /nfs/dbraw/zinc/91/51/45/1066915145.db2.gz PAZNPPBKVMSFSH-DEOSSOPVSA-N 1 1 468.690 4.351 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCN(C(C)C)CC3)n2CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001492547135 1066915153 /nfs/dbraw/zinc/91/51/53/1066915153.db2.gz PAZNPPBKVMSFSH-DEOSSOPVSA-N 1 1 468.690 4.351 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)C1 ZINC001318140905 1066920136 /nfs/dbraw/zinc/92/01/36/1066920136.db2.gz JCCGGVMVDJAKGC-CQSZACIVSA-N 1 1 450.366 4.413 20 0 JIADMO CCn1c2ccccc2c2cc(C[N@H+](C)CC(=O)N3CCC(C(=O)N4CCCC4)CC3)ccc21 ZINC001318141046 1066920270 /nfs/dbraw/zinc/92/02/70/1066920270.db2.gz NSNHLXFVPSVQMM-UHFFFAOYSA-N 1 1 460.622 4.107 20 0 JIADMO CCn1c2ccccc2c2cc(C[N@@H+](C)CC(=O)N3CCC(C(=O)N4CCCC4)CC3)ccc21 ZINC001318141046 1066920282 /nfs/dbraw/zinc/92/02/82/1066920282.db2.gz NSNHLXFVPSVQMM-UHFFFAOYSA-N 1 1 460.622 4.107 20 0 JIADMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001318141196 1066920769 /nfs/dbraw/zinc/92/07/69/1066920769.db2.gz FQKPDWHVIUQSGS-RPBOFIJWSA-N 1 1 488.657 4.452 20 0 JIADMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001318141196 1066920781 /nfs/dbraw/zinc/92/07/81/1066920781.db2.gz FQKPDWHVIUQSGS-RPBOFIJWSA-N 1 1 488.657 4.452 20 0 JIADMO COC(=O)c1ccc(/C=C\C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)o1 ZINC001350238616 1066935789 /nfs/dbraw/zinc/93/57/89/1066935789.db2.gz TWEZCZWNBXRJPD-POHAHGRESA-N 1 1 454.523 4.291 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)C1 ZINC001318172791 1066938921 /nfs/dbraw/zinc/93/89/21/1066938921.db2.gz BUMPYPZKFLUIHA-FQEVSTJZSA-N 1 1 469.651 4.268 20 0 JIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC001350389868 1066951988 /nfs/dbraw/zinc/95/19/88/1066951988.db2.gz VVWOHSWBTMLCCT-HNNXBMFYSA-N 1 1 452.530 4.121 20 0 JIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC001350389868 1066952000 /nfs/dbraw/zinc/95/20/00/1066952000.db2.gz VVWOHSWBTMLCCT-HNNXBMFYSA-N 1 1 452.530 4.121 20 0 JIADMO COc1cc(OC)c(OC)c2[nH]c(C(=O)Nc3ccc4[nH]c(C[NH+]5CCCCC5)nc4c3)cc21 ZINC001318215067 1066963741 /nfs/dbraw/zinc/96/37/41/1066963741.db2.gz WIDVBGSXGJGWEU-UHFFFAOYSA-N 1 1 463.538 4.308 20 0 JIADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001318220650 1066967984 /nfs/dbraw/zinc/96/79/84/1066967984.db2.gz DNQHOMSVVUJJGM-DEOSSOPVSA-N 1 1 462.981 4.110 20 0 JIADMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC001350563697 1066971603 /nfs/dbraw/zinc/97/16/03/1066971603.db2.gz GESDIZVSAFNFRK-PMACEKPBSA-N 1 1 451.558 4.238 20 0 JIADMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC001350563697 1066971613 /nfs/dbraw/zinc/97/16/13/1066971613.db2.gz GESDIZVSAFNFRK-PMACEKPBSA-N 1 1 451.558 4.238 20 0 JIADMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001350563700 1066971707 /nfs/dbraw/zinc/97/17/07/1066971707.db2.gz GESDIZVSAFNFRK-WOJBJXKFSA-N 1 1 451.558 4.238 20 0 JIADMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001350563700 1066971716 /nfs/dbraw/zinc/97/17/16/1066971716.db2.gz GESDIZVSAFNFRK-WOJBJXKFSA-N 1 1 451.558 4.238 20 0 JIADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001350564297 1066972261 /nfs/dbraw/zinc/97/22/61/1066972261.db2.gz MTLQPVFDLSZCSN-NQIIRXRSSA-N 1 1 457.640 4.467 20 0 JIADMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001350564297 1066972272 /nfs/dbraw/zinc/97/22/72/1066972272.db2.gz MTLQPVFDLSZCSN-NQIIRXRSSA-N 1 1 457.640 4.467 20 0 JIADMO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318229502 1066972777 /nfs/dbraw/zinc/97/27/77/1066972777.db2.gz FNIKASIAWKVCHK-UQBPGWFLSA-N 1 1 473.621 4.487 20 0 JIADMO CC(C)Cn1nc(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)c2ccccc2c1=O ZINC001318229244 1066972833 /nfs/dbraw/zinc/97/28/33/1066972833.db2.gz CIPZTCLTUYEJTP-UHFFFAOYSA-N 1 1 458.566 4.167 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCOc3cc(Cl)ccc3Cl)cc2)C1 ZINC001318236085 1066976455 /nfs/dbraw/zinc/97/64/55/1066976455.db2.gz BIUFZMJJMYOFDR-INIZCTEOSA-N 1 1 450.366 4.098 20 0 JIADMO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318238115 1066978116 /nfs/dbraw/zinc/97/81/16/1066978116.db2.gz PREYIWUQLKNEIE-CYBMUJFWSA-N 1 1 490.427 4.130 20 0 JIADMO Cc1ccccc1CN(Cc1cccnc1)C(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001318259041 1066987896 /nfs/dbraw/zinc/98/78/96/1066987896.db2.gz APFBNGWYHBXHLS-UHFFFAOYSA-N 1 1 457.622 4.049 20 0 JIADMO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318270785 1066994596 /nfs/dbraw/zinc/99/45/96/1066994596.db2.gz SDSRJGOJHRUTAT-UHFFFAOYSA-N 1 1 482.013 4.388 20 0 JIADMO CN1CCN(c2ccccc2CNC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001318288100 1067004046 /nfs/dbraw/zinc/00/40/46/1067004046.db2.gz QXLYFYQEINXOIO-UHFFFAOYSA-N 1 1 492.495 4.409 20 0 JIADMO COc1ccccc1SCc1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@](C)(O)CCC(C)C ZINC001300683725 1067021340 /nfs/dbraw/zinc/02/13/40/1067021340.db2.gz NFIVBLTVZPTBSS-HFZDXXHNSA-N 1 1 487.714 4.441 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)c3cc(F)ccc3N3CCC(O)CC3)CC2)cc1 ZINC001318347490 1067027082 /nfs/dbraw/zinc/02/70/82/1067027082.db2.gz HGPVDVILINKCKU-NRFANRHFSA-N 1 1 468.617 4.074 20 0 JIADMO CC(=O)N[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1ccc(Br)cc1 ZINC001318478747 1067047913 /nfs/dbraw/zinc/04/79/13/1067047913.db2.gz OBHFADJGYNJNKJ-QHCPKHFHSA-N 1 1 472.427 4.059 20 0 JIADMO 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 1067067873 /nfs/dbraw/zinc/06/78/73/1067067873.db2.gz YDSGGZJEURPWPQ-GUSDDNLUSA-N 1 1 457.977 4.025 20 0 JIADMO CC(C)c1oc(-c2ccccc2)nc1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001319969231 1067083802 /nfs/dbraw/zinc/08/38/02/1067083802.db2.gz XYYSJQPUKGTKBB-UHFFFAOYSA-N 1 1 476.577 4.056 20 0 JIADMO COC1CCC(CCn2c(-c3ccccc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001300713574 1067088235 /nfs/dbraw/zinc/08/82/35/1067088235.db2.gz KYLRJBUFBACDMQ-FPCVHMJOSA-N 1 1 455.647 4.086 20 0 JIADMO COC1CCC(CCn2c(-c3ccccc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001300713574 1067088244 /nfs/dbraw/zinc/08/82/44/1067088244.db2.gz KYLRJBUFBACDMQ-FPCVHMJOSA-N 1 1 455.647 4.086 20 0 JIADMO COC1CCC(CCn2c(CC3CCCC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001300720898 1067107836 /nfs/dbraw/zinc/10/78/36/1067107836.db2.gz FVDKTAGVRPHXGC-FPCVHMJOSA-N 1 1 461.695 4.152 20 0 JIADMO COC1CCC(CCn2c(CC3CCCC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001300720898 1067107858 /nfs/dbraw/zinc/10/78/58/1067107858.db2.gz FVDKTAGVRPHXGC-FPCVHMJOSA-N 1 1 461.695 4.152 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001321486698 1067144317 /nfs/dbraw/zinc/14/43/17/1067144317.db2.gz RCWLEQVDQFUJNN-LJQANCHMSA-N 1 1 463.557 4.179 20 0 JIADMO COCC(=O)Nc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1 ZINC001351632061 1067152166 /nfs/dbraw/zinc/15/21/66/1067152166.db2.gz WNABDEQITVQMHK-LEAFIULHSA-N 1 1 457.574 4.300 20 0 JIADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(C)(C)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC001321519472 1067154519 /nfs/dbraw/zinc/15/45/19/1067154519.db2.gz NDRKZUARTYSYKT-UHFFFAOYSA-N 1 1 484.449 4.236 20 0 JIADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(C)(C)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC001321519472 1067154532 /nfs/dbraw/zinc/15/45/32/1067154532.db2.gz NDRKZUARTYSYKT-UHFFFAOYSA-N 1 1 484.449 4.236 20 0 JIADMO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]Cc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC001321655004 1067192268 /nfs/dbraw/zinc/19/22/68/1067192268.db2.gz YCZLXHWYORKWLZ-QFIPXVFZSA-N 1 1 491.901 4.197 20 0 JIADMO Fc1cc(Br)cc(Br)c1NC(=S)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001200803999 1067215964 /nfs/dbraw/zinc/21/59/64/1067215964.db2.gz HSTWKUSQCPSEAC-ZDUSSCGKSA-N 1 1 488.224 4.307 20 0 JIADMO Fc1cc(Br)cc(Br)c1NC(=S)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001200803999 1067215980 /nfs/dbraw/zinc/21/59/80/1067215980.db2.gz HSTWKUSQCPSEAC-ZDUSSCGKSA-N 1 1 488.224 4.307 20 0 JIADMO CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=S)NC[C@@H]1CCC[N@H+]1CC ZINC001322202739 1067262383 /nfs/dbraw/zinc/26/23/83/1067262383.db2.gz WIRILPSNOMHMPA-INIZCTEOSA-N 1 1 477.652 4.380 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)NCCC(=O)Nc3ccc(Br)cc3C)CC2)cc1 ZINC001322309234 1067274505 /nfs/dbraw/zinc/27/45/05/1067274505.db2.gz WNMHOQVPJOHITL-UHFFFAOYSA-N 1 1 487.442 4.312 20 0 JIADMO CO[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCCn2cc[nH+]c2C)C1 ZINC001300756690 1067284412 /nfs/dbraw/zinc/28/44/12/1067284412.db2.gz YTRCFRADULJOJM-QUCCMNQESA-N 1 1 456.566 4.158 20 0 JIADMO Cc1cc(Cl)cc(Cl)c1NC(=S)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001200820066 1067289630 /nfs/dbraw/zinc/28/96/30/1067289630.db2.gz SSYKIPOSOSHEBP-UHFFFAOYSA-N 1 1 480.465 4.321 20 0 JIADMO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)c2ccc(F)cc2)c1 ZINC001200821636 1067294920 /nfs/dbraw/zinc/29/49/20/1067294920.db2.gz OSAKEYBJMLEOHC-ILBGXUMGSA-N 1 1 455.551 4.276 20 0 JIADMO CCc1cc(OCC(=O)N(C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)ccc1Cl ZINC001322451614 1067295581 /nfs/dbraw/zinc/29/55/81/1067295581.db2.gz GHTFJZBVQGNKKK-UHFFFAOYSA-N 1 1 460.018 4.425 20 0 JIADMO Cc1cccc(C)c1OCCn1c([C@H]2CCCCO2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001492493448 1067307161 /nfs/dbraw/zinc/30/71/61/1067307161.db2.gz UBYIWADCHDTXSL-HSZRJFAPSA-N 1 1 485.673 4.010 20 0 JIADMO COc1cc(Br)c(OC)c(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001322768504 1067308627 /nfs/dbraw/zinc/30/86/27/1067308627.db2.gz HKFFRIVQASYOTO-IYBDPMFKSA-N 1 1 477.399 4.006 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)CC2)cc1 ZINC001322874669 1067310546 /nfs/dbraw/zinc/31/05/46/1067310546.db2.gz QNOIFKNMIZYVPA-QFIPXVFZSA-N 1 1 484.666 4.155 20 0 JIADMO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3CNC(=O)OC(C)(C)C)cc2Cl)CC1 ZINC001352318144 1067331306 /nfs/dbraw/zinc/33/13/06/1067331306.db2.gz MXKHDFMGLXZGHV-UHFFFAOYSA-N 1 1 458.990 4.369 20 0 JIADMO C[NH+]1CCN(c2ccc(NC(=O)C3(NC(=O)OC(C)(C)C)CCCCC3)cc2Cl)CC1 ZINC001352320094 1067331698 /nfs/dbraw/zinc/33/16/98/1067331698.db2.gz UEVWKUPMKNWRFH-UHFFFAOYSA-N 1 1 451.011 4.258 20 0 JIADMO CC(C)(C)[NH+]1CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)CC1 ZINC001324311756 1067337924 /nfs/dbraw/zinc/33/79/24/1067337924.db2.gz PEQZURQKFDLRMZ-UHFFFAOYSA-N 1 1 453.587 4.108 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3cccs3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC001300002231 1067342836 /nfs/dbraw/zinc/34/28/36/1067342836.db2.gz LXFNRVFOUGCNBF-IBGZPJMESA-N 1 1 485.654 4.161 20 0 JIADMO Cc1ccccc1[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001492554098 1067353637 /nfs/dbraw/zinc/35/36/37/1067353637.db2.gz RRPXLPZBHKNNPI-FGZHOGPDSA-N 1 1 452.647 4.284 20 0 JIADMO C[C@H](CNC(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)[N@H+]1CCCC[C@@H]1C ZINC001200851978 1067357194 /nfs/dbraw/zinc/35/71/94/1067357194.db2.gz RFUUNFPCNPHGFQ-RBUKOAKNSA-N 1 1 450.649 4.024 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001492555374 1067365936 /nfs/dbraw/zinc/36/59/36/1067365936.db2.gz KGPKAFTWLXUWAW-UNMCSNQZSA-N 1 1 466.674 4.417 20 0 JIADMO Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001492554933 1067372883 /nfs/dbraw/zinc/37/28/83/1067372883.db2.gz ZHDZPXKAOPFWLY-OPAMFIHVSA-N 1 1 490.471 4.342 20 0 JIADMO COc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CCC[N@@H+](C)C(C)C)cc1OC ZINC001300018974 1067382088 /nfs/dbraw/zinc/38/20/88/1067382088.db2.gz LVGQBPFVDQYWLJ-UHFFFAOYSA-N 1 1 459.635 4.086 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@@H](C)CC(C)(C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300021819 1067386601 /nfs/dbraw/zinc/38/66/01/1067386601.db2.gz KVCFBPZKQLXOML-NZQKXSOJSA-N 1 1 455.647 4.183 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300022964 1067390889 /nfs/dbraw/zinc/39/08/89/1067390889.db2.gz AGXJEHZNZJJIIW-YKSBVNFPSA-N 1 1 485.673 4.336 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300022961 1067390975 /nfs/dbraw/zinc/39/09/75/1067390975.db2.gz AGXJEHZNZJJIIW-GBXCKJPGSA-N 1 1 485.673 4.336 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCCCCSC)c(OC)c1 ZINC001300027367 1067401974 /nfs/dbraw/zinc/40/19/74/1067401974.db2.gz MPNLIBBSRAXDCQ-RBUKOAKNSA-N 1 1 459.660 4.169 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCOC(C)(C)C)cc1Br ZINC001300027864 1067403736 /nfs/dbraw/zinc/40/37/36/1067403736.db2.gz WJDOJALFSQKIAZ-FUHWJXTLSA-N 1 1 492.462 4.204 20 0 JIADMO COc1ccc(-c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c(OC)c1 ZINC001300032952 1067429685 /nfs/dbraw/zinc/42/96/85/1067429685.db2.gz 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CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)[C@H](C)C1 ZINC001353377292 1068070902 /nfs/dbraw/zinc/07/09/02/1068070902.db2.gz UYGYOXQXFGEWKN-TZIWHRDSSA-N 1 1 452.624 4.468 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001492565407 1068078698 /nfs/dbraw/zinc/07/86/98/1068078698.db2.gz DQROYAPPMAGPAZ-FCHUYYIVSA-N 1 1 466.674 4.117 20 0 JIADMO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001200332834 1068098494 /nfs/dbraw/zinc/09/84/94/1068098494.db2.gz LQYPSHMFGBZACM-RQNOJGIXSA-N 1 1 491.742 4.390 20 0 JIADMO COc1ccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2c(C)coc2C)cc1 ZINC001300292406 1068098738 /nfs/dbraw/zinc/09/87/38/1068098738.db2.gz SKENNCREYQHERP-UHFFFAOYSA-N 1 1 467.614 4.434 20 0 JIADMO Cc1ccc(CN2C[C@H](C(=O)NC[C@@H]3CCCC[N@@H+]3Cc3cccc(Cl)c3)CC2=O)cc1 ZINC001358478460 1068099923 /nfs/dbraw/zinc/09/99/23/1068099923.db2.gz FLXGKRKNGPYPSU-VWNXMTODSA-N 1 1 454.014 4.168 20 0 JIADMO 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COCC(COC)[NH+]1CCN([C@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)CC1 ZINC001473547393 1068236457 /nfs/dbraw/zinc/23/64/57/1068236457.db2.gz ZBQRMHLILBFXJB-LJQANCHMSA-N 1 1 457.018 4.078 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C(C)C)n3Cc3ccnc(SC)c3)CC2)c1 ZINC001300332618 1068285224 /nfs/dbraw/zinc/28/52/24/1068285224.db2.gz MMHKXMHCPOWVQE-LJQANCHMSA-N 1 1 466.655 4.459 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3CCC(=O)N3CCCCCC3)CC2)c1 ZINC001300334081 1068298415 /nfs/dbraw/zinc/29/84/15/1068298415.db2.gz FAEQDNVMNAQPCH-HSZRJFAPSA-N 1 1 496.700 4.161 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(CC(C)C)n3CC(F)(F)Br)CC2)c1 ZINC001300334322 1068300058 /nfs/dbraw/zinc/30/00/58/1068300058.db2.gz FXFYIYQNIAKTDA-INIZCTEOSA-N 1 1 486.405 4.356 20 0 JIADMO COc1cccc(-c2nnc(N(C)Cc3c(C)nn(C)c3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001300343750 1068336445 /nfs/dbraw/zinc/33/64/45/1068336445.db2.gz PCCNDANMWFUMRB-QFIPXVFZSA-N 1 1 479.673 4.308 20 0 JIADMO COc1cccc(-c2nnc(N(C)C3CCC(C)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001300345665 1068342928 /nfs/dbraw/zinc/34/29/28/1068342928.db2.gz REFMEVNWOHLSHR-QKDPSFTKSA-N 1 1 455.647 4.470 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3nnc(Nc4ccccc4)s3)CC2)cc1 ZINC000524513733 1068353292 /nfs/dbraw/zinc/35/32/92/1068353292.db2.gz BMDIEYMJIQYVIU-UHFFFAOYSA-N 1 1 453.637 4.417 20 0 JIADMO COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000620161041 1068355187 /nfs/dbraw/zinc/35/51/87/1068355187.db2.gz PRAIJRFXGLKXBW-NRFANRHFSA-N 1 1 492.645 4.428 20 0 JIADMO COc1cccc(-c2nnc(N(C)Cc3nccs3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001300351039 1068362150 /nfs/dbraw/zinc/36/21/50/1068362150.db2.gz WHTQKYRGQBQJBY-IBGZPJMESA-N 1 1 454.644 4.415 20 0 JIADMO COc1cccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001300359827 1068383998 /nfs/dbraw/zinc/38/39/98/1068383998.db2.gz HKKKELDXDGAVFO-NFBKMPQASA-N 1 1 455.647 4.470 20 0 JIADMO COc1cccc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001300361211 1068389512 /nfs/dbraw/zinc/38/95/12/1068389512.db2.gz JIXFXPIGSHACCS-GGAORHGYSA-N 1 1 455.647 4.183 20 0 JIADMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O ZINC001353673414 1068427716 /nfs/dbraw/zinc/42/77/16/1068427716.db2.gz FYFPXMVWHXQFIT-CNYBTUBUSA-N 1 1 456.395 4.019 20 0 JIADMO COc1cccc(-c2nnc(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)n2CCSC(C)C)c1 ZINC001300378237 1068459617 /nfs/dbraw/zinc/45/96/17/1068459617.db2.gz ZNAMWHSUQRMFIL-UHFFFAOYSA-N 1 1 486.730 4.090 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2ccc(OC(C)C)nc2)c1 ZINC001300384359 1068477016 /nfs/dbraw/zinc/47/70/16/1068477016.db2.gz HHRMWFRFTPYZKV-UHFFFAOYSA-N 1 1 464.614 4.105 20 0 JIADMO COc1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001300385197 1068481168 /nfs/dbraw/zinc/48/11/68/1068481168.db2.gz MWNNDGJZTZSNSM-UHFFFAOYSA-N 1 1 494.606 4.150 20 0 JIADMO 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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 ZINC001300411848 1068592814 /nfs/dbraw/zinc/59/28/14/1068592814.db2.gz XZLFFGVHSKQMKZ-ZRCGQRJVSA-N 1 1 485.673 4.050 20 0 JIADMO CC[C@H](CC(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(OC)cc1 ZINC001353828772 1068634652 /nfs/dbraw/zinc/63/46/52/1068634652.db2.gz IOETVHQHYBQNOT-GOSISDBHSA-N 1 1 457.546 4.018 20 0 JIADMO COc1cccc(CN(C)c2nnc(Cc3ccsc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001300421076 1068636435 /nfs/dbraw/zinc/63/64/35/1068636435.db2.gz UEZNCWNUJQAZNT-BGYRXZFFSA-N 1 1 483.682 4.463 20 0 JIADMO C[C@H]1C[C@H](N(C)C(=O)c2oc3ccccc3c2CS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001353843046 1068652374 /nfs/dbraw/zinc/65/23/74/1068652374.db2.gz AUCPSQHQLRXJAW-AZUAARDMSA-N 1 1 454.592 4.103 20 0 JIADMO C[C@H]1C[C@H](N(C)C(=O)c2oc3ccccc3c2CS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001353843046 1068652392 /nfs/dbraw/zinc/65/23/92/1068652392.db2.gz AUCPSQHQLRXJAW-AZUAARDMSA-N 1 1 454.592 4.103 20 0 JIADMO 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COc1cccc(Cl)c1Cn1c(CC(C)C)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001300440729 1068713526 /nfs/dbraw/zinc/71/35/26/1068713526.db2.gz XAYBJDHEMGAGNL-OYRHEFFESA-N 1 1 489.108 4.182 20 0 JIADMO COc1cccc(O[C@@H](C)Cn2c(N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)nnc2C(C)(C)C)c1 ZINC001300448566 1068746719 /nfs/dbraw/zinc/74/67/19/1068746719.db2.gz GMBSZQZROXIMNP-ZRBLBEILSA-N 1 1 498.716 4.047 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)c3nccs3)CC2)c1 ZINC001300450491 1068755116 /nfs/dbraw/zinc/75/51/16/1068755116.db2.gz FJWAJDMAHVNACW-LJQANCHMSA-N 1 1 484.670 4.045 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(C)n3C[C@H]3C[C@@H](OC(C)(C)C)C3(C)C)CC2)c1 ZINC001300451009 1068755923 /nfs/dbraw/zinc/75/59/23/1068755923.db2.gz IQSKVYCGOYANGE-ZJSXRUAMSA-N 1 1 485.673 4.026 20 0 JIADMO COc1ccccc1-c1nnc(N(C)Cc2scnc2C)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300464514 1068802343 /nfs/dbraw/zinc/80/23/43/1068802343.db2.gz ADTWEWQENZENRM-HDICACEKSA-N 1 1 484.670 4.243 20 0 JIADMO 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COc1cc(NC(=S)N2CC[NH+](C[C@H](OC)c3ccccc3)CC2)c(OC)cc1Cl ZINC001200536750 1068850360 /nfs/dbraw/zinc/85/03/60/1068850360.db2.gz IPBLTOKSFWPNDO-NRFANRHFSA-N 1 1 450.004 4.059 20 0 JIADMO COCC[S@](=O)Cc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001200542327 1068859017 /nfs/dbraw/zinc/85/90/17/1068859017.db2.gz KKOKDZYWYJIMKZ-NMBBPBTKSA-N 1 1 457.640 4.099 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(OC(C)(C)C)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001300493824 1068861129 /nfs/dbraw/zinc/86/11/29/1068861129.db2.gz XKDXDDSWODBJJF-OAQYLSRUSA-N 1 1 485.673 4.239 20 0 JIADMO COc1ccc(F)cc1C[NH+]1CCC(NC(=S)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC001200549915 1068870700 /nfs/dbraw/zinc/87/07/00/1068870700.db2.gz ZMBCAHITIZWXGS-UHFFFAOYSA-N 1 1 467.994 4.456 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H](SC)C(C)(C)C ZINC001300505349 1068876554 /nfs/dbraw/zinc/87/65/54/1068876554.db2.gz DWJZVGBCOXYHCP-QHCPKHFHSA-N 1 1 497.713 4.177 20 0 JIADMO 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COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CC2(CCOCC2)[C@@H]1c1cnn(CC(C)C)c1 ZINC000849479420 1069047978 /nfs/dbraw/zinc/04/79/78/1069047978.db2.gz QNGYOKXWBZRUHX-DEOSSOPVSA-N 1 1 467.566 4.434 20 0 JIADMO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC2(CCOCC2)[C@@H]1c1cnn(CC(C)C)c1 ZINC000849479420 1069047997 /nfs/dbraw/zinc/04/79/97/1069047997.db2.gz QNGYOKXWBZRUHX-DEOSSOPVSA-N 1 1 467.566 4.434 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849485952 1069052810 /nfs/dbraw/zinc/05/28/10/1069052810.db2.gz ZDSFXLBAOYCPTH-JBACZVJFSA-N 1 1 451.640 4.250 20 0 JIADMO Cc1csc(SCc2ccccc2C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)n1 ZINC001300566341 1069056028 /nfs/dbraw/zinc/05/60/28/1069056028.db2.gz GULCOAQCNFCWCG-NRFANRHFSA-N 1 1 453.633 4.240 20 0 JIADMO 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 1069056286 /nfs/dbraw/zinc/05/62/86/1069056286.db2.gz CYFZZLQLPUQTKR-SXWKCWPCSA-N 1 1 496.537 4.256 20 0 JIADMO 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473.621 4.111 20 0 JIADMO Cc1cc(C)nc(Sc2ccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)n1 ZINC000849494299 1069063856 /nfs/dbraw/zinc/06/38/56/1069063856.db2.gz SNWFFOXJOAFQSC-PKTZIBPZSA-N 1 1 464.639 4.431 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCCO[C@H](C)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001300568206 1069065752 /nfs/dbraw/zinc/06/57/52/1069065752.db2.gz QKYLZJCCVNGCLQ-LEWJYISDSA-N 1 1 455.647 4.003 20 0 JIADMO COc1ccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1NC(=O)c1cccc(F)c1 ZINC000849501310 1069073127 /nfs/dbraw/zinc/07/31/27/1069073127.db2.gz UPMOPXOLRNNTMP-GOTSBHOMSA-N 1 1 493.583 4.273 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2cccc(COCc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849501534 1069073861 /nfs/dbraw/zinc/07/38/61/1069073861.db2.gz WBZVAXAAIUNUHI-RRPNLBNLSA-N 1 1 460.622 4.267 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccccc2COCc2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849501099 1069073918 /nfs/dbraw/zinc/07/39/18/1069073918.db2.gz SKWVUSXLCFVYKK-SVBPBHIXSA-N 1 1 460.622 4.267 20 0 JIADMO Cc1nc(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)sc1Cc1cccc(Br)c1 ZINC000849502429 1069074793 /nfs/dbraw/zinc/07/47/93/1069074793.db2.gz CAYFEEXJBPAEQY-MOPGFXCFSA-N 1 1 488.455 4.212 20 0 JIADMO COc1cc([C@H](C)NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OC1CCCC1 ZINC000849503481 1069079714 /nfs/dbraw/zinc/07/97/14/1069079714.db2.gz YFPXPUCXTXLGJG-IEXUWNMDSA-N 1 1 468.642 4.441 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(COCCOc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849504344 1069080596 /nfs/dbraw/zinc/08/05/96/1069080596.db2.gz OKEWZYSBCSRORI-RRPNLBNLSA-N 1 1 476.621 4.468 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849505734 1069086279 /nfs/dbraw/zinc/08/62/79/1069086279.db2.gz JBCAPDAQNUIDTN-CLJLJLNGSA-N 1 1 465.686 4.317 20 0 JIADMO 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 1069086304 /nfs/dbraw/zinc/08/63/04/1069086304.db2.gz LBBSNSGKUIKPEG-VXKWHMMOSA-N 1 1 480.575 4.451 20 0 JIADMO 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 1069086330 /nfs/dbraw/zinc/08/63/30/1069086330.db2.gz LBBSNSGKUIKPEG-FGZHOGPDSA-N 1 1 480.575 4.451 20 0 JIADMO COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc1F ZINC000849508272 1069088949 /nfs/dbraw/zinc/08/89/49/1069088949.db2.gz HWBJWOQGUOZZGK-VQTJNVASSA-N 1 1 452.530 4.343 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849507754 1069088989 /nfs/dbraw/zinc/08/89/89/1069088989.db2.gz SNJQQQCOTPFOPR-MOPGFXCFSA-N 1 1 469.973 4.371 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cn1 ZINC000849507589 1069089976 /nfs/dbraw/zinc/08/99/76/1069089976.db2.gz DKFNFFACMVZZBJ-FCHUYYIVSA-N 1 1 466.973 4.392 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC2(c3ccc(Br)cc3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849510217 1069090766 /nfs/dbraw/zinc/09/07/66/1069090766.db2.gz PHRWHBAZMDBFSG-SFTDATJTSA-N 1 1 459.432 4.192 20 0 JIADMO COc1ccc(C2(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CCCCC2)cc1 ZINC000849511026 1069094546 /nfs/dbraw/zinc/09/45/46/1069094546.db2.gz WRZLRSOEPDUMEG-JWQCQUIFSA-N 1 1 452.643 4.261 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849513220 1069097115 /nfs/dbraw/zinc/09/71/15/1069097115.db2.gz QYDJTHUOBYWPFQ-ZEQRLZLVSA-N 1 1 456.594 4.271 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849513178 1069097152 /nfs/dbraw/zinc/09/71/52/1069097152.db2.gz AOLXCRBHSKYGII-DNQXCXABSA-N 1 1 462.642 4.415 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849513479 1069097755 /nfs/dbraw/zinc/09/77/55/1069097755.db2.gz SNPADWHJEVLGKQ-FTJBHMTQSA-N 1 1 458.606 4.152 20 0 JIADMO Cc1nnc(Sc2ccc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)c(C)c2)s1 ZINC000849513572 1069098110 /nfs/dbraw/zinc/09/81/10/1069098110.db2.gz CMRCMGWVQBWVAR-PMACEKPBSA-N 1 1 470.668 4.492 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccccc2NC(=O)c2cccs2)[C@H](c2cnn(C)c2)C1 ZINC000849516413 1069100714 /nfs/dbraw/zinc/10/07/14/1069100714.db2.gz PHVXKLQDUMGWKM-MOPGFXCFSA-N 1 1 451.596 4.187 20 0 JIADMO 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 1069101804 /nfs/dbraw/zinc/10/18/04/1069101804.db2.gz NCJCBAMMQQEKDD-AJSBUHFISA-N 1 1 497.043 4.344 20 0 JIADMO COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1OC ZINC000849516217 1069101849 /nfs/dbraw/zinc/10/18/49/1069101849.db2.gz ORYKWJASEVTVPZ-ISJGIBHGSA-N 1 1 482.669 4.265 20 0 JIADMO COc1ccc(C[C@H](NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2ccccc2)cc1OC ZINC000849517055 1069103295 /nfs/dbraw/zinc/10/32/95/1069103295.db2.gz MPXZRLFQNMFTIW-NXCFDTQHSA-N 1 1 490.648 4.351 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518001 1069106021 /nfs/dbraw/zinc/10/60/21/1069106021.db2.gz MQZZDHCDHDSXMQ-ZEQRLZLVSA-N 1 1 463.651 4.497 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518818 1069109159 /nfs/dbraw/zinc/10/91/59/1069109159.db2.gz HMNUVKLNCACKFE-YADHBBJMSA-N 1 1 452.580 4.153 20 0 JIADMO COc1ccc(-c2cc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@H]3c3cnn(C)c3)n(-c3cccc(C)c3)n2)cc1 ZINC000849518640 1069110113 /nfs/dbraw/zinc/11/01/13/1069110113.db2.gz SHIXLMKMWBNOLV-RPBOFIJWSA-N 1 1 484.604 4.264 20 0 JIADMO COc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849520871 1069112902 /nfs/dbraw/zinc/11/29/02/1069112902.db2.gz YVFYZLLAVNNRIC-ISKFKSNPSA-N 1 1 475.593 4.134 20 0 JIADMO 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 ZINC000849522141 1069114350 /nfs/dbraw/zinc/11/43/50/1069114350.db2.gz XFCAILSBIGFZLR-ZIPGFTOQSA-N 1 1 466.626 4.038 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc3ccccc3n2CCCc2ccccc2)cn1 ZINC000849522326 1069114405 /nfs/dbraw/zinc/11/44/05/1069114405.db2.gz YDMZXWPKMKILTI-DHIUTWEWSA-N 1 1 456.594 4.077 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)cn1 ZINC000849524907 1069118891 /nfs/dbraw/zinc/11/88/91/1069118891.db2.gz KWPYEXYZVFEZRA-GOTSBHOMSA-N 1 1 499.537 4.043 20 0 JIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cnn(Cc2ccccc2)c1Br ZINC001354338428 1069121969 /nfs/dbraw/zinc/12/19/69/1069121969.db2.gz FORAPEJURKDLAB-LJQANCHMSA-N 1 1 457.372 4.244 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccccc2Oc2cccc(F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849525759 1069122473 /nfs/dbraw/zinc/12/24/73/1069122473.db2.gz OLPJFYUDITXWAK-BJKOFHAPSA-N 1 1 450.558 4.482 20 0 JIADMO COc1ccccc1CCN(C)c1nnc(-c2cccn2C)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001300583014 1069125638 /nfs/dbraw/zinc/12/56/38/1069125638.db2.gz MXVCDFHHRXUTEO-RTWAWAEBSA-N 1 1 450.631 4.092 20 0 JIADMO Cc1ccc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2ccc(F)cc2Cl)cc1 ZINC000849527686 1069128262 /nfs/dbraw/zinc/12/82/62/1069128262.db2.gz XKRAHXYLZYDEON-FJIJXJHWSA-N 1 1 454.977 4.462 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(-c3cccc(Br)c3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849529319 1069130270 /nfs/dbraw/zinc/13/02/70/1069130270.db2.gz ZEPGLURGCJXDRM-ZWKOTPCHSA-N 1 1 489.443 4.154 20 0 JIADMO CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)Cc1ccc(Cl)cc1Cl ZINC000849534389 1069143813 /nfs/dbraw/zinc/14/38/13/1069143813.db2.gz IFWUHPVOQUCBLT-YYWHXJBOSA-N 1 1 451.442 4.393 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CC23CCOCC3)cn1 ZINC000849534890 1069148923 /nfs/dbraw/zinc/14/89/23/1069148923.db2.gz LTCAJFUGCITNMJ-DHLKQENFSA-N 1 1 468.617 4.271 20 0 JIADMO CC(C)Cn1cc([C@H]2N(C(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CC23CCOCC3)cn1 ZINC000849538051 1069159342 /nfs/dbraw/zinc/15/93/42/1069159342.db2.gz XNFCZSKOIHLTOA-DNQXCXABSA-N 1 1 454.590 4.023 20 0 JIADMO CC(C)Cn1cc([C@H]2N(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)CC23CCOCC3)cn1 ZINC000849538051 1069159351 /nfs/dbraw/zinc/15/93/51/1069159351.db2.gz XNFCZSKOIHLTOA-DNQXCXABSA-N 1 1 454.590 4.023 20 0 JIADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000849537520 1069161808 /nfs/dbraw/zinc/16/18/08/1069161808.db2.gz UEMKKSAXEDOLJF-WXFUMESZSA-N 1 1 452.002 4.142 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc(-c3cc(Br)cs3)cs2)cn1 ZINC000849543158 1069175107 /nfs/dbraw/zinc/17/51/07/1069175107.db2.gz LISPMQNYPPCNJA-KGLIPLIRSA-N 1 1 466.430 4.042 20 0 JIADMO COc1ccccc1CN(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300598128 1069178140 /nfs/dbraw/zinc/17/81/40/1069178140.db2.gz GLVMCLUARWHZIU-QFIPXVFZSA-N 1 1 462.642 4.277 20 0 JIADMO CCCCOCCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)c1ccc(Br)cc1 ZINC000849548569 1069188249 /nfs/dbraw/zinc/18/82/49/1069188249.db2.gz NAJPFBJSLZGHMM-YADHBBJMSA-N 1 1 477.447 4.068 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849549981 1069190913 /nfs/dbraw/zinc/19/09/13/1069190913.db2.gz XDKRAEVQIVCMAV-NHCUHLMSSA-N 1 1 460.504 4.077 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCc2ccc(Br)cc2Oc2ccccc2)cn1 ZINC000849550511 1069192566 /nfs/dbraw/zinc/19/25/66/1069192566.db2.gz XZNFTYUETWWTPT-FGZHOGPDSA-N 1 1 483.410 4.327 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849553229 1069195783 /nfs/dbraw/zinc/19/57/83/1069195783.db2.gz QJEVOAHAIIAFCQ-YADHBBJMSA-N 1 1 473.459 4.187 20 0 JIADMO Cc1cc([C@H](NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c2ccccc2Cl)ccc1F ZINC000849554373 1069196998 /nfs/dbraw/zinc/19/69/98/1069196998.db2.gz MNGVJUHOUBFICE-ZYKOEDHHSA-N 1 1 454.977 4.462 20 0 JIADMO Cc1sc(CCNC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)nc1-c1ccccc1 ZINC000849555463 1069199766 /nfs/dbraw/zinc/19/97/66/1069199766.db2.gz YZHXMIDRGDDABG-VXKWHMMOSA-N 1 1 451.640 4.025 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)cn1 ZINC000849554851 1069200361 /nfs/dbraw/zinc/20/03/61/1069200361.db2.gz WMTKWQSQDXKCSQ-CABCVRRESA-N 1 1 462.488 4.470 20 0 JIADMO Cc1ccc(NC(=O)C2(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)CCCC2)cc1C ZINC000849557733 1069205888 /nfs/dbraw/zinc/20/58/88/1069205888.db2.gz ITFVXJZEFGEYNT-DQEYMECFSA-N 1 1 479.669 4.166 20 0 JIADMO COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849560959 1069210016 /nfs/dbraw/zinc/21/00/16/1069210016.db2.gz CLABSGLRVNVNHK-ZEQRLZLVSA-N 1 1 490.604 4.238 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849560512 1069210451 /nfs/dbraw/zinc/21/04/51/1069210451.db2.gz BEYSFKAEQFQCNL-AABGKKOBSA-N 1 1 465.425 4.221 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc3cccc(Br)c3n2)[C@H](c2cnn(C)c2)C1 ZINC000849563116 1069211967 /nfs/dbraw/zinc/21/19/67/1069211967.db2.gz PCEMWRHEHPLASM-MSOLQXFVSA-N 1 1 456.388 4.183 20 0 JIADMO 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 ZINC000849564729 1069215090 /nfs/dbraw/zinc/21/50/90/1069215090.db2.gz QJEZJUATRATDKE-SZMVWBNQSA-N 1 1 469.577 4.116 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC(C)(C)c2ccccc2Br)[C@@H](c2cnn(C)c2)C1 ZINC000849564789 1069215480 /nfs/dbraw/zinc/21/54/80/1069215480.db2.gz RCFHIJKDMZJVFI-RTBURBONSA-N 1 1 461.448 4.091 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(Cl)nc2)CC1 ZINC001300611045 1069217700 /nfs/dbraw/zinc/21/77/00/1069217700.db2.gz WSYDNWCCCBURKR-UHFFFAOYSA-N 1 1 455.006 4.003 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cn1 ZINC000849569634 1069221018 /nfs/dbraw/zinc/22/10/18/1069221018.db2.gz VDOGHCUPGCTJCI-UONOGXRCSA-N 1 1 465.303 4.342 20 0 JIADMO CCc1noc(-c2ccc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)c(Cl)c2)n1 ZINC000849571877 1069223524 /nfs/dbraw/zinc/22/35/24/1069223524.db2.gz JBENINGBMIWTDP-ROUUACIJSA-N 1 1 456.978 4.139 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCc2cccc(OCc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849573919 1069225267 /nfs/dbraw/zinc/22/52/67/1069225267.db2.gz VBWBCNMWNZFDHA-KAYWLYCHSA-N 1 1 460.622 4.172 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@@H]2OC)CC1 ZINC001300614565 1069225566 /nfs/dbraw/zinc/22/55/66/1069225566.db2.gz FFVFARGRPMBHJU-GGAORHGYSA-N 1 1 455.647 4.013 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)SC)CC1 ZINC001300614495 1069225597 /nfs/dbraw/zinc/22/55/97/1069225597.db2.gz CSHICRUTBPVCCV-KJXAQDMKSA-N 1 1 487.714 4.279 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cn1 ZINC000849576315 1069228586 /nfs/dbraw/zinc/22/85/86/1069228586.db2.gz CLPLRJXGTBXYOI-VQTJNVASSA-N 1 1 469.948 4.139 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCC2(OC)CCC2)CC1 ZINC001300615585 1069229231 /nfs/dbraw/zinc/22/92/31/1069229231.db2.gz VUXQRRIQYOPHLV-UHFFFAOYSA-N 1 1 455.647 4.157 20 0 JIADMO 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JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC(C)(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849584704 1069235527 /nfs/dbraw/zinc/23/55/27/1069235527.db2.gz ZKIMLHLRQZEREJ-NHCUHLMSSA-N 1 1 450.549 4.390 20 0 JIADMO CCOC(=O)CC(C)(C)CC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC001354461886 1069237059 /nfs/dbraw/zinc/23/70/59/1069237059.db2.gz AQWUGEGDOAZOLS-UHFFFAOYSA-N 1 1 451.611 4.312 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)[C@H](c2cnn(C)c2)C1 ZINC000849587988 1069239168 /nfs/dbraw/zinc/23/91/68/1069239168.db2.gz KIRZODHFNVEGOQ-MOPGFXCFSA-N 1 1 455.509 4.338 20 0 JIADMO COc1cc(OC)cc(Oc2ccc(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)c1 ZINC000849588058 1069239699 /nfs/dbraw/zinc/23/96/99/1069239699.db2.gz OXKPIOUFPZAGGW-SVBPBHIXSA-N 1 1 492.620 4.360 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849589407 1069241129 /nfs/dbraw/zinc/24/11/29/1069241129.db2.gz RCTXWZBCIGUABP-VABKMULXSA-N 1 1 488.474 4.100 20 0 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Cc1nc(C[N@H+]2CCCC23CCN([C@@](F)(COc2cncc(Cl)n2)C(F)F)CC3)cs1 ZINC001164691533 719814352 /nfs/dbraw/zinc/81/43/52/719814352.db2.gz GISFDAZFISITHP-FQEVSTJZSA-N 1 1 475.968 4.335 20 0 JIADMO NC(=O)c1ccc(-c2cnc3n2CCC32CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)cc1 ZINC001164698302 719830074 /nfs/dbraw/zinc/83/00/74/719830074.db2.gz TWOJHGMEIPHEGT-UHFFFAOYSA-N 1 1 491.039 4.235 20 0 JIADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2F)nc2ccc(Cl)cc21 ZINC001164701375 719847759 /nfs/dbraw/zinc/84/77/59/719847759.db2.gz MAMMWFGDVDCRQE-HFJWLAOPSA-N 1 1 498.986 4.322 20 0 JIADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC001164703400 719858973 /nfs/dbraw/zinc/85/89/73/719858973.db2.gz PRAJRLRYFWPCFJ-FQRUVTKNSA-N 1 1 498.986 4.322 20 0 JIADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC001164703512 719859182 /nfs/dbraw/zinc/85/91/82/719859182.db2.gz QCZURVKBNAGWSM-FNZWTVRRSA-N 1 1 480.996 4.183 20 0 JIADMO COc1ccc(CN(C)c2ccnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)cc1 ZINC001164706896 719904485 /nfs/dbraw/zinc/90/44/85/719904485.db2.gz LLHNFSRKMOSCDP-UHFFFAOYSA-N 1 1 479.650 4.055 20 0 JIADMO CCO[C@@H]1CN(c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)[C@H]2CCCO[C@H]12 ZINC001164713622 720064009 /nfs/dbraw/zinc/06/40/09/720064009.db2.gz NWDWKNHKKAGGRM-YYDVJCTNSA-N 1 1 456.656 4.185 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cccc(F)c31)CC2 ZINC001164719544 720110763 /nfs/dbraw/zinc/11/07/63/720110763.db2.gz YTICTPYBGRLXNE-SFHVURJKSA-N 1 1 455.965 4.325 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CC2 ZINC001164711743 720128558 /nfs/dbraw/zinc/12/85/58/720128558.db2.gz JEXHUWMWGHOQHG-HXUWFJFHSA-N 1 1 498.990 4.359 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164714069 720134639 /nfs/dbraw/zinc/13/46/39/720134639.db2.gz VWZHPYMYACSHLE-JOCHJYFZSA-N 1 1 463.557 4.311 20 0 JIADMO CCc1cc2c(nc(Cl)nc2N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)[nH]1 ZINC001164713525 720136936 /nfs/dbraw/zinc/13/69/36/720136936.db2.gz RHFIDICVIUEQBA-IBGZPJMESA-N 1 1 455.006 4.076 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3cccc(OC)c3)nn1)CC2 ZINC001164713970 720142108 /nfs/dbraw/zinc/14/21/08/720142108.db2.gz UNYFSWIIAHXGSJ-QHCPKHFHSA-N 1 1 459.594 4.055 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)CC2 ZINC001164712241 720144759 /nfs/dbraw/zinc/14/47/59/720144759.db2.gz LQWWVRALCGPAQE-QHCPKHFHSA-N 1 1 498.071 4.264 20 0 JIADMO CCc1nc(Cl)nc(Cl)c1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164711362 720155382 /nfs/dbraw/zinc/15/53/82/720155382.db2.gz BDMYHOGCUXUJQL-QGZVFWFLSA-N 1 1 450.414 4.248 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164817790 720168313 /nfs/dbraw/zinc/16/83/13/720168313.db2.gz QFWUGDDCAYONRY-PIKZIKFNSA-N 1 1 495.737 4.351 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1c(C)c(C)n3Cc1ccccc1)C2 ZINC001164819136 720168480 /nfs/dbraw/zinc/16/84/80/720168480.db2.gz WGSAFQHJMQKUQF-CUBQBAPOSA-N 1 1 459.638 4.281 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3cc(OC)ccc3n1)C2 ZINC001164812452 720176068 /nfs/dbraw/zinc/17/60/68/720176068.db2.gz ASLQXHRHPRVPHF-ZHRRBRCNSA-N 1 1 466.960 4.021 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nnc(-c3ccc(F)c(F)c3)c3ccccc31)CCC2 ZINC001164814504 720237331 /nfs/dbraw/zinc/23/73/31/720237331.db2.gz VZUCZGAPFQGAOE-UHFFFAOYSA-N 1 1 490.558 4.382 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4c3ccn4Cc3cccc(F)c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838020 720554472 /nfs/dbraw/zinc/55/44/72/720554472.db2.gz NIRHQFJNLTZQKP-UMXIMWEHSA-N 1 1 473.600 4.193 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc4cnc(Cl)nc4c3)CC[C@@H]21 ZINC001164839685 720563857 /nfs/dbraw/zinc/56/38/57/720563857.db2.gz RKHQQPQWSTZRAV-CUWPLCDZSA-N 1 1 460.960 4.402 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4cccnc4)nc4ccccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842826 720600358 /nfs/dbraw/zinc/60/03/58/720600358.db2.gz VTJKQOHNANZQDB-OTNCWRBYSA-N 1 1 453.594 4.266 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843119 720615093 /nfs/dbraw/zinc/61/50/93/720615093.db2.gz WKMWKEBSVQYEDJ-WSTZPKSXSA-N 1 1 487.986 4.311 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3)CC[C@@H]21 ZINC001164843128 720642590 /nfs/dbraw/zinc/64/25/90/720642590.db2.gz WNFYDKKYPOTIAM-DYXWJJEUSA-N 1 1 452.990 4.497 20 0 JIADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001164841092 720689529 /nfs/dbraw/zinc/68/95/29/720689529.db2.gz HQPJDGLNFQPJIM-HXUWFJFHSA-N 1 1 458.002 4.480 20 0 JIADMO C[C@H]1CCCN(C(=O)c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc2)C1 ZINC001164841031 720711855 /nfs/dbraw/zinc/71/18/55/720711855.db2.gz UJJBWRQWEFXKNP-WIOPSUGQSA-N 1 1 462.638 4.214 20 0 JIADMO COc1ccc(OC)c(-c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)c1 ZINC001164840350 720717838 /nfs/dbraw/zinc/71/78/38/720717838.db2.gz PXBBCMLOGPLAPR-QFIPXVFZSA-N 1 1 474.605 4.421 20 0 JIADMO Fc1ccc(-c2nc3cc(Cl)ccc3c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164737852 720718440 /nfs/dbraw/zinc/71/84/40/720718440.db2.gz HJQDFGCKKAAMAV-WOJBJXKFSA-N 1 1 476.943 4.221 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)CC2 ZINC001164838995 720719848 /nfs/dbraw/zinc/71/98/48/720719848.db2.gz JZEYMVBUAOBJPN-HHHXNRCGSA-N 1 1 498.675 4.063 20 0 JIADMO CC[C@@H]1N(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)CCC[C@]12CCC(=O)N2 ZINC001164846489 720755144 /nfs/dbraw/zinc/75/51/44/720755144.db2.gz JFBVXJLSGHLCQK-SZCFDOLESA-N 1 1 467.683 4.440 20 0 JIADMO Fc1ccc(-c2nnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c3ccccc32)cc1 ZINC001164742946 720847779 /nfs/dbraw/zinc/84/77/79/720847779.db2.gz HLCPHUCRKYLXCE-POGFHVCPSA-N 1 1 483.595 4.407 20 0 JIADMO Fc1ccc(-c2nnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c3ccccc32)cc1 ZINC001164742949 720847949 /nfs/dbraw/zinc/84/79/49/720847949.db2.gz HLCPHUCRKYLXCE-WHSBFGAESA-N 1 1 483.595 4.407 20 0 JIADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(-c5cccc6ccccc65)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746176 720852053 /nfs/dbraw/zinc/85/20/53/720852053.db2.gz GGDRPSIYEWIJNH-QSEAXJEQSA-N 1 1 465.605 4.268 20 0 JIADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164749900 720852119 /nfs/dbraw/zinc/85/21/19/720852119.db2.gz OMPNGTUBBSAFBU-KJXAQDMKSA-N 1 1 499.997 4.313 20 0 JIADMO c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(-c5cccc6ccccc65)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746179 720852420 /nfs/dbraw/zinc/85/24/20/720852420.db2.gz GGDRPSIYEWIJNH-VMODYCNZSA-N 1 1 465.605 4.268 20 0 JIADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164752700 720858086 /nfs/dbraw/zinc/85/80/86/720858086.db2.gz UHYXEZWIGXEYEQ-QNWVGRARSA-N 1 1 494.043 4.456 20 0 JIADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001164753594 720858859 /nfs/dbraw/zinc/85/88/59/720858859.db2.gz YLWJQWLAECOAMA-QNWVGRARSA-N 1 1 494.043 4.456 20 0 JIADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001164753595 720859936 /nfs/dbraw/zinc/85/99/36/720859936.db2.gz YLWJQWLAECOAMA-QZNHQXDQSA-N 1 1 494.043 4.456 20 0 JIADMO FC(F)(c1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747815 720870256 /nfs/dbraw/zinc/87/02/56/720870256.db2.gz BVNLQZGSOKXQCM-FYYLOGMGSA-N 1 1 462.972 4.430 20 0 JIADMO FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747800 720871954 /nfs/dbraw/zinc/87/19/54/720871954.db2.gz BRIPXNCLNYNQHL-PGRDOPGGSA-N 1 1 498.405 4.478 20 0 JIADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753509 720872802 /nfs/dbraw/zinc/87/28/02/720872802.db2.gz PVYOXDWDOZHQOR-AJTFRIOCSA-N 1 1 499.055 4.370 20 0 JIADMO Clc1nnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ccccc12 ZINC001164748516 720875593 /nfs/dbraw/zinc/87/55/93/720875593.db2.gz FRCMKSMEILXVLQ-LVXARBLLSA-N 1 1 464.013 4.433 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4cc(-c5ccc(Cl)cc5)sc43)CC[C@H]2C1 ZINC001164862958 720875658 /nfs/dbraw/zinc/87/56/58/720875658.db2.gz SEJXIPWBOJSZQE-FXAWDEMLSA-N 1 1 459.015 4.185 20 0 JIADMO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CSCC2 ZINC001164748025 720876380 /nfs/dbraw/zinc/87/63/80/720876380.db2.gz DIPMRBPJHPGTJO-NLFFAJNJSA-N 1 1 486.085 4.069 20 0 JIADMO FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753856 720879202 /nfs/dbraw/zinc/87/92/02/720879202.db2.gz QEHNDYWLSXYMMN-PGRDOPGGSA-N 1 1 498.405 4.478 20 0 JIADMO Clc1nnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2sccc21 ZINC001164754084 720879850 /nfs/dbraw/zinc/87/98/50/720879850.db2.gz QZWGMWOSDOHEEZ-DVECYGJZSA-N 1 1 470.042 4.495 20 0 JIADMO FC(F)(Oc1cccc(Cl)n1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753326 720881655 /nfs/dbraw/zinc/88/16/55/720881655.db2.gz OZWQYCQVMMKKKT-OFNKIYASSA-N 1 1 478.971 4.310 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(C4CC4)nc4scc(-c5ccccc5)c43)CC[C@@H]2C1 ZINC001164857590 720881745 /nfs/dbraw/zinc/88/17/45/720881745.db2.gz KASKSPXAKCAHJD-IFMALSPDSA-N 1 1 464.635 4.409 20 0 JIADMO CCOC(=O)c1c(C)cc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755051 720882618 /nfs/dbraw/zinc/88/26/18/720882618.db2.gz KLDMUOHGAGNSTL-AMGIVPHBSA-N 1 1 499.055 4.370 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)CC[C@@H]2C1 ZINC001164862187 720883992 /nfs/dbraw/zinc/88/39/92/720883992.db2.gz RDWJNNSSCKUDSO-DYESRHJHSA-N 1 1 469.935 4.260 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)CC[C@@H]2C1 ZINC001164863606 720883998 /nfs/dbraw/zinc/88/39/98/720883998.db2.gz SQOVRTFODOVFLF-IERDGZPVSA-N 1 1 469.935 4.260 20 0 JIADMO Clc1ccc2ncc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164758885 720886274 /nfs/dbraw/zinc/88/62/74/720886274.db2.gz ZZUQHWBVEGEDEX-HFZDXXHNSA-N 1 1 464.013 4.433 20 0 JIADMO Clc1ccc2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc2n1 ZINC001164754352 720892771 /nfs/dbraw/zinc/89/27/71/720892771.db2.gz INZNOPVMXZHNOI-ATIYNZHBSA-N 1 1 464.013 4.433 20 0 JIADMO c1ccc2c(c1)[nH]c1ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164756569 720894129 /nfs/dbraw/zinc/89/41/29/720894129.db2.gz QIVXOTZKYNZNKO-RBISFHTESA-N 1 1 468.605 4.261 20 0 JIADMO Clc1ccnc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc12 ZINC001164757803 720895088 /nfs/dbraw/zinc/89/50/88/720895088.db2.gz VQWXCCMHQIPGHW-HFZDXXHNSA-N 1 1 464.013 4.433 20 0 JIADMO CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758142 720899277 /nfs/dbraw/zinc/89/92/77/720899277.db2.gz XCGYUJORMXZTCC-RLWLMLJZSA-N 1 1 496.059 4.211 20 0 JIADMO CC(C)n1ccc2c1ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754386 720903945 /nfs/dbraw/zinc/90/39/45/720903945.db2.gz ITNAJAFKVVMDBF-KCWPFWIISA-N 1 1 460.626 4.162 20 0 JIADMO CSc1cnc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755240 720905681 /nfs/dbraw/zinc/90/56/81/720905681.db2.gz ZXMJJGDIVBXMEM-CVDCTZTESA-N 1 1 460.047 4.002 20 0 JIADMO c1ccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c(N3CCCC3)nc2c1 ZINC001164752781 720907065 /nfs/dbraw/zinc/90/70/65/720907065.db2.gz OTEZVECSZRBXOB-FYBSXPHGSA-N 1 1 498.675 4.380 20 0 JIADMO Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)nn1 ZINC001164749054 720912958 /nfs/dbraw/zinc/91/29/58/720912958.db2.gz HMYRCJGVKGELGL-OFNKIYASSA-N 1 1 477.987 4.133 20 0 JIADMO COc1ccccc1-c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164748484 720917135 /nfs/dbraw/zinc/91/71/35/720917135.db2.gz GFKQBGFQKNLVFL-OUTSHDOLSA-N 1 1 485.632 4.302 20 0 JIADMO COC(=O)c1cc2ccccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748068 720917217 /nfs/dbraw/zinc/91/72/17/720917217.db2.gz FMCLANLOPUPFDG-GIGWZHCTSA-N 1 1 486.616 4.172 20 0 JIADMO CCc1nc2sccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753123 720927030 /nfs/dbraw/zinc/92/70/30/720927030.db2.gz QFJVUXBOGTVYDV-RLWLMLJZSA-N 1 1 463.651 4.404 20 0 JIADMO NC(=S)c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2sccc21 ZINC001164748534 720937485 /nfs/dbraw/zinc/93/74/85/720937485.db2.gz GTUVPIMKPIUFPT-FQRUVTKNSA-N 1 1 493.702 4.081 20 0 JIADMO c1cc2c(nc(C3CCC3)nc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164749179 720940182 /nfs/dbraw/zinc/94/01/82/720940182.db2.gz IFDKNNWVBFPVLF-FIPFOOKPSA-N 1 1 472.637 4.376 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3Cc4cncn4C[C@H](COCC4CC4)C3)c2c1C ZINC001164758918 720980957 /nfs/dbraw/zinc/98/09/57/720980957.db2.gz WWMSIMRPXOQZRY-HXUWFJFHSA-N 1 1 466.655 4.163 20 0 JIADMO COc1cccc(-c2cc(C(F)(F)N3CCc4[nH+]cc(Cn5cccn5)n4CC3)cnc2Cl)c1 ZINC001164862630 721034373 /nfs/dbraw/zinc/03/43/73/721034373.db2.gz NGHLULHJPLEPLI-UHFFFAOYSA-N 1 1 484.938 4.460 20 0 JIADMO CCn1nnc2c1CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@@H]2COCc1ccccc1 ZINC001164770264 721048522 /nfs/dbraw/zinc/04/85/22/721048522.db2.gz KICPYULVCIEJER-JOCHJYFZSA-N 1 1 467.017 4.263 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@H]3CC(=O)N4Cc3cccc(C)n3)c2c1C ZINC001164773556 721054453 /nfs/dbraw/zinc/05/44/53/721054453.db2.gz SERQYEGKGWGALU-FGZHOGPDSA-N 1 1 490.677 4.377 20 0 JIADMO Cc1ccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164864731 721110203 /nfs/dbraw/zinc/11/02/03/721110203.db2.gz GPNBRGAOVLANFL-DNQXCXABSA-N 1 1 451.574 4.480 20 0 JIADMO Cc1ccc2nc(-c3ccccc3F)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164773262 721154276 /nfs/dbraw/zinc/15/42/76/721154276.db2.gz XPBLABBCWQIXFY-LEWJYISDSA-N 1 1 456.569 4.436 20 0 JIADMO Cc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164877572 721177856 /nfs/dbraw/zinc/17/78/56/721177856.db2.gz OQWMZWHQOKJSCG-ZEQRLZLVSA-N 1 1 464.013 4.212 20 0 JIADMO c1ccc(COc2ccc3c(c2)ncnc3N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164873566 721182518 /nfs/dbraw/zinc/18/25/18/721182518.db2.gz IPZBJBZQZPERHO-NOZRDPDXSA-N 1 1 467.573 4.084 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)C[C@H]3C2)cn1 ZINC001164762721 721226508 /nfs/dbraw/zinc/22/65/08/721226508.db2.gz DLMQCOGAENPIKM-RTBURBONSA-N 1 1 458.944 4.034 20 0 JIADMO CCN1C(C)=N[C@@]2(CC[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]32)C1=O ZINC001164872609 721232218 /nfs/dbraw/zinc/23/22/18/721232218.db2.gz NEMACMKFISBBIY-GGZJYHEGSA-N 1 1 492.693 4.031 20 0 JIADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC5CC4(C(=O)N4CCCC4)C5)c32)C1 ZINC001164870625 721237984 /nfs/dbraw/zinc/23/79/84/721237984.db2.gz AEERRHCUMWLZDA-SIYOEGHHSA-N 1 1 479.694 4.393 20 0 JIADMO COc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164760203 721246989 /nfs/dbraw/zinc/24/69/89/721246989.db2.gz DCVOQCPEJSVQAE-MOPGFXCFSA-N 1 1 488.970 4.042 20 0 JIADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164760424 721246995 /nfs/dbraw/zinc/24/69/95/721246995.db2.gz DWGATUZEXYNADY-WOJBJXKFSA-N 1 1 472.971 4.342 20 0 JIADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164760422 721247701 /nfs/dbraw/zinc/24/77/01/721247701.db2.gz DWGATUZEXYNADY-VQTJNVASSA-N 1 1 472.971 4.342 20 0 JIADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164768919 721247720 /nfs/dbraw/zinc/24/77/20/721247720.db2.gz YMZBXXYMARHSSR-WOJBJXKFSA-N 1 1 472.971 4.342 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2Cc3cncn3C[C@@H](COc3cccnc3)C2)n1 ZINC001164766304 721275273 /nfs/dbraw/zinc/27/52/73/721275273.db2.gz CJILLNORNBBVQL-FQEVSTJZSA-N 1 1 491.665 4.457 20 0 JIADMO CCN1CC[C@]2(CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CC[C@H](C)C5)C[C@@H]2C)C1=O ZINC001164778373 721320811 /nfs/dbraw/zinc/32/08/11/721320811.db2.gz PRYNSXFLOUNDBM-RWYJCYHVSA-N 1 1 481.710 4.497 20 0 JIADMO CCN1CC[C@@]2(CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2C)C1=O ZINC001164778310 721320900 /nfs/dbraw/zinc/32/09/00/721320900.db2.gz OYRQJBGPXVPHAG-QYBDOPJKSA-N 1 1 467.683 4.251 20 0 JIADMO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001164876386 721326684 /nfs/dbraw/zinc/32/66/84/721326684.db2.gz GSQNFXJOSRQNOT-UHFFFAOYSA-N 1 1 478.927 4.368 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)n3)C2)C1 ZINC001164778873 721334591 /nfs/dbraw/zinc/33/45/91/721334591.db2.gz ZPIYBYRELFMLLQ-LJQANCHMSA-N 1 1 476.355 4.052 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)n3)C2)C1 ZINC001164778873 721334598 /nfs/dbraw/zinc/33/45/98/721334598.db2.gz ZPIYBYRELFMLLQ-LJQANCHMSA-N 1 1 476.355 4.052 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)n1 ZINC001164883823 721351335 /nfs/dbraw/zinc/35/13/35/721351335.db2.gz MKFJCTIDJLQUMG-FCHUYYIVSA-N 1 1 493.677 4.127 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3ccn4C3CCCC3)C2)C1 ZINC001164779510 721353891 /nfs/dbraw/zinc/35/38/91/721353891.db2.gz UMODKVNFZNLOSW-SANMLTNESA-N 1 1 464.614 4.270 20 0 JIADMO CCOC(=O)c1cc2ccccc2nc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164782270 721357622 /nfs/dbraw/zinc/35/76/22/721357622.db2.gz LZTMRDDVWQONJJ-MHZLTWQESA-N 1 1 478.593 4.135 20 0 JIADMO CCOC(=O)c1cc2ccccc2nc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164782270 721357626 /nfs/dbraw/zinc/35/76/26/721357626.db2.gz LZTMRDDVWQONJJ-MHZLTWQESA-N 1 1 478.593 4.135 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3N3CCCCC3)C2)C1 ZINC001164785320 721364284 /nfs/dbraw/zinc/36/42/84/721364284.db2.gz ULFCOEREYVHRJE-NDEPHWFRSA-N 1 1 490.652 4.344 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3N3CCCCC3)C2)C1 ZINC001164785320 721364289 /nfs/dbraw/zinc/36/42/89/721364289.db2.gz ULFCOEREYVHRJE-NDEPHWFRSA-N 1 1 490.652 4.344 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C(C)(C)C)nc(Cl)c3C)C2)C1 ZINC001164785301 721365233 /nfs/dbraw/zinc/36/52/33/721365233.db2.gz UGFOBADVQUEMRZ-XMMPIXPASA-N 1 1 462.038 4.460 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C(C)(C)C)nc(Cl)c3C)C2)C1 ZINC001164785301 721365237 /nfs/dbraw/zinc/36/52/37/721365237.db2.gz UGFOBADVQUEMRZ-XMMPIXPASA-N 1 1 462.038 4.460 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C(F)F)nc4ccccc43)C2)C1 ZINC001164782279 721368384 /nfs/dbraw/zinc/36/83/84/721368384.db2.gz MEKXRTMNAYGYBH-DEOSSOPVSA-N 1 1 457.525 4.291 20 0 JIADMO CCc1ccc(-c2ccc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nn2)cc1 ZINC001164782964 721369857 /nfs/dbraw/zinc/36/98/57/721369857.db2.gz OHQAWVVATIPZSE-MHZLTWQESA-N 1 1 461.610 4.430 20 0 JIADMO CCc1ccc(-c2ccc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nn2)cc1 ZINC001164782964 721369860 /nfs/dbraw/zinc/36/98/60/721369860.db2.gz OHQAWVVATIPZSE-MHZLTWQESA-N 1 1 461.610 4.430 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4cccc(F)c4)nn3)C2)C1 ZINC001164786060 721370118 /nfs/dbraw/zinc/37/01/18/721370118.db2.gz VIHVEBHUGXPDNB-VWLOTQADSA-N 1 1 451.546 4.007 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4cccc(F)c4)nn3)C2)C1 ZINC001164786060 721370122 /nfs/dbraw/zinc/37/01/22/721370122.db2.gz VIHVEBHUGXPDNB-VWLOTQADSA-N 1 1 451.546 4.007 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nc(Cl)nc3C3CC3)C2)C1 ZINC001164781811 721375534 /nfs/dbraw/zinc/37/55/34/721375534.db2.gz KJXXSJRUONSNJQ-QFIPXVFZSA-N 1 1 466.413 4.385 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nc(Cl)nc3C3CC3)C2)C1 ZINC001164781811 721375541 /nfs/dbraw/zinc/37/55/41/721375541.db2.gz KJXXSJRUONSNJQ-QFIPXVFZSA-N 1 1 466.413 4.385 20 0 JIADMO Cc1ccc(-c2csc3ncnc(N4CC[C@@]5(C4)CCC[C@H](CN4CC[NH+](C)CC4)O5)c23)cc1 ZINC001164883503 721403962 /nfs/dbraw/zinc/40/39/62/721403962.db2.gz AHIJWSYBGQEYSY-AJTFRIOCSA-N 1 1 477.678 4.432 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C3)O2)CC1 ZINC001164889420 721405159 /nfs/dbraw/zinc/40/51/59/721405159.db2.gz QGRPFOQZHYPNNZ-NFBKMPQASA-N 1 1 464.988 4.199 20 0 JIADMO C[Si](C)(C)CCOCn1ccc2c1nc(Cl)nc2N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164783242 721418447 /nfs/dbraw/zinc/41/84/47/721418447.db2.gz HOEVJGNELPVBES-IRXDYDNUSA-N 1 1 491.137 4.422 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc5ccccc5nc4Cl)C3)O2)CC1 ZINC001164887672 721423795 /nfs/dbraw/zinc/42/37/95/721423795.db2.gz LZPJIUGSNVSALN-WMZHIEFXSA-N 1 1 464.988 4.199 20 0 JIADMO CC1CCN(Cc2nc3sc4c(c3c(N3C[C@@H]5C[N@@H+](Cc6nccs6)C[C@@H]5C3)n2)CCC4)CC1 ZINC001164787397 721426455 /nfs/dbraw/zinc/42/64/55/721426455.db2.gz QTLGESODPWMILL-KDURUIRLSA-N 1 1 494.734 4.437 20 0 JIADMO CC1CCN(Cc2nc3sc4c(c3c(N3C[C@@H]5C[N@H+](Cc6nccs6)C[C@@H]5C3)n2)CCC4)CC1 ZINC001164787397 721426459 /nfs/dbraw/zinc/42/64/59/721426459.db2.gz QTLGESODPWMILL-KDURUIRLSA-N 1 1 494.734 4.437 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(-c5cccs5)nnc4Cl)C3)O2)CC1 ZINC001164895760 721436185 /nfs/dbraw/zinc/43/61/85/721436185.db2.gz PGUWSDHUKSXSKX-HTAPYJJXSA-N 1 1 498.043 4.169 20 0 JIADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164780861 721437909 /nfs/dbraw/zinc/43/79/09/721437909.db2.gz AVNNSLHSUZKZFA-CALCHBBNSA-N 1 1 476.009 4.279 20 0 JIADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164780861 721437911 /nfs/dbraw/zinc/43/79/11/721437911.db2.gz AVNNSLHSUZKZFA-CALCHBBNSA-N 1 1 476.009 4.279 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3ncn(C)c3[C@H]2COCc2cccnc2)nc1 ZINC001164781539 721442362 /nfs/dbraw/zinc/44/23/62/721442362.db2.gz GEFSVPJSLOMCFP-LOSJGSFVSA-N 1 1 460.626 4.468 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CCCCC3)CC2 ZINC001164784690 721459046 /nfs/dbraw/zinc/45/90/46/721459046.db2.gz JNLPGIDXUUDXBK-HXUWFJFHSA-N 1 1 463.066 4.133 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164786660 721459065 /nfs/dbraw/zinc/45/90/65/721459065.db2.gz PAHCMJDYKYQILR-QGZVFWFLSA-N 1 1 461.956 4.153 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3cccc(C)c31)CC2 ZINC001164786470 721463682 /nfs/dbraw/zinc/46/36/82/721463682.db2.gz OFBICUCVPOQLFJ-HXUWFJFHSA-N 1 1 459.034 4.326 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001164785781 721464577 /nfs/dbraw/zinc/46/45/77/721464577.db2.gz NLAMXHHEKJYTHY-QGZVFWFLSA-N 1 1 493.426 4.148 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(-c3cccc(F)c3)nn1)CC2 ZINC001164791850 721469128 /nfs/dbraw/zinc/46/91/28/721469128.db2.gz ZWYHMHWPODABSU-HSZRJFAPSA-N 1 1 454.590 4.017 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(-c3ccncc3)nc3sccc31)CC2 ZINC001164790133 721470899 /nfs/dbraw/zinc/47/08/99/721470899.db2.gz RQQKYLFVNVOMOX-JOCHJYFZSA-N 1 1 493.677 4.487 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164787972 721471643 /nfs/dbraw/zinc/47/16/43/721471643.db2.gz HGRUGJPGSHPIOX-FQEVSTJZSA-N 1 1 460.619 4.078 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164788322 721473481 /nfs/dbraw/zinc/47/34/81/721473481.db2.gz IZLDIBRUVQAOKL-GOSISDBHSA-N 1 1 469.457 4.395 20 0 JIADMO CCOC[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)Cc2cnn(C)c21 ZINC001164793732 721477711 /nfs/dbraw/zinc/47/77/11/721477711.db2.gz YHNHMBRHBRSRAM-SFHVURJKSA-N 1 1 466.655 4.040 20 0 JIADMO CCOC[C@H]1CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)Cc2cnn(C)c21 ZINC001164792719 721478042 /nfs/dbraw/zinc/47/80/42/721478042.db2.gz PDDGQMYYZVYMRX-LJQANCHMSA-N 1 1 462.623 4.294 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)n1 ZINC001164896034 721505399 /nfs/dbraw/zinc/50/53/99/721505399.db2.gz GSMIQYLBZCITLN-NRFANRHFSA-N 1 1 498.656 4.458 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)[C@H]2CCCO[C@H]12 ZINC001164799097 721551644 /nfs/dbraw/zinc/55/16/44/721551644.db2.gz ASGRFVHFRMGERC-ZCNNSNEGSA-N 1 1 477.918 4.230 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)[C@H]2CCCO[C@H]12 ZINC001164799097 721551648 /nfs/dbraw/zinc/55/16/48/721551648.db2.gz ASGRFVHFRMGERC-ZCNNSNEGSA-N 1 1 477.918 4.230 20 0 JIADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC5(C[C@@H]5C(=O)N(C)C)CC4)c32)C1 ZINC001164900906 721570556 /nfs/dbraw/zinc/57/05/56/721570556.db2.gz AZMBKQGUIFSOHP-AZUAARDMSA-N 1 1 481.710 4.497 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)[C@H]2CCCO[C@H]12 ZINC001164800918 721575598 /nfs/dbraw/zinc/57/55/98/721575598.db2.gz FXOWEIBMOOJTMY-JQVVWYNYSA-N 1 1 486.954 4.000 20 0 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4.100 20 0 JIADMO COc1ccc2nc(C(F)(F)N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc(Cl)c2c1 ZINC001164802619 721581730 /nfs/dbraw/zinc/58/17/30/721581730.db2.gz HEPGXIRTOOKSFM-QHAWAJNXSA-N 1 1 489.954 4.100 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nnc(Cl)c2N2CCCCC2)[C@H]2CCCO[C@@H]12 ZINC001164799255 721592199 /nfs/dbraw/zinc/59/21/99/721592199.db2.gz ACCAKAVVQUPUIE-WAOWUJCRSA-N 1 1 477.440 4.037 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(Cl)nnc(Cl)c2N2CCCCC2)[C@H]2CCCO[C@@H]12 ZINC001164799255 721592202 /nfs/dbraw/zinc/59/22/02/721592202.db2.gz ACCAKAVVQUPUIE-WAOWUJCRSA-N 1 1 477.440 4.037 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCn3cnc(COCC4CC4)c3C2)n1 ZINC001164798325 721600151 /nfs/dbraw/zinc/60/01/51/721600151.db2.gz DNANSNJQXDNJAN-UHFFFAOYSA-N 1 1 454.644 4.293 20 0 JIADMO COc1cccc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c21 ZINC001164906001 721708585 /nfs/dbraw/zinc/70/85/85/721708585.db2.gz JFOXIMDHSMUCBD-JOCHJYFZSA-N 1 1 459.928 4.425 20 0 JIADMO 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Cc1cccc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CCC[N@@H+]2CCCC[C@H]2C)n1 ZINC001492508631 1066334847 /nfs/dbraw/zinc/33/48/47/1066334847.db2.gz WGDOBIDDQNRKBL-NTKDMRAZSA-N 1 1 494.606 4.443 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)COc3ccc(Cl)cc3Br)C2)ccn1 ZINC001329440757 1066339200 /nfs/dbraw/zinc/33/92/00/1066339200.db2.gz FKPIZAWMBXYFTK-IBGZPJMESA-N 1 1 496.833 4.396 20 0 JIADMO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C2CCCCC2)n1 ZINC001492510464 1066341097 /nfs/dbraw/zinc/34/10/97/1066341097.db2.gz RRTQDOZCNNSINK-FQEVSTJZSA-N 1 1 483.661 4.016 20 0 JIADMO CSCCCCCCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001316454750 1066341695 /nfs/dbraw/zinc/34/16/95/1066341695.db2.gz UZIFHBHRWQLRKW-RCZVLFRGSA-N 1 1 498.741 4.247 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2ccc(C[S@@](C)=O)cc2)n1 ZINC001492512029 1066349344 /nfs/dbraw/zinc/34/93/44/1066349344.db2.gz SZALYDVXKSXUKH-PGUFJCEWSA-N 1 1 494.709 4.132 20 0 JIADMO CSCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001316460882 1066356405 /nfs/dbraw/zinc/35/64/05/1066356405.db2.gz GNMMOWDTRAHMTK-HXUWFJFHSA-N 1 1 459.708 4.303 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCC[C@H](C)C2)n1 ZINC001492514857 1066357490 /nfs/dbraw/zinc/35/74/90/1066357490.db2.gz VWWGNZBLTSPGFL-RBBKRZOGSA-N 1 1 497.688 4.122 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)CSc3ccc(Br)cc3)C2)ccn1 ZINC001331299330 1066357835 /nfs/dbraw/zinc/35/78/35/1066357835.db2.gz GAVWYLMBXDKQKD-HXUWFJFHSA-N 1 1 478.456 4.456 20 0 JIADMO 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 1066363369 /nfs/dbraw/zinc/36/33/69/1066363369.db2.gz MOGQXPWZRCEQCE-BAGYTPMASA-N 1 1 497.688 4.262 20 0 JIADMO CSCCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001316464276 1066363411 /nfs/dbraw/zinc/36/34/11/1066363411.db2.gz XDLDWDPYSHOFDH-NRFANRHFSA-N 1 1 494.750 4.456 20 0 JIADMO CN(C1CC[NH+](CCC(F)(F)F)CC1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001475384021 1066363626 /nfs/dbraw/zinc/36/36/26/1066363626.db2.gz LSFKMVDJFPVXEW-UHFFFAOYSA-N 1 1 452.848 4.396 20 0 JIADMO CSCCCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001316466351 1066369465 /nfs/dbraw/zinc/36/94/65/1066369465.db2.gz QEEXJSMFQWNVIT-MRXNPFEDSA-N 1 1 475.460 4.356 20 0 JIADMO CSCCCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001316470889 1066377274 /nfs/dbraw/zinc/37/72/74/1066377274.db2.gz PENNRHIMOZOAMN-RBUKOAKNSA-N 1 1 480.723 4.065 20 0 JIADMO CSCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001316474799 1066384269 /nfs/dbraw/zinc/38/42/69/1066384269.db2.gz NZMQSNWJIBCXPI-UHFFFAOYSA-N 1 1 469.497 4.110 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3ccc(Br)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC001333165629 1066384579 /nfs/dbraw/zinc/38/45/79/1066384579.db2.gz HTTJAUQXYIOUEV-GOTSBHOMSA-N 1 1 473.459 4.403 20 0 JIADMO Cc1cccc(-c2nnc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001492520334 1066385062 /nfs/dbraw/zinc/38/50/62/1066385062.db2.gz KUCKDKRXHMODJS-JOCHJYFZSA-N 1 1 455.006 4.220 20 0 JIADMO C[C@@H](C1CCCCC1)N(C)c1nnc(-c2cnn(C)c2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001316480582 1066395040 /nfs/dbraw/zinc/39/50/40/1066395040.db2.gz RCJWCPBSHDPDCR-IBGZPJMESA-N 1 1 453.610 4.355 20 0 JIADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCCc1ccnc(C(C)(C)C)n1 ZINC001316492492 1066431086 /nfs/dbraw/zinc/43/10/86/1066431086.db2.gz MTRAJXZSSFRWMS-OAQYLSRUSA-N 1 1 497.732 4.277 20 0 JIADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C[C@H](C)C1(F)F ZINC001316495647 1066442293 /nfs/dbraw/zinc/44/22/93/1066442293.db2.gz FPWZVFSFVHSCCQ-JQVVWYNYSA-N 1 1 475.628 4.308 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1CCCOC[C@H]1CCCO1 ZINC001316497793 1066451354 /nfs/dbraw/zinc/45/13/54/1066451354.db2.gz VBTPPDDMTRDTAL-ISKFKSNPSA-N 1 1 469.674 4.163 20 0 JIADMO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@H](C)C1(F)F ZINC001316502193 1066464147 /nfs/dbraw/zinc/46/41/47/1066464147.db2.gz XIBFZZFSMHQADZ-NSHGMRRFSA-N 1 1 465.564 4.171 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C3CCCC3)n2CCC2CC(OC(C)(C)C)C2)C[C@H](C)O1 ZINC001316502869 1066467547 /nfs/dbraw/zinc/46/75/47/1066467547.db2.gz KACYTXDURDMUSI-CVFDLSLPSA-N 1 1 461.695 4.465 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C3CCCC3)n2CCC2CC(OC(C)(C)C)C2)C[C@H](C)O1 ZINC001316502869 1066467560 /nfs/dbraw/zinc/46/75/60/1066467560.db2.gz KACYTXDURDMUSI-CVFDLSLPSA-N 1 1 461.695 4.465 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCCC(F)(F)C2)C[C@H](C)O1 ZINC001316503481 1066469216 /nfs/dbraw/zinc/46/92/16/1066469216.db2.gz QEWJJWOYOMUBPY-PLACYPQZSA-N 1 1 469.621 4.281 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCCC(F)(F)C2)C[C@H](C)O1 ZINC001316503481 1066469230 /nfs/dbraw/zinc/46/92/30/1066469230.db2.gz QEWJJWOYOMUBPY-PLACYPQZSA-N 1 1 469.621 4.281 20 0 JIADMO C[C@@H]1C[N@@H+](CC2CCN(c3nnc(C(C)(C)C)n3C[C@H](c3ccsc3)N(C)C)CC2)C[C@H](C)O1 ZINC001316503735 1066471652 /nfs/dbraw/zinc/47/16/52/1066471652.db2.gz DMZWZOUCOYKLKQ-ZRCGQRJVSA-N 1 1 488.746 4.266 20 0 JIADMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(C(C)(C)C)n3C[C@H](c3ccsc3)N(C)C)CC2)C[C@H](C)O1 ZINC001316503735 1066471664 /nfs/dbraw/zinc/47/16/64/1066471664.db2.gz DMZWZOUCOYKLKQ-ZRCGQRJVSA-N 1 1 488.746 4.266 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC2(C)CCCC2)C[C@H](C)O1 ZINC001316503814 1066471945 /nfs/dbraw/zinc/47/19/45/1066471945.db2.gz PCCXMPAVWGKBLG-CALCHBBNSA-N 1 1 479.467 4.161 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cc(Br)c[nH]3)n2CC2(C)CCCC2)C[C@H](C)O1 ZINC001316503814 1066471959 /nfs/dbraw/zinc/47/19/59/1066471959.db2.gz PCCXMPAVWGKBLG-CALCHBBNSA-N 1 1 479.467 4.161 20 0 JIADMO O=C(Nc1cc(F)ccc1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC001338046295 1066526958 /nfs/dbraw/zinc/52/69/58/1066526958.db2.gz KRNCYSSIDVDXFZ-GOSISDBHSA-N 1 1 460.347 4.151 20 0 JIADMO Fc1ccc(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001316522792 1066531232 /nfs/dbraw/zinc/53/12/32/1066531232.db2.gz HGUOKLHPQKIRLZ-UHFFFAOYSA-N 1 1 451.512 4.439 20 0 JIADMO Cc1cc(CN2CCCN(C(=O)NC[C@H](c3ccccc3)[N@@H+]3CCc4sccc4C3)CC2)no1 ZINC001338131823 1066533314 /nfs/dbraw/zinc/53/33/14/1066533314.db2.gz VNWFDFAEUIJTJS-XMMPIXPASA-N 1 1 479.650 4.061 20 0 JIADMO Cc1cc(CN2CCCN(C(=O)NC[C@H](c3ccccc3)[N@H+]3CCc4sccc4C3)CC2)no1 ZINC001338131823 1066533322 /nfs/dbraw/zinc/53/33/22/1066533322.db2.gz VNWFDFAEUIJTJS-XMMPIXPASA-N 1 1 479.650 4.061 20 0 JIADMO CCn1c2ccccc2c2cc(C[N@H+](C)CC(=O)N3CCC(C(=O)N(C)C(C)C)CC3)ccc21 ZINC001338256897 1066540918 /nfs/dbraw/zinc/54/09/18/1066540918.db2.gz ILKJTXZBNJZXHA-UHFFFAOYSA-N 1 1 462.638 4.352 20 0 JIADMO CCn1c2ccccc2c2cc(C[N@@H+](C)CC(=O)N3CCC(C(=O)N(C)C(C)C)CC3)ccc21 ZINC001338256897 1066540929 /nfs/dbraw/zinc/54/09/29/1066540929.db2.gz ILKJTXZBNJZXHA-UHFFFAOYSA-N 1 1 462.638 4.352 20 0 JIADMO Cc1cccc(N2CCN(c3nnc(CC(C)(C)C)n3CCC[N@H+]3CCCO[C@H](C)C3)CC2)c1C ZINC001492535569 1066585432 /nfs/dbraw/zinc/58/54/32/1066585432.db2.gz QHLNCZJMZOCLFT-HSZRJFAPSA-N 1 1 482.717 4.311 20 0 JIADMO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC001345438062 1066641076 /nfs/dbraw/zinc/64/10/76/1066641076.db2.gz YINDLKFQWJOKEP-UHFFFAOYSA-N 1 1 499.036 4.453 20 0 JIADMO CCOc1ccc(C[N@H+](C)CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1OC ZINC001317736273 1066656067 /nfs/dbraw/zinc/65/60/67/1066656067.db2.gz YYGZLKSZALMSIF-NRFANRHFSA-N 1 1 454.567 4.051 20 0 JIADMO CCOc1ccc(C[N@@H+](C)CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1OC ZINC001317736273 1066656074 /nfs/dbraw/zinc/65/60/74/1066656074.db2.gz YYGZLKSZALMSIF-NRFANRHFSA-N 1 1 454.567 4.051 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)n2C[C@H](C)[N@@H+](C)C2CC2)c1 ZINC001492543331 1066667455 /nfs/dbraw/zinc/66/74/55/1066667455.db2.gz IIAFCQSBVUABNU-FQEVSTJZSA-N 1 1 498.672 4.142 20 0 JIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC001317813246 1066703106 /nfs/dbraw/zinc/70/31/06/1066703106.db2.gz BJTPAPNAIWVGOG-IPVFLDMMSA-N 1 1 458.606 4.348 20 0 JIADMO O=C(Nc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1)C1CC1 ZINC001317889449 1066758902 /nfs/dbraw/zinc/75/89/02/1066758902.db2.gz NQCUOLSNJGPBLS-UHFFFAOYSA-N 1 1 474.527 4.471 20 0 JIADMO COc1ccc(NC(=O)[C@H]([NH2+]CCNC(=O)c2ccccc2C(F)(F)F)c2ccccc2)cc1 ZINC001317902290 1066771742 /nfs/dbraw/zinc/77/17/42/1066771742.db2.gz HTVPHLVGFDFCQO-JOCHJYFZSA-N 1 1 471.479 4.413 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)n2CCC(=O)NC(C)C)c1 ZINC001492546412 1066773332 /nfs/dbraw/zinc/77/33/32/1066773332.db2.gz VSJRKFPZJGBZHI-DNQXCXABSA-N 1 1 496.700 4.171 20 0 JIADMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1nn(-c2ccccc2F)cc1Br ZINC001317904791 1066774483 /nfs/dbraw/zinc/77/44/83/1066774483.db2.gz YOAQCRKIXSTQNW-KRWDZBQOSA-N 1 1 457.347 4.168 20 0 JIADMO Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC001348898368 1066787232 /nfs/dbraw/zinc/78/72/32/1066787232.db2.gz HIZLMSSDBQSQOY-XMMPIXPASA-N 1 1 460.578 4.336 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001492546927 1066856019 /nfs/dbraw/zinc/85/60/19/1066856019.db2.gz IITNRSJNWDXLRX-FCHUYYIVSA-N 1 1 498.672 4.095 20 0 JIADMO S=c1n(CN2CCC[N@H+]3CCC[C@@H]3C2)nc(Cc2cccs2)n1CCc1ccccc1 ZINC001318081610 1066889762 /nfs/dbraw/zinc/88/97/62/1066889762.db2.gz JWRAUNXNAFMKHK-OAQYLSRUSA-N 1 1 453.681 4.437 20 0 JIADMO C[NH+](C)[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cl)cc1 ZINC001349923180 1066897383 /nfs/dbraw/zinc/89/73/83/1066897383.db2.gz RUQOXHDEQOMEEB-NRFANRHFSA-N 1 1 450.004 4.146 20 0 JIADMO O=C(c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318106987 1066902687 /nfs/dbraw/zinc/90/26/87/1066902687.db2.gz ILMLETDJZVTVPG-SFHVURJKSA-N 1 1 468.406 4.105 20 0 JIADMO O=C(c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318106987 1066902699 /nfs/dbraw/zinc/90/26/99/1066902699.db2.gz ILMLETDJZVTVPG-SFHVURJKSA-N 1 1 468.406 4.105 20 0 JIADMO O=C(c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001318106987 1066902709 /nfs/dbraw/zinc/90/27/09/1066902709.db2.gz ILMLETDJZVTVPG-SFHVURJKSA-N 1 1 468.406 4.105 20 0 JIADMO CN(C)C(=O)C1CCC(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)CC1 ZINC001350238516 1066935902 /nfs/dbraw/zinc/93/59/02/1066935902.db2.gz RHSWZSQSMMJRRS-UHFFFAOYSA-N 1 1 457.615 4.093 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2ccccc2OC)C1 ZINC001318173182 1066939045 /nfs/dbraw/zinc/93/90/45/1066939045.db2.gz LQBGAELCWKBIAO-QURRFSBHSA-N 1 1 463.622 4.336 20 0 JIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1csc(I)n1 ZINC001350339640 1066945780 /nfs/dbraw/zinc/94/57/80/1066945780.db2.gz JINHZNMUIGMHGI-CYBMUJFWSA-N 1 1 455.365 4.052 20 0 JIADMO O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001318203338 1066956152 /nfs/dbraw/zinc/95/61/52/1066956152.db2.gz RICSLCPGMDNDLH-QHCPKHFHSA-N 1 1 488.554 4.228 20 0 JIADMO CC(C)[C@](C)(Cc1ccccc1)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001350485078 1066963293 /nfs/dbraw/zinc/96/32/93/1066963293.db2.gz WGKIDPKEKHYCMP-SANMLTNESA-N 1 1 455.574 4.330 20 0 JIADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC001318220651 1066968409 /nfs/dbraw/zinc/96/84/09/1066968409.db2.gz DNQHOMSVVUJJGM-XMMPIXPASA-N 1 1 462.981 4.110 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@@H]3c3cccc(Br)c3)c2)CC1 ZINC001318225589 1066970037 /nfs/dbraw/zinc/97/00/37/1066970037.db2.gz BTCMNYGARBNQKS-HSZRJFAPSA-N 1 1 471.443 4.243 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3ccc(NC(=O)c4ccco4)c(Cl)c3)c2)CC1 ZINC001318234146 1066975525 /nfs/dbraw/zinc/97/55/25/1066975525.db2.gz CNMGCSHRSOJMPP-UHFFFAOYSA-N 1 1 481.984 4.254 20 0 JIADMO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)CC1 ZINC001318261837 1066989447 /nfs/dbraw/zinc/98/94/47/1066989447.db2.gz GZJDABWYOLYXKY-UHFFFAOYSA-N 1 1 488.636 4.451 20 0 JIADMO C[C@H](c1ccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC001350771160 1066999711 /nfs/dbraw/zinc/99/97/11/1066999711.db2.gz IJASSZGBHJQLMT-VGSWGCGISA-N 1 1 459.512 4.088 20 0 JIADMO CCC[C@H](C(=O)N1c2ccccc2CC[C@H]1C(=O)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC001350772088 1066999956 /nfs/dbraw/zinc/99/99/56/1066999956.db2.gz PFTPZYQYCFQJLB-UPVQGACJSA-N 1 1 454.014 4.346 20 0 JIADMO C[C@@H](NC(=O)C[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1)c1ccc(Br)cc1 ZINC001318339478 1067023474 /nfs/dbraw/zinc/02/34/74/1067023474.db2.gz XIIAQTFJAPGFQN-IVZQSRNASA-N 1 1 456.384 4.074 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCOC[C@@H]2C)n1CC[N@@H+](C)C1CCCCC1 ZINC001300686798 1067029456 /nfs/dbraw/zinc/02/94/56/1067029456.db2.gz JYKSGDREJSUFIO-IBGZPJMESA-N 1 1 459.660 4.069 20 0 JIADMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001318354335 1067029412 /nfs/dbraw/zinc/02/94/12/1067029412.db2.gz LIQWKNRXVNXWDG-NRFANRHFSA-N 1 1 472.593 4.261 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2c[nH]c3ccccc32)c2cccc(OC)c2OC)C1 ZINC001318355323 1067030095 /nfs/dbraw/zinc/03/00/95/1067030095.db2.gz UYHWAULQIVDIID-CVDCTZTESA-N 1 1 464.610 4.348 20 0 JIADMO CC(C)(C)OC(=O)[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)Cc2ccccc21 ZINC001300687004 1067030112 /nfs/dbraw/zinc/03/01/12/1067030112.db2.gz IKQWYAMJUIFWCJ-XZOQPEGZSA-N 1 1 452.620 4.244 20 0 JIADMO CC(=O)N(CC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1)c1ccccc1 ZINC001354691133 1067044711 /nfs/dbraw/zinc/04/47/11/1067044711.db2.gz BJVBKUGRUVAHSY-UHFFFAOYSA-N 1 1 451.567 4.252 20 0 JIADMO COc1cc(NC(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)ccc1NC(=O)OC(C)(C)C ZINC001318457416 1067044574 /nfs/dbraw/zinc/04/45/74/1067044574.db2.gz HLTPAQUIIKANHL-UHFFFAOYSA-N 1 1 483.613 4.111 20 0 JIADMO CCC(CC)N1C[C@H](C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)CC1=O ZINC001354693799 1067046445 /nfs/dbraw/zinc/04/64/45/1067046445.db2.gz RFTGHXIQAQKFIW-LJQANCHMSA-N 1 1 457.615 4.236 20 0 JIADMO COc1ccncc1Cn1c(CC(C)(C)C)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001300696513 1067053923 /nfs/dbraw/zinc/05/39/23/1067053923.db2.gz DEJKRVHPYIATHX-JOCHJYFZSA-N 1 1 462.642 4.277 20 0 JIADMO COc1ccc(CN(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)c(OC)c1 ZINC001351154274 1067054133 /nfs/dbraw/zinc/05/41/33/1067054133.db2.gz MAOZFSIVZASSDU-FGZHOGPDSA-N 1 1 451.592 4.035 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1nn(-c2ccccc2)cc1Br ZINC001354731389 1067066695 /nfs/dbraw/zinc/06/66/95/1067066695.db2.gz QXGRATMLBXAEAV-DYESRHJHSA-N 1 1 453.384 4.275 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cccc(NC(=O)c4ccncc4)c3)CC2)cc1 ZINC001319301262 1067071353 /nfs/dbraw/zinc/07/13/53/1067071353.db2.gz MULMFAQDYFOZAL-UHFFFAOYSA-N 1 1 457.578 4.060 20 0 JIADMO Cc1nc[nH]c(=O)c1CCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC001319781300 1067079694 /nfs/dbraw/zinc/07/96/94/1067079694.db2.gz LSLPJTJJJSVRKT-UHFFFAOYSA-N 1 1 465.985 4.038 20 0 JIADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)Nc3cc(Cl)ccc3SCC(F)(F)F)CC2)C1 ZINC001200780114 1067091550 /nfs/dbraw/zinc/09/15/50/1067091550.db2.gz AJGFYAUHJTUAGX-HNNXBMFYSA-N 1 1 450.958 4.238 20 0 JIADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)Nc3cc(Cl)ccc3SCC(F)(F)F)CC2)C1 ZINC001200780128 1067091760 /nfs/dbraw/zinc/09/17/60/1067091760.db2.gz AJGFYAUHJTUAGX-OAHLLOKOSA-N 1 1 450.958 4.238 20 0 JIADMO Cc1csc(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1I ZINC001354775548 1067092049 /nfs/dbraw/zinc/09/20/49/1067092049.db2.gz HVHKAVRFPAXLMA-UHFFFAOYSA-N 1 1 455.365 4.055 20 0 JIADMO CCc1noc(COc2ccc(OC(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)cc2)n1 ZINC001354790147 1067100048 /nfs/dbraw/zinc/10/00/48/1067100048.db2.gz DPUNHCBYRDUEFQ-ROUUACIJSA-N 1 1 451.523 4.039 20 0 JIADMO CC(C)NC(=S)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001200788400 1067120006 /nfs/dbraw/zinc/12/00/06/1067120006.db2.gz HJUFVIXGTOMGGA-OAQYLSRUSA-N 1 1 460.688 4.008 20 0 JIADMO Fc1cc(Br)cc(Br)c1NC(=S)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001200799032 1067180268 /nfs/dbraw/zinc/18/02/68/1067180268.db2.gz IMSFGRAIOIPPBX-LLVKDONJSA-N 1 1 451.203 4.218 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3csc(Cc4ccc(Cl)cc4)n3)c2)C1 ZINC001321629621 1067181909 /nfs/dbraw/zinc/18/19/09/1067181909.db2.gz JOFXJYWRJFSHGZ-FQEVSTJZSA-N 1 1 483.037 4.015 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3csc(Cc4ccc(Cl)cc4)n3)c2)C1 ZINC001321629622 1067182092 /nfs/dbraw/zinc/18/20/92/1067182092.db2.gz JOFXJYWRJFSHGZ-HXUWFJFHSA-N 1 1 483.037 4.015 20 0 JIADMO Fc1cc(Br)cc(Br)c1NC(=S)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001200800605 1067195888 /nfs/dbraw/zinc/19/58/88/1067195888.db2.gz VWWPQVFYWSAKDQ-UHFFFAOYSA-N 1 1 477.241 4.465 20 0 JIADMO COc1ccc(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)c(OCC(C)C)c1 ZINC001351786049 1067206769 /nfs/dbraw/zinc/20/67/69/1067206769.db2.gz XQMPKKMPOXSYCQ-UHFFFAOYSA-N 1 1 451.567 4.269 20 0 JIADMO COC1CCC(Cn2c(COc3ccccc3F)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001300739704 1067215435 /nfs/dbraw/zinc/21/54/35/1067215435.db2.gz ZJNMLXYQEJAONB-UHFFFAOYSA-N 1 1 459.610 4.122 20 0 JIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC001321827720 1067215297 /nfs/dbraw/zinc/21/52/97/1067215297.db2.gz GXGVGSLCGLWJNO-OAQYLSRUSA-N 1 1 488.632 4.279 20 0 JIADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cncc(-c4ccc(OC)cc4C)c3)cc2)CC1 ZINC001351894215 1067235153 /nfs/dbraw/zinc/23/51/53/1067235153.db2.gz DFLXHPKKBBZWRK-UHFFFAOYSA-N 1 1 458.562 4.096 20 0 JIADMO CO[C@@H]1CCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001300744814 1067246543 /nfs/dbraw/zinc/24/65/43/1067246543.db2.gz KIFHJYIFHMXSSI-FYYLOGMGSA-N 1 1 455.647 4.025 20 0 JIADMO CC(C)[C@H](CNC(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1)[NH+]1CCC(C)CC1 ZINC001354889673 1067254413 /nfs/dbraw/zinc/25/44/13/1067254413.db2.gz OPKMUHTZTQPCIY-QFIPXVFZSA-N 1 1 452.636 4.175 20 0 JIADMO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001200809857 1067255766 /nfs/dbraw/zinc/25/57/66/1067255766.db2.gz BBFFBQODPWJDNE-KPFFTGBYSA-N 1 1 479.481 4.465 20 0 JIADMO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001200810049 1067257412 /nfs/dbraw/zinc/25/74/12/1067257412.db2.gz DQQAOFUKANWETG-ZWKOTPCHSA-N 1 1 451.423 4.369 20 0 JIADMO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001200811390 1067262830 /nfs/dbraw/zinc/26/28/30/1067262830.db2.gz WTXNLOIJKAWUMG-AYBZRNKSSA-N 1 1 467.470 4.464 20 0 JIADMO CO[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001300749894 1067267954 /nfs/dbraw/zinc/26/79/54/1067267954.db2.gz SPGUPGQOFFBFGQ-VXKWHMMOSA-N 1 1 482.654 4.127 20 0 JIADMO COc1ccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3-n3cc[nH+]c3C)CC2=O)cc1 ZINC001354953770 1067302831 /nfs/dbraw/zinc/30/28/31/1067302831.db2.gz YIQMOSSAAUJRTA-OAHLLOKOSA-N 1 1 458.440 4.200 20 0 JIADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)C[C@H](C)O1 ZINC001352163358 1067304041 /nfs/dbraw/zinc/30/40/41/1067304041.db2.gz QQOUWWBHTFIOOI-IRXDYDNUSA-N 1 1 456.974 4.403 20 0 JIADMO CCCN(C(=O)CCc1ccc(S(=O)(=O)CC)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001352176310 1067305980 /nfs/dbraw/zinc/30/59/80/1067305980.db2.gz NZRHPFMIILUTBD-DEOSSOPVSA-N 1 1 456.652 4.316 20 0 JIADMO Cc1ccccc1Cc1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001492579341 1067313494 /nfs/dbraw/zinc/31/34/94/1067313494.db2.gz INKYYWFBHZNZFH-QPPBQGQZSA-N 1 1 496.700 4.401 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC001492495455 1067325014 /nfs/dbraw/zinc/32/50/14/1067325014.db2.gz XZIZTOAJDFMOHK-IBGZPJMESA-N 1 1 483.611 4.150 20 0 JIADMO 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O=C(CSc1nnc(NCC(F)(F)F)s1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000489018721 1067830918 /nfs/dbraw/zinc/83/09/18/1067830918.db2.gz WBELLHOWYLITGH-UHFFFAOYSA-N 1 1 481.569 4.102 20 0 JIADMO COc1ccc(CN(C)c2nnc(CC(C)(C)C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC001300172496 1067831910 /nfs/dbraw/zinc/83/19/10/1067831910.db2.gz JJGHVQCLBNQYLH-QFIPXVFZSA-N 1 1 457.663 4.177 20 0 JIADMO COc1ccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1OC ZINC001300176467 1067836521 /nfs/dbraw/zinc/83/65/21/1067836521.db2.gz UQZKOVFTKABGCP-LEWJYISDSA-N 1 1 478.641 4.038 20 0 JIADMO CCOCCO[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC001357395076 1067843616 /nfs/dbraw/zinc/84/36/16/1067843616.db2.gz JBLSRKIGEJUWNN-CCDWMCETSA-N 1 1 457.014 4.210 20 0 JIADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H](C)c3ccc(Br)s3)cc2)CC1 ZINC001357480244 1067855956 /nfs/dbraw/zinc/85/59/56/1067855956.db2.gz VQIQZDTTXTWIPU-AWEZNQCLSA-N 1 1 450.402 4.031 20 0 JIADMO 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IEPFWYXCVBEPFM-RPWUZVMVSA-N 1 1 456.594 4.496 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Oc2ccc(NC(=O)c3ccccc3Br)cc2)cn1 ZINC000849492147 1069059523 /nfs/dbraw/zinc/05/95/23/1069059523.db2.gz VSSMNSRHVPTDDN-PZJWPPBQSA-N 1 1 497.393 4.076 20 0 JIADMO 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 1069062730 /nfs/dbraw/zinc/06/27/30/1069062730.db2.gz XDEHCTMINXAMIP-QUCCMNQESA-N 1 1 484.601 4.094 20 0 JIADMO COc1cc(CN(C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)C2CC2)ccc1OC(F)F ZINC000849492446 1069062740 /nfs/dbraw/zinc/06/27/40/1069062740.db2.gz WZRUIGFZXCSCHO-RTWAWAEBSA-N 1 1 476.568 4.035 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849493625 1069064633 /nfs/dbraw/zinc/06/46/33/1069064633.db2.gz YIDMRYDXVKCRPE-IZLXSDGUSA-N 1 1 496.659 4.462 20 0 JIADMO CCCN(Cc1ccccc1Br)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849495349 1069064668 /nfs/dbraw/zinc/06/46/68/1069064668.db2.gz BUUGWMBCZCKMFS-LEWJYISDSA-N 1 1 461.448 4.435 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)[C@H](c2cnn(C)c2)C1 ZINC000849497299 1069068510 /nfs/dbraw/zinc/06/85/10/1069068510.db2.gz OBBUAYZHFMIPJV-QUCCMNQESA-N 1 1 484.442 4.063 20 0 JIADMO CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849498907 1069070503 /nfs/dbraw/zinc/07/05/03/1069070503.db2.gz VDRDTIIIRJMKMZ-PMACEKPBSA-N 1 1 465.411 4.184 20 0 JIADMO CC(C)c1ccc(OC2CCN(C(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)CC2)cc1 ZINC000849500790 1069073068 /nfs/dbraw/zinc/07/30/68/1069073068.db2.gz JDEVOQZBFOPFQG-UIOOFZCWSA-N 1 1 452.643 4.427 20 0 JIADMO Cc1cccc(COc2ccc(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)c1 ZINC000849501121 1069073139 /nfs/dbraw/zinc/07/31/39/1069073139.db2.gz SSXSSTKFZIGBFA-KAYWLYCHSA-N 1 1 460.622 4.438 20 0 JIADMO Cc1cccc(COc2ccc(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)c1 ZINC000849501122 1069073176 /nfs/dbraw/zinc/07/31/76/1069073176.db2.gz SSXSSTKFZIGBFA-RRPNLBNLSA-N 1 1 460.622 4.438 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849501497 1069074075 /nfs/dbraw/zinc/07/40/75/1069074075.db2.gz MVLDUYFSJVQFMD-LEWJYISDSA-N 1 1 470.017 4.435 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(I)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849502406 1069074862 /nfs/dbraw/zinc/07/48/62/1069074862.db2.gz ZZIQJBLDOMCOKC-HZPDHXFCSA-N 1 1 486.785 4.131 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)[C@H](c2cnn(C)c2)C1 ZINC000849502000 1069075886 /nfs/dbraw/zinc/07/58/86/1069075886.db2.gz OVPZNMOBCLAJRU-RPWUZVMVSA-N 1 1 476.577 4.180 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)cn1 ZINC000849503374 1069077809 /nfs/dbraw/zinc/07/78/09/1069077809.db2.gz IGUYVCHXOAJTDF-XKCSPQBFSA-N 1 1 485.401 4.263 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849503931 1069082440 /nfs/dbraw/zinc/08/24/40/1069082440.db2.gz AEGMYJQWATVHAO-LOSJGSFVSA-N 1 1 465.642 4.277 20 0 JIADMO COc1ccccc1Cc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C[C@](C)(O)C(C)C ZINC001300572306 1069083882 /nfs/dbraw/zinc/08/38/82/1069083882.db2.gz HMXPJTGGAZJMQV-FNZWTVRRSA-N 1 1 483.682 4.229 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC2(c3cccc(Br)c3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849504674 1069084237 /nfs/dbraw/zinc/08/42/37/1069084237.db2.gz DJHFJYRKPBPERV-FCHUYYIVSA-N 1 1 473.459 4.235 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC2(c3cccc(Br)c3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849504676 1069084613 /nfs/dbraw/zinc/08/46/13/1069084613.db2.gz DJHFJYRKPBPERV-VXKWHMMOSA-N 1 1 473.459 4.235 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(C)c2ccc(Br)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849507158 1069087132 /nfs/dbraw/zinc/08/71/32/1069087132.db2.gz PECHBAZTSLYTCE-IAGOWNOFSA-N 1 1 453.812 4.313 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849507755 1069089003 /nfs/dbraw/zinc/08/90/03/1069089003.db2.gz SNJQQQCOTPFOPR-OALUTQOASA-N 1 1 469.973 4.371 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cn1 ZINC000849507595 1069089828 /nfs/dbraw/zinc/08/98/28/1069089828.db2.gz DKFNFFACMVZZBJ-VXKWHMMOSA-N 1 1 466.973 4.392 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cn1 ZINC000849508633 1069090661 /nfs/dbraw/zinc/09/06/61/1069090661.db2.gz AHPGOSVECDCTTK-PZJWPPBQSA-N 1 1 485.510 4.365 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)cn1 ZINC000849508655 1069090819 /nfs/dbraw/zinc/09/08/19/1069090819.db2.gz AKVBLCZTOHQWEC-DNQXCXABSA-N 1 1 492.023 4.227 20 0 JIADMO COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849510876 1069095264 /nfs/dbraw/zinc/09/52/64/1069095264.db2.gz LXYIBBBHFGTZSB-QKDODKLFSA-N 1 1 478.612 4.482 20 0 JIADMO Cc1cccc(CNC(=O)c2ccc(C(=O)Nc3ccc(N4CCC[N@H+](C)CC4)cc3)cc2)c1 ZINC001354309140 1069095721 /nfs/dbraw/zinc/09/57/21/1069095721.db2.gz QWIYWEUNLKFGBT-UHFFFAOYSA-N 1 1 456.590 4.319 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849511712 1069096037 /nfs/dbraw/zinc/09/60/37/1069096037.db2.gz SUKCPAIBVIPMFC-RPBOFIJWSA-N 1 1 465.642 4.069 20 0 JIADMO Cc1nnc(Sc2ccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)c(C)c2)s1 ZINC000849513575 1069098167 /nfs/dbraw/zinc/09/81/67/1069098167.db2.gz CMRCMGWVQBWVAR-UXHICEINSA-N 1 1 470.668 4.492 20 0 JIADMO Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849515731 1069102642 /nfs/dbraw/zinc/10/26/42/1069102642.db2.gz MRGYAFFPUIGBPJ-RTWAWAEBSA-N 1 1 450.612 4.122 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC(C)(C)Cc2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849517399 1069103275 /nfs/dbraw/zinc/10/32/75/1069103275.db2.gz NKMONDQTDSWGLL-RTWAWAEBSA-N 1 1 461.448 4.134 20 0 JIADMO Cc1cccc(-c2cc(NC(=O)[C@@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)n(Cc3ccccc3)n2)c1 ZINC000849516995 1069103481 /nfs/dbraw/zinc/10/34/81/1069103481.db2.gz LZCOTWDRSRYYOL-JWQCQUIFSA-N 1 1 468.605 4.314 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518719 1069110054 /nfs/dbraw/zinc/11/00/54/1069110054.db2.gz OVBDJBYOZHUJSR-RTWAWAEBSA-N 1 1 451.596 4.187 20 0 JIADMO COc1cccc(Cc2nnc(NC(=O)NCc3ccccc3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)s2)c1 ZINC000504190091 1069112401 /nfs/dbraw/zinc/11/24/01/1069112401.db2.gz LXVIUOGWZVGINF-HDICACEKSA-N 1 1 481.622 4.068 20 0 JIADMO COc1cccc(Cc2nnc(NC(=O)NCc3ccccc3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)s2)c1 ZINC000504190091 1069112413 /nfs/dbraw/zinc/11/24/13/1069112413.db2.gz LXVIUOGWZVGINF-HDICACEKSA-N 1 1 481.622 4.068 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849521750 1069115161 /nfs/dbraw/zinc/11/51/61/1069115161.db2.gz GRIJUNUKMCMAOM-DQEYMECFSA-N 1 1 460.578 4.230 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849522074 1069115249 /nfs/dbraw/zinc/11/52/49/1069115249.db2.gz JGQDFEUQUYFTGN-ZEQRLZLVSA-N 1 1 460.578 4.196 20 0 JIADMO CCOc1ccc(-c2csc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)n2)cc1 ZINC000849523700 1069117307 /nfs/dbraw/zinc/11/73/07/1069117307.db2.gz DVYUIXWLTIUAIB-RTWAWAEBSA-N 1 1 453.612 4.395 20 0 JIADMO 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 1069117443 /nfs/dbraw/zinc/11/74/43/1069117443.db2.gz YSCYGKVPIQAUBL-CECAUBDESA-N 1 1 483.415 4.280 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849526292 1069121232 /nfs/dbraw/zinc/12/12/32/1069121232.db2.gz RLEBDDKKLDCVQC-RPWUZVMVSA-N 1 1 478.568 4.335 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849525779 1069122626 /nfs/dbraw/zinc/12/26/26/1069122626.db2.gz OOTDFLHZUKJTTH-DHIUTWEWSA-N 1 1 478.666 4.159 20 0 JIADMO CC/C(=C\C(=O)N1c2ccccc2CC[C@H]1C(=O)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC001354339545 1069123137 /nfs/dbraw/zinc/12/31/37/1069123137.db2.gz YAOMUMMJUIUJOX-QYNZQUMISA-N 1 1 451.998 4.255 20 0 JIADMO COc1cccc(Br)c1[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=S)NC1CC1 ZINC001200640096 1069140331 /nfs/dbraw/zinc/14/03/31/1069140331.db2.gz CDDUPCOTJCZDMH-IEBWSBKVSA-N 1 1 460.441 4.052 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CC23CCOCC3)cn1 ZINC000849538053 1069158959 /nfs/dbraw/zinc/15/89/59/1069158959.db2.gz XNFCZSKOIHLTOA-RPWUZVMVSA-N 1 1 454.590 4.023 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)CC23CCOCC3)cn1 ZINC000849538053 1069158974 /nfs/dbraw/zinc/15/89/74/1069158974.db2.gz XNFCZSKOIHLTOA-RPWUZVMVSA-N 1 1 454.590 4.023 20 0 JIADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000849537518 1069161845 /nfs/dbraw/zinc/16/18/45/1069161845.db2.gz UEMKKSAXEDOLJF-SMIHKQSGSA-N 1 1 452.002 4.142 20 0 JIADMO CCOC(=O)COc1ccc(OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)cc1 ZINC001354403569 1069184916 /nfs/dbraw/zinc/18/49/16/1069184916.db2.gz FWORTOKJTNTTFC-LOSJGSFVSA-N 1 1 451.563 4.472 20 0 JIADMO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc(C(C)(C)C)cc3)o2)c1 ZINC001200654738 1069187748 /nfs/dbraw/zinc/18/77/48/1069187748.db2.gz QBGLLOLDWNCVAC-UHFFFAOYSA-N 1 1 456.608 4.459 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849548814 1069188003 /nfs/dbraw/zinc/18/80/03/1069188003.db2.gz OPXZXNMGGLVKCO-DQEYMECFSA-N 1 1 496.633 4.069 20 0 JIADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC001200656284 1069190678 /nfs/dbraw/zinc/19/06/78/1069190678.db2.gz BDYAZGKNDWQNGK-JOCHJYFZSA-N 1 1 459.594 4.131 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2F)[C@H](c2cnn(C)c2)C1 ZINC000849553333 1069194805 /nfs/dbraw/zinc/19/48/05/1069194805.db2.gz IYBNWGJHYWNTDS-PMACEKPBSA-N 1 1 460.557 4.351 20 0 JIADMO CN1CC[NH+](Cc2ccc(CNC(=O)Nc3ccc(COCc4ccccc4)cc3)cc2)CC1 ZINC001200658304 1069195665 /nfs/dbraw/zinc/19/56/65/1069195665.db2.gz WIIMUUQKDDKNLM-UHFFFAOYSA-N 1 1 458.606 4.473 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000849555122 1069200296 /nfs/dbraw/zinc/20/02/96/1069200296.db2.gz XHZJEMUPAUHGTF-FCHUYYIVSA-N 1 1 465.425 4.080 20 0 JIADMO COc1cccc([C@H](NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2cc(F)ccc2OC)c1 ZINC000849556949 1069203751 /nfs/dbraw/zinc/20/37/51/1069203751.db2.gz DQSKHYATRJOVFR-NIYJGHKDSA-N 1 1 494.611 4.296 20 0 JIADMO COc1ccc(-c2ccc(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)s2)cc1 ZINC000849556688 1069204782 /nfs/dbraw/zinc/20/47/82/1069204782.db2.gz CZKNQWAASGBSCN-GOTSBHOMSA-N 1 1 452.624 4.288 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849557513 1069205313 /nfs/dbraw/zinc/20/53/13/1069205313.db2.gz IEVHHKVYUXGHJR-DNQXCXABSA-N 1 1 451.615 4.392 20 0 JIADMO C[C@@H]([NH2+]C1(CNCc2c(Cl)cccc2N2CCN(C)CC2)CCOCC1)c1ccccc1 ZINC001200661593 1069206611 /nfs/dbraw/zinc/20/66/11/1069206611.db2.gz OOZAWFZQHSXCIC-OAQYLSRUSA-N 1 1 457.062 4.081 20 0 JIADMO 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 1069211805 /nfs/dbraw/zinc/21/18/05/1069211805.db2.gz PPMBMACMYIVNMG-HJOGWXRNSA-N 1 1 454.659 4.461 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849564328 1069212580 /nfs/dbraw/zinc/21/25/80/1069212580.db2.gz USXTUBIPLQTGQZ-BJKOFHAPSA-N 1 1 489.705 4.310 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC(C)(C)c2ccccc2Br)[C@H](c2cnn(C)c2)C1 ZINC000849564787 1069214701 /nfs/dbraw/zinc/21/47/01/1069214701.db2.gz RCFHIJKDMZJVFI-OALUTQOASA-N 1 1 461.448 4.091 20 0 JIADMO 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 1069216156 /nfs/dbraw/zinc/21/61/56/1069216156.db2.gz XPPGHDFRHYOYRA-WUMKDDEVSA-N 1 1 483.657 4.136 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCc2cc(Cl)ccc2Br)[C@@H](c2cnn(C)c2)C1 ZINC000849566241 1069216216 /nfs/dbraw/zinc/21/62/16/1069216216.db2.gz ZRMIPQCFRLHFLU-RTBURBONSA-N 1 1 467.839 4.009 20 0 JIADMO COc1ccc(Oc2ccc(CCNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)cc1 ZINC000849569039 1069220268 /nfs/dbraw/zinc/22/02/68/1069220268.db2.gz RGPKGUQOLCOYJU-RRPNLBNLSA-N 1 1 476.621 4.394 20 0 JIADMO 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 1069222119 /nfs/dbraw/zinc/22/21/19/1069222119.db2.gz IKTXUVLVPUHLDS-SQGPQFPESA-N 1 1 454.924 4.395 20 0 JIADMO CCn1c2ccc(Br)cc2nc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849571044 1069222838 /nfs/dbraw/zinc/22/28/38/1069222838.db2.gz GJQVBEXYQGDBRQ-ROUUACIJSA-N 1 1 473.419 4.005 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCCCc3c(Br)cccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849573709 1069225787 /nfs/dbraw/zinc/22/57/87/1069225787.db2.gz RVWWGAHLYOEWIG-UYAOXDASSA-N 1 1 459.432 4.366 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](SC)C(C)(C)C)CC1 ZINC001300614800 1069227272 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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 1069245496 /nfs/dbraw/zinc/24/54/96/1069245496.db2.gz UPWMVKRAQRDGGG-ROUUACIJSA-N 1 1 464.035 4.300 20 0 JIADMO Cc1sc(C2(NC(=O)[C@@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)CCC2)nc1-c1ccccc1F ZINC000849596372 1069248784 /nfs/dbraw/zinc/24/87/84/1069248784.db2.gz MTZQFDBTXLUHKL-UYAOXDASSA-N 1 1 467.614 4.222 20 0 JIADMO 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 1069249429 /nfs/dbraw/zinc/24/94/29/1069249429.db2.gz NHEWQMRNDCFOJR-DHIUTWEWSA-N 1 1 497.640 4.002 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849597997 1069253842 /nfs/dbraw/zinc/25/38/42/1069253842.db2.gz WOAYAYWXJFNWAT-OIBXWCBGSA-N 1 1 473.459 4.088 20 0 JIADMO 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 1069254197 /nfs/dbraw/zinc/25/41/97/1069254197.db2.gz VKFFHTSQNRROEZ-LSDHHAIUSA-N 1 1 464.410 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4.194 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849607631 1069265861 /nfs/dbraw/zinc/26/58/61/1069265861.db2.gz XJUVHCOGNDBRMX-UXHICEINSA-N 1 1 454.962 4.108 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NC2(c3ccccc3Br)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849608948 1069266411 /nfs/dbraw/zinc/26/64/11/1069266411.db2.gz RCMQREMSYJKIPK-RTBURBONSA-N 1 1 459.432 4.192 20 0 JIADMO COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849608982 1069267121 /nfs/dbraw/zinc/26/71/21/1069267121.db2.gz RIPBTJXYRGTZBS-DWLFOUALSA-N 1 1 459.034 4.432 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2cccc(Oc3ccccc3F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849610248 1069268035 /nfs/dbraw/zinc/26/80/35/1069268035.db2.gz YTGBYMMFSXVRLF-GOTSBHOMSA-N 1 1 450.558 4.482 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(SCc3cccs3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849611121 1069269925 /nfs/dbraw/zinc/26/99/25/1069269925.db2.gz UBRIROSDYBODPT-IRXDYDNUSA-N 1 1 462.670 4.078 20 0 JIADMO Cc1ccc(Sc2nsc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)cc1 ZINC000849612469 1069271824 /nfs/dbraw/zinc/27/18/24/1069271824.db2.gz LJIMEDHEWJVARU-RTBURBONSA-N 1 1 456.641 4.184 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)CC2COC(C)(C)OC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001492577648 1069283732 /nfs/dbraw/zinc/28/37/32/1069283732.db2.gz VQUGLHMDNMCWOK-UHFFFAOYSA-N 1 1 469.674 4.277 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)CCc2cccs2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001492577807 1069286331 /nfs/dbraw/zinc/28/63/31/1069286331.db2.gz XHJGHMOANWMZJQ-QFIPXVFZSA-N 1 1 467.683 4.419 20 0 JIADMO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2c1C ZINC001164626815 719098561 /nfs/dbraw/zinc/09/85/61/719098561.db2.gz IWKFZSZQWFHTSM-XZOQPEGZSA-N 1 1 477.678 4.241 20 0 JIADMO COc1ccc(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)c(OC)c1OC ZINC001164628025 719107141 /nfs/dbraw/zinc/10/71/41/719107141.db2.gz LVCMJQTWHGGTTE-REWPJTCUSA-N 1 1 460.578 4.270 20 0 JIADMO CN(C)C(=O)CO[C@@H]1CCC2(CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC2)c2ccccc21 ZINC001164630606 719140595 /nfs/dbraw/zinc/14/05/95/719140595.db2.gz JUBSNSKJQNGQRD-AREMUKBSSA-N 1 1 492.664 4.033 20 0 JIADMO Cc1noc([C@@H]2C[C@H]3CCN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@@H]3O2)n1 ZINC001164653091 719300528 /nfs/dbraw/zinc/30/05/28/719300528.db2.gz OBCGMGFLEADKRN-NEWSRXKRSA-N 1 1 480.638 4.214 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)n1 ZINC001164648048 719305303 /nfs/dbraw/zinc/30/53/03/719305303.db2.gz FRKALAMTUYDJAG-HWHXTQLESA-N 1 1 491.661 4.026 20 0 JIADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c12 ZINC001164652142 719315102 /nfs/dbraw/zinc/31/51/02/719315102.db2.gz OHOFOMHLLIJLSR-UHFFFAOYSA-N 1 1 457.626 4.498 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H](NC(=O)CC4CC4)[C@H]4OCCC[C@H]4C3)c2c1C ZINC001164652157 719325988 /nfs/dbraw/zinc/32/59/88/719325988.db2.gz BUEOQWJDPARCJE-BKSPAHHJSA-N 1 1 497.709 4.194 20 0 JIADMO 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COc1ccc2c(ccnc2N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164679959 719662123 /nfs/dbraw/zinc/66/21/23/719662123.db2.gz BITMQTLVGUIXRU-JOCHJYFZSA-N 1 1 472.633 4.337 20 0 JIADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n1)CC2 ZINC001164687524 719720833 /nfs/dbraw/zinc/72/08/33/719720833.db2.gz YWCJFXMGXKHBPH-UHFFFAOYSA-N 1 1 477.012 4.040 20 0 JIADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC001164703403 719859053 /nfs/dbraw/zinc/85/90/53/719859053.db2.gz PRAJRLRYFWPCFJ-IBVKSMDESA-N 1 1 498.986 4.322 20 0 JIADMO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707714 719906251 /nfs/dbraw/zinc/90/62/51/719906251.db2.gz VXZUGIVTRJNEQW-UHFFFAOYSA-N 1 1 486.972 4.305 20 0 JIADMO CCO[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)[C@@H]2CCCO[C@H]12 ZINC001164712569 720064193 /nfs/dbraw/zinc/06/41/93/720064193.db2.gz KQZBVRUHCXMECI-YIKPNSEUSA-N 1 1 456.656 4.185 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1cccnc1Cl)CC2 ZINC001164710021 720106204 /nfs/dbraw/zinc/10/62/04/720106204.db2.gz FPPJCSFHGLXBCH-GOSISDBHSA-N 1 1 452.933 4.062 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C(=O)Nc3ccccc3)ccn1)CC2 ZINC001164714846 720120311 /nfs/dbraw/zinc/12/03/11/720120311.db2.gz CLKITSVRIKMATM-RUZDIDTESA-N 1 1 471.605 4.236 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(C)c(C)c(Cl)n1)CC2 ZINC001164718620 720126627 /nfs/dbraw/zinc/12/66/27/720126627.db2.gz TYGUERPNESJTTD-LJQANCHMSA-N 1 1 465.976 4.194 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(F)cc1C(=O)NCc1cccs1)C2 ZINC001164815870 720139807 /nfs/dbraw/zinc/13/98/07/720139807.db2.gz WPQFIJBADIYDNI-MZNJEOGPSA-N 1 1 493.048 4.050 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccccc3OC)nn1)CC2 ZINC001164711701 720142782 /nfs/dbraw/zinc/14/27/82/720142782.db2.gz HZARGIYKGXWKCW-QFIPXVFZSA-N 1 1 459.594 4.055 20 0 JIADMO CCc1nc(Cl)c(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c(Cl)n1 ZINC001164712271 720147760 /nfs/dbraw/zinc/14/77/60/720147760.db2.gz MGANRRSEDDUEPN-QGZVFWFLSA-N 1 1 450.414 4.248 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3cc(OC)ccc3OC)nn1)CC2 ZINC001164711734 720148466 /nfs/dbraw/zinc/14/84/66/720148466.db2.gz ISSNWDJJTSWEME-JOCHJYFZSA-N 1 1 489.620 4.063 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(-c3ccncc3)n1)CC2 ZINC001164713578 720154389 /nfs/dbraw/zinc/15/43/89/720154389.db2.gz SGCZBFNSAXTYCM-OAQYLSRUSA-N 1 1 465.001 4.095 20 0 JIADMO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)n1 ZINC001164818508 720170776 /nfs/dbraw/zinc/17/07/76/720170776.db2.gz SYYQMTWWNMCGRA-HFZDXXHNSA-N 1 1 471.715 4.335 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)C2 ZINC001164816361 720172356 /nfs/dbraw/zinc/17/23/56/720172356.db2.gz LAROUKDEAJSMPG-KKSFZXQISA-N 1 1 452.933 4.120 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)c3cc(OC)ccc3n1)C2 ZINC001164812449 720175365 /nfs/dbraw/zinc/17/53/65/720175365.db2.gz ASLQXHRHPRVPHF-AOMKIAJQSA-N 1 1 466.960 4.021 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1OC)C2 ZINC001164814191 720198902 /nfs/dbraw/zinc/19/89/02/720198902.db2.gz UDYIKVYIGAZNAN-HOYKHHGWSA-N 1 1 458.990 4.116 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(OC)c1)C2 ZINC001164815492 720199369 /nfs/dbraw/zinc/19/93/69/720199369.db2.gz ZZBZHFYZQUETOD-KOSHJBKYSA-N 1 1 458.990 4.116 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccn3)c(-c3ccccn3)nc1Cl)C2 ZINC001164810911 720200768 /nfs/dbraw/zinc/20/07/68/720200768.db2.gz FMNFFIVGGDHMFL-CCLHPLFOSA-N 1 1 491.039 4.439 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CCC2 ZINC001164813419 720225871 /nfs/dbraw/zinc/22/58/71/720225871.db2.gz LTPHSJUEIVOOEQ-UHFFFAOYSA-N 1 1 497.377 4.289 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc3ccccc3nc1Cl)CCC2 ZINC001164813965 720231387 /nfs/dbraw/zinc/23/13/87/720231387.db2.gz SKGHBDKRCGNAGH-UHFFFAOYSA-N 1 1 461.944 4.240 20 0 JIADMO CSCc1nc2sc3c(c2c(N2CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C2)n1)CCCC3 ZINC001164812700 720236703 /nfs/dbraw/zinc/23/67/03/720236703.db2.gz HPMGWURQVAODHA-UHFFFAOYSA-N 1 1 498.722 4.240 20 0 JIADMO Cc1cccc(Oc2nc(Cl)ncc2N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164816366 720245721 /nfs/dbraw/zinc/24/57/21/720245721.db2.gz IKJDASYVCCRPOT-UHFFFAOYSA-N 1 1 468.989 4.038 20 0 JIADMO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1c1nc(C[NH+]2CCCCC2)nc2sc(C)c(C)c21 ZINC001164725508 720316486 /nfs/dbraw/zinc/31/64/86/720316486.db2.gz WKDPPQNUJXXWLA-NRFANRHFSA-N 1 1 495.697 4.311 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)n1 ZINC001164725256 720502441 /nfs/dbraw/zinc/50/24/41/720502441.db2.gz IYZIAOOYARJHAF-RXFWQSSRSA-N 1 1 494.665 4.169 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835027 720530075 /nfs/dbraw/zinc/53/00/75/720530075.db2.gz GTRPFQOBQKIALT-DJPFJPOOSA-N 1 1 460.960 4.402 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3ccc4ncnc(Cl)c4c3)CC[C@@H]21 ZINC001164835028 720531145 /nfs/dbraw/zinc/53/11/45/720531145.db2.gz GTRPFQOBQKIALT-MDKPJZGXSA-N 1 1 460.960 4.402 20 0 JIADMO CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1 ZINC001164835587 720594127 /nfs/dbraw/zinc/59/41/27/720594127.db2.gz BNJLTKFZCBTOKL-CNNODRBYSA-N 1 1 483.016 4.034 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(-c4ccccn4)nc4ccccc43)CC[C@@H]21 ZINC001164841263 720603459 /nfs/dbraw/zinc/60/34/59/720603459.db2.gz RUGCVEGTPWFZGV-CZSZKKDXSA-N 1 1 453.594 4.266 20 0 JIADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164835273 720604098 /nfs/dbraw/zinc/60/40/98/720604098.db2.gz AUYPLEBCKNNZDJ-YTFSRNRJSA-N 1 1 493.725 4.478 20 0 JIADMO Cc1ccc(-c2nc3c(ncnc3N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)o2)cc1 ZINC001164835604 720609918 /nfs/dbraw/zinc/60/99/18/720609918.db2.gz BSPJMYBXSOEYPO-BHIFYINESA-N 1 1 457.582 4.168 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C(=O)OCc4ccccc4)cn3)CC[C@@H]21 ZINC001164836773 720616260 /nfs/dbraw/zinc/61/62/60/720616260.db2.gz GVQDVDRWGSAQDP-DSITVLBTSA-N 1 1 459.594 4.013 20 0 JIADMO COc1ccc(Oc2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc(C)n2)cc1 ZINC001164837230 720634191 /nfs/dbraw/zinc/63/41/91/720634191.db2.gz HRXGCGGTJZXOEB-PQNGQFLHSA-N 1 1 462.598 4.160 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cncc(OCc4cccc(Cl)c4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840148 720638839 /nfs/dbraw/zinc/63/88/39/720638839.db2.gz PDOJPPKSGXHBIX-AKIFATBCSA-N 1 1 467.017 4.283 20 0 JIADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164839801 720679725 /nfs/dbraw/zinc/67/97/25/720679725.db2.gz BWBVNSBHKYINSZ-HXUWFJFHSA-N 1 1 458.002 4.480 20 0 JIADMO C[C@H]1CCCN(C(=O)c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc2)C1 ZINC001164841022 720711731 /nfs/dbraw/zinc/71/17/31/720711731.db2.gz UJJBWRQWEFXKNP-DHLKQENFSA-N 1 1 462.638 4.214 20 0 JIADMO COc1ccc2c(c1)nc(N1CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C1)cc2-c1ccccc1 ZINC001164743937 720762042 /nfs/dbraw/zinc/76/20/42/720762042.db2.gz QPYMNEAFWMDATQ-IFMALSPDSA-N 1 1 453.546 4.042 20 0 JIADMO c1c(-c2ccccc2)c2c(ncnc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1-c1ccccc1 ZINC001164740400 720762712 /nfs/dbraw/zinc/76/27/12/720762712.db2.gz KTCTXLZEARTNQO-RPWUZVMVSA-N 1 1 489.583 4.219 20 0 JIADMO Fc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164750352 720789248 /nfs/dbraw/zinc/78/92/48/720789248.db2.gz VIXJJYYMFOCFAZ-RTBURBONSA-N 1 1 475.902 4.218 20 0 JIADMO Fc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164750352 720789268 /nfs/dbraw/zinc/78/92/68/720789268.db2.gz VIXJJYYMFOCFAZ-RTBURBONSA-N 1 1 475.902 4.218 20 0 JIADMO COC[C@]12CCCO[C@H]1CCN(c1nc(C[NH+]3CCC(C)CC3)nc3sc4c(c31)CCC4)C2 ZINC001164850818 720827849 /nfs/dbraw/zinc/82/78/49/720827849.db2.gz VEOXIYOEBWTZHQ-HFZDXXHNSA-N 1 1 470.683 4.434 20 0 JIADMO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747523 720840585 /nfs/dbraw/zinc/84/05/85/720840585.db2.gz RBFLOOAVSNRZBG-NPPFBWRTSA-N 1 1 472.971 4.404 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)nc4ccc(Cl)cc43)CC[C@H]2C1 ZINC001164853831 720844971 /nfs/dbraw/zinc/84/49/71/720844971.db2.gz PSFZVPWJKJAIPM-FDDCHVKYSA-N 1 1 470.976 4.263 20 0 JIADMO 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 720846054 /nfs/dbraw/zinc/84/60/54/720846054.db2.gz LAALRLOQAOCMOY-PCCBWWKXSA-N 1 1 451.663 4.043 20 0 JIADMO c1cc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cs1 ZINC001164751063 720848293 /nfs/dbraw/zinc/84/82/93/720848293.db2.gz YFAUBEHZUHVKTH-PQNGQFLHSA-N 1 1 471.634 4.329 20 0 JIADMO c1cc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)cs1 ZINC001164751066 720848610 /nfs/dbraw/zinc/84/86/10/720848610.db2.gz YFAUBEHZUHVKTH-ZFGGDYGUSA-N 1 1 471.634 4.329 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc4cc(Cl)ccc43)CC[C@@H]2C1 ZINC001164852001 720862280 /nfs/dbraw/zinc/86/22/80/720862280.db2.gz BOGYQDJMJOIVSU-AUSIDOKSSA-N 1 1 452.986 4.124 20 0 JIADMO CCOC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164750080 720868078 /nfs/dbraw/zinc/86/80/78/720868078.db2.gz ITGDKARQQCJMPG-NVQXNPDNSA-N 1 1 485.028 4.062 20 0 JIADMO Cc1sc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1C ZINC001164748553 720875576 /nfs/dbraw/zinc/87/55/76/720875576.db2.gz FWRWMZCZNZIHKV-BKMJKUGQSA-N 1 1 463.651 4.458 20 0 JIADMO Clc1nc2ccoc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164747999 720875642 /nfs/dbraw/zinc/87/56/42/720875642.db2.gz DFLQDJUQVWEWPT-NTKDMRAZSA-N 1 1 453.974 4.026 20 0 JIADMO Cc1sc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1C ZINC001164748555 720875946 /nfs/dbraw/zinc/87/59/46/720875946.db2.gz FWRWMZCZNZIHKV-GJZUVCINSA-N 1 1 463.651 4.458 20 0 JIADMO CSc1ncc(Cl)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755494 720877295 /nfs/dbraw/zinc/87/72/95/720877295.db2.gz XXKIPMWLOSJKQT-XXBNENTESA-N 1 1 460.047 4.002 20 0 JIADMO Clc1nc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CCCC2 ZINC001164748394 720878379 /nfs/dbraw/zinc/87/83/79/720878379.db2.gz DPQWLQVPGVBBNT-LVXARBLLSA-N 1 1 468.045 4.159 20 0 JIADMO Clc1cc2[nH]ccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753417 720878528 /nfs/dbraw/zinc/87/85/28/720878528.db2.gz PJRJDLSWVXRTAX-CPJSRVTESA-N 1 1 452.002 4.366 20 0 JIADMO COC(=O)c1ccc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164756599 720884762 /nfs/dbraw/zinc/88/47/62/720884762.db2.gz QTROEOTXYAIXCO-ABYGYWHVSA-N 1 1 486.616 4.172 20 0 JIADMO COC(=O)c1ccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc2c1 ZINC001164751790 720885743 /nfs/dbraw/zinc/88/57/43/720885743.db2.gz DRJASSXYWFZXMB-IRPSRAIASA-N 1 1 486.616 4.172 20 0 JIADMO Clc1ccc2ncc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164758888 720886371 /nfs/dbraw/zinc/88/63/71/720886371.db2.gz ZZUQHWBVEGEDEX-QFQXNSOFSA-N 1 1 464.013 4.433 20 0 JIADMO CSc1nc(Cl)ncc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757867 720889597 /nfs/dbraw/zinc/88/95/97/720889597.db2.gz VZUMKYAGLCJAFX-AUSIDOKSSA-N 1 1 460.047 4.002 20 0 JIADMO COc1cc2c(cc1Cl)ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164756271 720891167 /nfs/dbraw/zinc/89/11/67/720891167.db2.gz OZWJJKOXNQDKSM-IDISGSTGSA-N 1 1 494.039 4.442 20 0 JIADMO Nc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164752534 720895084 /nfs/dbraw/zinc/89/50/84/720895084.db2.gz DXJTVKGHKDVNSA-XXBNENTESA-N 1 1 477.987 4.012 20 0 JIADMO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755327 720902678 /nfs/dbraw/zinc/90/26/78/720902678.db2.gz KZSIFOKGKBADAL-AVRDEDQJSA-N 1 1 496.027 4.114 20 0 JIADMO Clc1ccnc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc12 ZINC001164754457 720903156 /nfs/dbraw/zinc/90/31/56/720903156.db2.gz IZROZFJAGBCQEB-RLWLMLJZSA-N 1 1 464.013 4.433 20 0 JIADMO Clc1nc2c(Cl)nccc2c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164746451 720906953 /nfs/dbraw/zinc/90/69/53/720906953.db2.gz AEPDAODDWQNENP-UQBPGWFLSA-N 1 1 499.446 4.482 20 0 JIADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ncnc4sc5c(c42)CCC5)C3)c1 ZINC001164753632 720908049 /nfs/dbraw/zinc/90/80/49/720908049.db2.gz RSIHHNLMUBGSIC-JIPXPUAJSA-N 1 1 475.662 4.330 20 0 JIADMO Fc1ccc(-c2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncn2)cc1 ZINC001164751298 720915817 /nfs/dbraw/zinc/91/58/17/720915817.db2.gz LDNRPWAXEHUSMU-UFHPHHKVSA-N 1 1 473.596 4.433 20 0 JIADMO COc1ccccc1-c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753140 720915897 /nfs/dbraw/zinc/91/58/97/720915897.db2.gz QJLXPHTWODAORC-GIGWZHCTSA-N 1 1 485.632 4.302 20 0 JIADMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(-c2ccco2)n1 ZINC001164754633 720920417 /nfs/dbraw/zinc/92/04/17/720920417.db2.gz WLRKFFOLRXWWAC-KCWPFWIISA-N 1 1 459.594 4.195 20 0 JIADMO Fc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1-c1ccsc1 ZINC001164754696 720935150 /nfs/dbraw/zinc/93/51/50/720935150.db2.gz XLSWNUHPSVTLCQ-NVQXNPDNSA-N 1 1 479.625 4.494 20 0 JIADMO Fc1ccc2c(c1)[nH]c1ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164748029 720938778 /nfs/dbraw/zinc/93/87/78/720938778.db2.gz FGCOTOFFSVFWOK-LYZGTLIUSA-N 1 1 486.595 4.400 20 0 JIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)[C@@H]2C ZINC001164860305 721007880 /nfs/dbraw/zinc/00/78/80/721007880.db2.gz KTPYYFRHTLDBTI-OAHLLOKOSA-N 1 1 461.948 4.355 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)n1 ZINC001164772567 721054615 /nfs/dbraw/zinc/05/46/15/721054615.db2.gz PWWSCFRABZQHSE-RTWAWAEBSA-N 1 1 478.666 4.233 20 0 JIADMO FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866378 721097343 /nfs/dbraw/zinc/09/73/43/721097343.db2.gz SXOOXWHLEBGQRX-CVEARBPZSA-N 1 1 480.346 4.356 20 0 JIADMO Fc1ccc(-c2nnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164880727 721144190 /nfs/dbraw/zinc/14/41/90/721144190.db2.gz XIMAEENIZGEQLE-GOTSBHOMSA-N 1 1 455.537 4.311 20 0 JIADMO c1cncc(CO[C@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)CC[N@H+]3C2)c1 ZINC001164879002 721144366 /nfs/dbraw/zinc/14/43/66/721144366.db2.gz RFWMQVWUNCXJHK-RTWAWAEBSA-N 1 1 484.629 4.117 20 0 JIADMO Cc1ccc2nc(-c3ccccc3F)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164773265 721154529 /nfs/dbraw/zinc/15/45/29/721154529.db2.gz XPBLABBCWQIXFY-SFTDATJTSA-N 1 1 456.569 4.436 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164765690 721159991 /nfs/dbraw/zinc/15/99/91/721159991.db2.gz KCNIEELVUDJVSR-MOPGFXCFSA-N 1 1 458.944 4.034 20 0 JIADMO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879120 721164550 /nfs/dbraw/zinc/16/45/50/721164550.db2.gz RVPVMMQIVMNYPR-NHCUHLMSSA-N 1 1 471.939 4.217 20 0 JIADMO Clc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870279 721184740 /nfs/dbraw/zinc/18/47/40/721184740.db2.gz CGPBIIZELHKWOD-ICSRJNTNSA-N 1 1 472.376 4.450 20 0 JIADMO Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164881190 721185019 /nfs/dbraw/zinc/18/50/19/721185019.db2.gz ZOAVBJJRCJAPIN-TZIWHRDSSA-N 1 1 451.958 4.105 20 0 JIADMO Clc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164876389 721185105 /nfs/dbraw/zinc/18/51/05/721185105.db2.gz MDBVPSXEJAIXDQ-MSOLQXFVSA-N 1 1 472.376 4.450 20 0 JIADMO CCN1C(C)=N[C@@]2(CC[C@H]3CN(c4nc(C[NH+](CC)CC)nc5sc(C)c(C)c54)C[C@H]32)C1=O ZINC001164871798 721232318 /nfs/dbraw/zinc/23/23/18/721232318.db2.gz ICTQSTBTNDFNLI-OSWQYVSFSA-N 1 1 468.671 4.015 20 0 JIADMO COc1cccc(-c2cc(C(F)(F)N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164761397 721245099 /nfs/dbraw/zinc/24/50/99/721245099.db2.gz HYDRFOVKHDQYTK-RTBURBONSA-N 1 1 488.970 4.042 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CC[C@@H]5O[C@H](COc6cccnc6)CC[C@H]54)ccc3C2)cc1 ZINC001164879719 721247711 /nfs/dbraw/zinc/24/77/11/721247711.db2.gz YDNJAJYCQSBQHX-OIKPOIBNSA-N 1 1 456.590 4.240 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(-c5cccc(F)c5)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164762949 721248113 /nfs/dbraw/zinc/24/81/13/721248113.db2.gz LUHAQMYMIAWLQM-MSOLQXFVSA-N 1 1 476.934 4.173 20 0 JIADMO Cc1sc2nc(-c3cccs3)nc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c2c1C ZINC001164872967 721284789 /nfs/dbraw/zinc/28/47/89/721284789.db2.gz KDIQQZXVFDKGLB-UHFFFAOYSA-N 1 1 499.706 4.044 20 0 JIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)CC2 ZINC001164875497 721326796 /nfs/dbraw/zinc/32/67/96/721326796.db2.gz LQOUDTAMJWRPBG-UHFFFAOYSA-N 1 1 450.917 4.493 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(F)cc4ncnc(Cl)c43)C2)C1 ZINC001164787033 721363419 /nfs/dbraw/zinc/36/34/19/721363419.db2.gz XKZFWNJVPFZQEI-QHCPKHFHSA-N 1 1 459.953 4.146 20 0 JIADMO CSc1ccc2ncnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164780126 721375107 /nfs/dbraw/zinc/37/51/07/721375107.db2.gz DSXQZPXWDNCWPY-DEOSSOPVSA-N 1 1 453.612 4.076 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C2)C1 ZINC001164786961 721376596 /nfs/dbraw/zinc/37/65/96/721376596.db2.gz VVLBEOWGOHKUHU-HSZRJFAPSA-N 1 1 480.987 4.492 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C2)C1 ZINC001164786961 721376604 /nfs/dbraw/zinc/37/66/04/721376604.db2.gz VVLBEOWGOHKUHU-HSZRJFAPSA-N 1 1 480.987 4.492 20 0 JIADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780183 721377033 /nfs/dbraw/zinc/37/70/33/721377033.db2.gz FHTKZRPBTSBVET-NSYGIPOTSA-N 1 1 452.603 4.195 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C3)O2)CC1 ZINC001164889438 721404685 /nfs/dbraw/zinc/40/46/85/721404685.db2.gz QNIDVQILSHVVLL-OFNKIYASSA-N 1 1 464.988 4.199 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cccc5c(Cl)nccc54)C3)O2)CC1 ZINC001164897846 721426188 /nfs/dbraw/zinc/42/61/88/721426188.db2.gz UUKFGADQZKPJFH-MBSDFSHPSA-N 1 1 464.988 4.199 20 0 JIADMO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2c1C ZINC001164894909 721435084 /nfs/dbraw/zinc/43/50/84/721435084.db2.gz NEZQGYSTHSUCND-AMGIVPHBSA-N 1 1 492.693 4.136 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccsc5)nc5ccccc54)C3)O2)CC1 ZINC001164899298 721436440 /nfs/dbraw/zinc/43/64/40/721436440.db2.gz YGPOTVSMZYXWHD-RLWLMLJZSA-N 1 1 463.651 4.124 20 0 JIADMO Cn1cnc2c1[C@H](COCc1cccnc1)N(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164784415 721440988 /nfs/dbraw/zinc/44/09/88/721440988.db2.gz PRDASUNFWNSFOC-MHZLTWQESA-N 1 1 480.616 4.089 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C3)O2)CC1 ZINC001164892284 721443637 /nfs/dbraw/zinc/44/36/37/721443637.db2.gz HYNAURHJSACEHK-URXFXBBRSA-N 1 1 492.014 4.107 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc(-c5ccc(F)c(Cl)c5)n4)C3)O2)CC1 ZINC001164896173 721445795 /nfs/dbraw/zinc/44/57/95/721445795.db2.gz QTWUHQDZGYDNSI-UUOWRZLLSA-N 1 1 494.442 4.355 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C3)O2)CC1 ZINC001164885503 721453411 /nfs/dbraw/zinc/45/34/11/721453411.db2.gz FAJDLFSAZZVLOR-NTKDMRAZSA-N 1 1 483.047 4.314 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc3sc(C)c(C)c31)CC2 ZINC001164783712 721458864 /nfs/dbraw/zinc/45/88/64/721458864.db2.gz FYICNJZGXHEBOW-OAQYLSRUSA-N 1 1 458.672 4.350 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(-c3c[nH]c4ccccc34)n1)CC2 ZINC001164787827 721459077 /nfs/dbraw/zinc/45/90/77/721459077.db2.gz SNPRQGZKAKBOGZ-QFIPXVFZSA-N 1 1 475.637 4.359 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc3cc(Cl)ccc31)CC2 ZINC001164787480 721459934 /nfs/dbraw/zinc/45/99/34/721459934.db2.gz RAEOUBOIXZJRBX-OAQYLSRUSA-N 1 1 459.034 4.326 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)c3cc(OC)ccc3n1)CC2 ZINC001164789255 721459969 /nfs/dbraw/zinc/45/99/69/721459969.db2.gz WBLPAIPMSUMDOY-QFIPXVFZSA-N 1 1 453.627 4.286 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc(C)c(C)c(Cl)n1)CC2 ZINC001164790221 721462552 /nfs/dbraw/zinc/46/25/52/721462552.db2.gz ZUKQKCVHLHRBIE-IBGZPJMESA-N 1 1 473.008 4.026 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(C(C)(C)C)n1)CC2 ZINC001164783304 721464401 /nfs/dbraw/zinc/46/44/01/721464401.db2.gz DFQJDCFVKPOOGT-IBGZPJMESA-N 1 1 451.055 4.161 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(-c3cccc(C)c3)nn1)CC2 ZINC001164787976 721467391 /nfs/dbraw/zinc/46/73/91/721467391.db2.gz HIUUNPSEIDEJMT-DEOSSOPVSA-N 1 1 450.627 4.186 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(-c3ccccn3)nc3sccc31)CC2 ZINC001164788753 721470981 /nfs/dbraw/zinc/47/09/81/721470981.db2.gz JOONNGHWJBJDSU-NRFANRHFSA-N 1 1 493.677 4.487 20 0 JIADMO CCOC(=O)c1sc2ncnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2c1C ZINC001164792532 721489825 /nfs/dbraw/zinc/48/98/25/721489825.db2.gz KDHJDJZNCGDWIC-UHFFFAOYSA-N 1 1 465.623 4.452 20 0 JIADMO COC(=O)c1ccc2nc(Cl)c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc2c1 ZINC001164791856 721490486 /nfs/dbraw/zinc/49/04/86/721490486.db2.gz FWMBNSXCNAKYLY-UHFFFAOYSA-N 1 1 465.985 4.346 20 0 JIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)CC2 ZINC001164792297 721495581 /nfs/dbraw/zinc/49/55/81/721495581.db2.gz NFLCZTFGTWRVGC-UHFFFAOYSA-N 1 1 476.625 4.254 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1Cl ZINC001164897618 721522685 /nfs/dbraw/zinc/52/26/85/721522685.db2.gz GCVLZFBZZPLSJI-GOEBONIOSA-N 1 1 454.329 4.046 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1Cl ZINC001164897618 721522688 /nfs/dbraw/zinc/52/26/88/721522688.db2.gz GCVLZFBZZPLSJI-GOEBONIOSA-N 1 1 454.329 4.046 20 0 JIADMO Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)CC[N@H+]3C2)c1 ZINC001164905432 721555512 /nfs/dbraw/zinc/55/55/12/721555512.db2.gz HLGOKLXLHRQNIC-WBVHZDCISA-N 1 1 464.875 4.416 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)ccc2Oc2ccc(Cl)nn2)[C@H]2CCCO[C@H]12 ZINC001164805420 721576702 /nfs/dbraw/zinc/57/67/02/721576702.db2.gz NTGOIHNLBRYSSY-NRYAXDJKSA-N 1 1 469.948 4.325 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)ncnc32)[C@H]2CCCO[C@H]12 ZINC001164806158 721580842 /nfs/dbraw/zinc/58/08/42/721580842.db2.gz MCDRPWCDKBZHSL-ZVDOUQERSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cccc3c(Cl)ncnc32)[C@H]2CCCO[C@H]12 ZINC001164806158 721580846 /nfs/dbraw/zinc/58/08/46/721580846.db2.gz MCDRPWCDKBZHSL-ZVDOUQERSA-N 1 1 459.928 4.091 20 0 JIADMO O=C(NC1CCCCC1)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904286 721586102 /nfs/dbraw/zinc/58/61/02/721586102.db2.gz FDFMAGABOABUMA-VWLOTQADSA-N 1 1 469.580 4.277 20 0 JIADMO FC(F)(c1nc(Cl)cc(Cl)n1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905431 721586198 /nfs/dbraw/zinc/58/61/98/721586198.db2.gz JDXBTJKLJNDLMV-KRWDZBQOSA-N 1 1 464.294 4.461 20 0 JIADMO COc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc(Cl)n1 ZINC001164904294 721586397 /nfs/dbraw/zinc/58/63/97/721586397.db2.gz FHXHINVCBILDNF-LJQANCHMSA-N 1 1 458.887 4.421 20 0 JIADMO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164805215 721589971 /nfs/dbraw/zinc/58/99/71/721589971.db2.gz KYMZUQXKRPMFOD-PMVMPFDFSA-N 1 1 465.985 4.494 20 0 JIADMO Cc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164805215 721589973 /nfs/dbraw/zinc/58/99/73/721589973.db2.gz KYMZUQXKRPMFOD-PMVMPFDFSA-N 1 1 465.985 4.494 20 0 JIADMO FC1(F)CCN(c2cncc(OCc3ccccc3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908011 721692897 /nfs/dbraw/zinc/69/28/97/721692897.db2.gz XZHLPHKHWMLXAN-DEOSSOPVSA-N 1 1 451.521 4.188 20 0 JIADMO COC(=O)c1ccc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164906970 721699163 /nfs/dbraw/zinc/69/91/63/721699163.db2.gz PPXRQJABULFXTR-XMMPIXPASA-N 1 1 452.505 4.154 20 0 JIADMO CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907381 721704777 /nfs/dbraw/zinc/70/47/77/721704777.db2.gz RIWLCJTUKWDGAB-RUZDIDTESA-N 1 1 498.578 4.111 20 0 JIADMO COc1cccc(-c2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)c1 ZINC001164907335 721716015 /nfs/dbraw/zinc/71/60/15/721716015.db2.gz QZDBPYIAOCSEGB-DEOSSOPVSA-N 1 1 451.521 4.285 20 0 JIADMO CC(C)C(=O)N1CCC[C@@]12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001165007695 721726771 /nfs/dbraw/zinc/72/67/71/721726771.db2.gz GKXGDOAWXIUNCH-SANMLTNESA-N 1 1 467.683 4.393 20 0 JIADMO COc1ccccc1-c1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164909122 721727212 /nfs/dbraw/zinc/72/72/12/721727212.db2.gz BYKNVYXBWOFUGY-DEOSSOPVSA-N 1 1 451.521 4.285 20 0 JIADMO CCOC(=O)c1cnc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1Cl ZINC001164907966 721745289 /nfs/dbraw/zinc/74/52/89/721745289.db2.gz FLRKGNJZUCUPAO-UHFFFAOYSA-N 1 1 491.926 4.034 20 0 JIADMO CCOC(=O)c1cnc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1Cl ZINC001164907966 721745290 /nfs/dbraw/zinc/74/52/90/721745290.db2.gz FLRKGNJZUCUPAO-UHFFFAOYSA-N 1 1 491.926 4.034 20 0 JIADMO CCOC(Cc1c(Cl)ncnc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1)OCC ZINC001164909040 721754272 /nfs/dbraw/zinc/75/42/72/721754272.db2.gz DHPRMPNISOSMIT-UHFFFAOYSA-N 1 1 486.016 4.254 20 0 JIADMO CCOC(Cc1c(Cl)ncnc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1)OCC ZINC001164909040 721754276 /nfs/dbraw/zinc/75/42/76/721754276.db2.gz DHPRMPNISOSMIT-UHFFFAOYSA-N 1 1 486.016 4.254 20 0 JIADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164911691 721758215 /nfs/dbraw/zinc/75/82/15/721758215.db2.gz XDOSOBULKOJOMV-UHFFFAOYSA-N 1 1 484.604 4.198 20 0 JIADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164911691 721758216 /nfs/dbraw/zinc/75/82/16/721758216.db2.gz XDOSOBULKOJOMV-UHFFFAOYSA-N 1 1 484.604 4.198 20 0 JIADMO Cc1ccc(-c2csc3ncnc(N4CCO[C@@]5(C4)COCC[N@H+](Cc4cccnc4)C5)c23)cc1 ZINC001164910251 721779370 /nfs/dbraw/zinc/77/93/70/721779370.db2.gz AXWPUXGXDBEVBS-MHZLTWQESA-N 1 1 487.629 4.170 20 0 JIADMO Cc1ccc(-c2csc3ncnc(N4CCO[C@@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)c23)cc1 ZINC001164910251 721779378 /nfs/dbraw/zinc/77/93/78/721779378.db2.gz AXWPUXGXDBEVBS-MHZLTWQESA-N 1 1 487.629 4.170 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCO[C@@H]3[C@H](OCCCn4cccn4)CC[C@H]32)n1 ZINC001165015919 721781884 /nfs/dbraw/zinc/78/18/84/721781884.db2.gz BRIKZOQJKXRNEQ-LGVFNWMJSA-N 1 1 498.697 4.190 20 0 JIADMO Cc1ccc(-c2nnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c3ccccc32)cc1C ZINC001164915682 721793859 /nfs/dbraw/zinc/79/38/59/721793859.db2.gz XOYMTIVWKVAURN-PMERELPUSA-N 1 1 495.627 4.416 20 0 JIADMO Cc1ccc(-c2nnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c3ccccc32)cc1C ZINC001164915682 721793866 /nfs/dbraw/zinc/79/38/66/721793866.db2.gz XOYMTIVWKVAURN-PMERELPUSA-N 1 1 495.627 4.416 20 0 JIADMO c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)n1 ZINC001164918618 721809466 /nfs/dbraw/zinc/80/94/66/721809466.db2.gz RWFOHIGYDWUEOW-WFIHMLKPSA-N 1 1 476.646 4.297 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4c3ncn4Cc3ccccc3F)C[C@@H]21 ZINC001165018762 721816689 /nfs/dbraw/zinc/81/66/89/721816689.db2.gz AABYGBDWEZWXPN-WNOPAQSVSA-N 1 1 471.584 4.146 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)c2ncc(C)n2CCN3C)n1 ZINC001164917854 721819377 /nfs/dbraw/zinc/81/93/77/721819377.db2.gz JSYKEOJQKQSFNR-UHFFFAOYSA-N 1 1 467.687 4.096 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc4c(Cl)ncnc4c3)C[C@H]21 ZINC001165027153 721820933 /nfs/dbraw/zinc/82/09/33/721820933.db2.gz SQNCPSLBFOSMLR-QKYXUNIQSA-N 1 1 458.944 4.355 20 0 JIADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026146 721821405 /nfs/dbraw/zinc/82/14/05/721821405.db2.gz OFWCUYJWTFSIRI-QKYXUNIQSA-N 1 1 464.944 4.198 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc5c(c4)OCCCO5)nn3)C[C@@H]21 ZINC001165027034 721826823 /nfs/dbraw/zinc/82/68/23/721826823.db2.gz RCULETZDJKTXSF-UMXIMWEHSA-N 1 1 471.605 4.437 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)C[C@H]21 ZINC001165027514 721828999 /nfs/dbraw/zinc/82/89/99/721828999.db2.gz SMUUCBMOVXXLGE-BHIYHBOVSA-N 1 1 474.943 4.462 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc1Cl ZINC001165021575 721839522 /nfs/dbraw/zinc/83/95/22/721839522.db2.gz OVQNYFSILKEDHX-UHFFFAOYSA-N 1 1 483.943 4.185 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3COC[C@]3(COCc3ccccn3)C2)n1 ZINC001164926775 721840115 /nfs/dbraw/zinc/84/01/15/721840115.db2.gz RZWCPCDAVQHVGR-FNZWTVRRSA-N 1 1 481.666 4.215 20 0 JIADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc(-c2ccc(Cl)nc2)ccc1C1OCCCO1 ZINC001164920794 721874238 /nfs/dbraw/zinc/87/42/38/721874238.db2.gz ANAWZTRZXWACSS-VXKWHMMOSA-N 1 1 457.018 4.052 20 0 JIADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc(-c2ccc(Cl)nc2)ccc1C1OCCCO1 ZINC001164920794 721874239 /nfs/dbraw/zinc/87/42/39/721874239.db2.gz ANAWZTRZXWACSS-VXKWHMMOSA-N 1 1 457.018 4.052 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccnc(NC(=O)OC(C)(C)C)n4)CC3)C2)cc1 ZINC001164941053 721924210 /nfs/dbraw/zinc/92/42/10/721924210.db2.gz ZVYIAIOLWWVNPD-UHFFFAOYSA-N 1 1 453.587 4.003 20 0 JIADMO COc1cc2nc(C)nc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2cc1OC ZINC001164941019 721926561 /nfs/dbraw/zinc/92/65/61/721926561.db2.gz YUGNBSVFOPEAAY-UHFFFAOYSA-N 1 1 462.594 4.135 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)CC3)C2)cc1 ZINC001164939005 721929904 /nfs/dbraw/zinc/92/99/04/721929904.db2.gz GOLITYRIMVFRHT-UHFFFAOYSA-N 1 1 454.974 4.143 20 0 JIADMO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]12 ZINC001164946195 721965853 /nfs/dbraw/zinc/96/58/53/721965853.db2.gz MFZQISSNALNRSZ-PQHLKRTFSA-N 1 1 466.629 4.409 20 0 JIADMO COC(=O)CCN(Cc1ccco1)c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001165047989 721982620 /nfs/dbraw/zinc/98/26/20/721982620.db2.gz CGBYDCVQAMPVOJ-UHFFFAOYSA-N 1 1 454.596 4.329 20 0 JIADMO CC(C)(C)OC(=O)Nc1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c2[nH]cnc21 ZINC001164955870 722021109 /nfs/dbraw/zinc/02/11/09/722021109.db2.gz QFHZWKIUOKMLDD-UHFFFAOYSA-N 1 1 463.586 4.192 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@H]43)c2c1C ZINC001164956426 722029616 /nfs/dbraw/zinc/02/96/16/722029616.db2.gz GLHRXRFRXIZDND-KNKQGSTJSA-N 1 1 483.613 4.253 20 0 JIADMO C[NH+]1CCC(Oc2ccnc(N3CCC(c4nc5ccc(-c6cccnc6)cn5n4)CC3)c2)CC1 ZINC001164956990 722050069 /nfs/dbraw/zinc/05/00/69/722050069.db2.gz GMYSKSCJVFHNGH-UHFFFAOYSA-N 1 1 469.593 4.043 20 0 JIADMO FC(F)(c1cc(Cl)ncc1Cl)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959541 722052677 /nfs/dbraw/zinc/05/26/77/722052677.db2.gz MNTPVMSBUMUAPN-UHFFFAOYSA-N 1 1 457.352 4.447 20 0 JIADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963787 722055848 /nfs/dbraw/zinc/05/58/48/722055848.db2.gz KUABKEKAYCLYCE-UHFFFAOYSA-N 1 1 457.352 4.447 20 0 JIADMO C[C@H]1CCc2c(sc3ncnc(N4CCC5(CC4)COCC[N@@H+](Cc4ccncc4)C5)c23)C1 ZINC001164964268 722055926 /nfs/dbraw/zinc/05/59/26/722055926.db2.gz UHQMDXRUIMYONM-IBGZPJMESA-N 1 1 463.651 4.330 20 0 JIADMO FC(F)(Sc1ccc(Cl)nc1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966407 722062318 /nfs/dbraw/zinc/06/23/18/722062318.db2.gz SJYCZVJBRCPPJE-UHFFFAOYSA-N 1 1 454.974 4.387 20 0 JIADMO O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164966345 722065138 /nfs/dbraw/zinc/06/51/38/722065138.db2.gz REWKGEPDLDQBNV-RBUKOAKNSA-N 1 1 494.690 4.116 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C[C@@H](C(=O)NC5CCC5)C[C@@H]4C3)c2c1C ZINC001164973282 722085523 /nfs/dbraw/zinc/08/55/23/722085523.db2.gz NIBDVXPLQSKRGU-ACDBMABISA-N 1 1 467.683 4.425 20 0 JIADMO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164981404 722097350 /nfs/dbraw/zinc/09/73/50/722097350.db2.gz OBMINHSMGYCPCN-BXTSTYNKSA-N 1 1 467.617 4.186 20 0 JIADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)CC[C@@H]3C2)c1 ZINC001164982738 722141430 /nfs/dbraw/zinc/14/14/30/722141430.db2.gz SHCRMMKGVFSKLS-GGAORHGYSA-N 1 1 498.656 4.364 20 0 JIADMO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973816 722152736 /nfs/dbraw/zinc/15/27/36/722152736.db2.gz MGIGTCHWXTXMRX-WBVHZDCISA-N 1 1 476.877 4.421 20 0 JIADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCC[C@@]4(C[C@H](OCC5CCCC5)CO4)C3)C2)cc1 ZINC001164977581 722164608 /nfs/dbraw/zinc/16/46/08/722164608.db2.gz GANXDCMOFRBAAX-RBJSKKJNSA-N 1 1 462.638 4.370 20 0 JIADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCC[C@@]4(C[C@H](OCC5CCCC5)CO4)C3)C2)cc1 ZINC001164977581 722164611 /nfs/dbraw/zinc/16/46/11/722164611.db2.gz GANXDCMOFRBAAX-RBJSKKJNSA-N 1 1 462.638 4.370 20 0 JIADMO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CC(OCC4CC4)C3)CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164977976 722172697 /nfs/dbraw/zinc/17/26/97/722172697.db2.gz OQIWVMSGPUJMON-OAQYLSRUSA-N 1 1 484.685 4.056 20 0 JIADMO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]cnc5c4ccn5Cc4ccccc4)CC[C@@H]32)cs1 ZINC001164985865 722183001 /nfs/dbraw/zinc/18/30/01/722183001.db2.gz BZCIFPFFWUGTQT-BJKOFHAPSA-N 1 1 474.634 4.114 20 0 JIADMO CCOC(=O)c1cnc(C(F)(F)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164995185 722192314 /nfs/dbraw/zinc/19/23/14/722192314.db2.gz SIXJUEHXFMFTJU-NRFANRHFSA-N 1 1 468.907 4.236 20 0 JIADMO CCOC(=O)c1cnc(C(F)(F)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1Cl ZINC001164995185 722192317 /nfs/dbraw/zinc/19/23/17/722192317.db2.gz SIXJUEHXFMFTJU-NRFANRHFSA-N 1 1 468.907 4.236 20 0 JIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncnc4c2ncn4Cc2ccccc2F)C3)c1 ZINC001164995936 722203561 /nfs/dbraw/zinc/20/35/61/722203561.db2.gz QBGLOQGGAHCINP-SANMLTNESA-N 1 1 460.532 4.398 20 0 JIADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc21 ZINC001164994046 722207206 /nfs/dbraw/zinc/20/72/06/722207206.db2.gz DULUCKPTZLCQHJ-SANMLTNESA-N 1 1 491.592 4.052 20 0 JIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2c(Cl)nnc(Cl)c2N2CCOCC2)C3)c1 ZINC001164999079 722214088 /nfs/dbraw/zinc/21/40/88/722214088.db2.gz ZKMQDONPVKKQMP-JOCHJYFZSA-N 1 1 466.388 4.004 20 0 JIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2c(Cl)nnc(Cl)c2N2CCOCC2)C3)c1 ZINC001164999079 722214090 /nfs/dbraw/zinc/21/40/90/722214090.db2.gz ZKMQDONPVKKQMP-JOCHJYFZSA-N 1 1 466.388 4.004 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1 ZINC001164998015 722220324 /nfs/dbraw/zinc/22/03/24/722220324.db2.gz GNVVLJBXFVQKPO-AJTFRIOCSA-N 1 1 462.594 4.381 20 0 JIADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4sc(-c5ccccc5)cc42)CC3)CC1 ZINC001164996652 722236194 /nfs/dbraw/zinc/23/61/94/722236194.db2.gz HRLBLSCZBKZVAZ-UHFFFAOYSA-N 1 1 492.052 4.159 20 0 JIADMO CCOC(=O)c1cc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)[nH]c1C ZINC001354544989 1069319224 /nfs/dbraw/zinc/31/92/24/1069319224.db2.gz DPULMBDHSZHENN-GOSISDBHSA-N 1 1 451.489 4.026 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCCC[C@@H](SC)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001300651217 1069334488 /nfs/dbraw/zinc/33/44/88/1069334488.db2.gz UIHMRRZFFCNCFP-AZUAARDMSA-N 1 1 459.660 4.070 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCCC[C@@H](SC)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001300651220 1069334779 /nfs/dbraw/zinc/33/47/79/1069334779.db2.gz UIHMRRZFFCNCFP-UYAOXDASSA-N 1 1 459.660 4.070 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001300658423 1069361154 /nfs/dbraw/zinc/36/11/54/1069361154.db2.gz DRGNGMPZEXEFQR-XUZZJYLKSA-N 1 1 485.673 4.237 20 0 JIADMO COc1ccccc1SCc1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCOC(C)(C)C ZINC001300670746 1069403417 /nfs/dbraw/zinc/40/34/17/1069403417.db2.gz WVONEURIFYCTOH-RTBURBONSA-N 1 1 459.660 4.067 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001300674930 1069416914 /nfs/dbraw/zinc/41/69/14/1069416914.db2.gz BVIDOODDNUJYGH-VXKWHMMOSA-N 1 1 487.714 4.420 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001359351629 1069434085 /nfs/dbraw/zinc/43/40/85/1069434085.db2.gz SMUHIKCASKRJQJ-JOCHJYFZSA-N 1 1 496.700 4.301 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001359351718 1069435307 /nfs/dbraw/zinc/43/53/07/1069435307.db2.gz VZFNNRIXBYXQNV-UHFFFAOYSA-N 1 1 477.028 4.059 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001359354572 1069439717 /nfs/dbraw/zinc/43/97/17/1069439717.db2.gz RBXOZSYWDYDMTP-NZQKXSOJSA-N 1 1 496.700 4.041 20 0 JIADMO CC(=O)N1CC[C@H](CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001359363258 1069455849 /nfs/dbraw/zinc/45/58/49/1069455849.db2.gz NZKBANQKKAMKHX-XMMPIXPASA-N 1 1 496.700 4.043 20 0 JIADMO CC(=O)N1CCC(Cn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001359365870 1069461555 /nfs/dbraw/zinc/46/15/55/1069461555.db2.gz NXHGJGXXGNJYFC-ATIYNZHBSA-N 1 1 480.701 4.224 20 0 JIADMO CC(=O)N1CCCN(c2nnc(COc3cc(C)ccc3C)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359378432 1069483436 /nfs/dbraw/zinc/48/34/36/1069483436.db2.gz OKGRUDJEUQNLAH-DEOSSOPVSA-N 1 1 496.700 4.187 20 0 JIADMO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)[C@@H](C)C1 ZINC001359397595 1069504011 /nfs/dbraw/zinc/50/40/11/1069504011.db2.gz FRUWOJZLCXPHJV-LADGPHEKSA-N 1 1 498.741 4.304 20 0 JIADMO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001359413454 1069534258 /nfs/dbraw/zinc/53/42/58/1069534258.db2.gz ZMOPFUKFYXTOKC-QUVATAORSA-N 1 1 481.689 4.044 20 0 JIADMO CC(=O)N[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001359423657 1069547944 /nfs/dbraw/zinc/54/79/44/1069547944.db2.gz NZXNHWUQZJSCFG-DHLKQENFSA-N 1 1 480.701 4.069 20 0 JIADMO CC(C)(C)c1ccc(OCc2nnc(N3CC[N@H+]4CCCC[C@H]4C3)n2CC(F)(F)F)cc1 ZINC001359497907 1069741465 /nfs/dbraw/zinc/74/14/65/1069741465.db2.gz HTFGZPGSJNYPSZ-SFHVURJKSA-N 1 1 451.537 4.391 20 0 JIADMO CC(C)(C)c1nccc(CCCn2c([C@H]3CCCO3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC001359501157 1069762695 /nfs/dbraw/zinc/76/26/95/1069762695.db2.gz WFLHDNDOMZFRMV-OAQYLSRUSA-N 1 1 469.678 4.161 20 0 JIADMO CC(C)(C)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001359503020 1069768413 /nfs/dbraw/zinc/76/84/13/1069768413.db2.gz DFGPVQPQOIDUQG-ZDUSSCGKSA-N 1 1 453.475 4.381 20 0 JIADMO CC(C)(C)[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001359519473 1069806230 /nfs/dbraw/zinc/80/62/30/1069806230.db2.gz JLVWUQROZQXZBI-HKUYNNGSSA-N 1 1 493.494 4.145 20 0 JIADMO CC(C)(C)[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001359520092 1069807541 /nfs/dbraw/zinc/80/75/41/1069807541.db2.gz ZBFFJAWBVXQJAE-PMACEKPBSA-N 1 1 461.054 4.103 20 0 JIADMO CC(C)(C)[C@H]1CCN(c2nnc(CCCc3ccccc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001359521055 1069808290 /nfs/dbraw/zinc/80/82/90/1069808290.db2.gz QXNFXRABJPYMHG-QHCPKHFHSA-N 1 1 453.675 4.437 20 0 JIADMO CC(C)(C)[C@H]1CCN(c2nnc(CCCc3ccccc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001359521055 1069808291 /nfs/dbraw/zinc/80/82/91/1069808291.db2.gz QXNFXRABJPYMHG-QHCPKHFHSA-N 1 1 453.675 4.437 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCC[C@@H](Nc3ccccc3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001359535372 1069829062 /nfs/dbraw/zinc/82/90/62/1069829062.db2.gz PUBKJZJPCPDGSK-JOCHJYFZSA-N 1 1 454.663 4.058 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCC[C@@H](Nc3ccccc3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001359535372 1069829063 /nfs/dbraw/zinc/82/90/63/1069829063.db2.gz PUBKJZJPCPDGSK-JOCHJYFZSA-N 1 1 454.663 4.058 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCC(=O)NCc1ccccc1 ZINC001359537435 1069832442 /nfs/dbraw/zinc/83/24/42/1069832442.db2.gz YGHXCBDUJJXZHY-UHFFFAOYSA-N 1 1 466.674 4.028 20 0 JIADMO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCCSc1ccccc1 ZINC001359540926 1069838159 /nfs/dbraw/zinc/83/81/59/1069838159.db2.gz LCBCAUAOLFDGKF-OAQYLSRUSA-N 1 1 457.688 4.350 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001359539914 1069837103 /nfs/dbraw/zinc/83/71/03/1069837103.db2.gz AFNXLOFTCLXMEV-QFIPXVFZSA-N 1 1 492.634 4.116 20 0 JIADMO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1(C)C ZINC001300793797 1069844342 /nfs/dbraw/zinc/84/43/42/1069844342.db2.gz BJMLJNLGTWKDBR-NNMXDRDESA-N 1 1 459.610 4.150 20 0 JIADMO CO[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1(C)C ZINC001300793799 1069844365 /nfs/dbraw/zinc/84/43/65/1069844365.db2.gz BJMLJNLGTWKDBR-WOIUINJBSA-N 1 1 459.610 4.150 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc(CCc3ccccc3)n2CCCOC(F)(F)F)CC1 ZINC001359548643 1069855555 /nfs/dbraw/zinc/85/55/55/1069855555.db2.gz KJLIPRTUPSCZNT-UHFFFAOYSA-N 1 1 453.553 4.300 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001359548882 1069856619 /nfs/dbraw/zinc/85/66/19/1069856619.db2.gz ULTBWLSELDBAFH-UHFFFAOYSA-N 1 1 484.664 4.158 20 0 JIADMO CC(C)(C)NC(=O)CCn1c(C2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001359551706 1069861102 /nfs/dbraw/zinc/86/11/02/1069861102.db2.gz SDGDEZIIJYVNSD-UHFFFAOYSA-N 1 1 470.637 4.092 20 0 JIADMO CC(C)(C)OC(=O)NCCCn1c(-c2ccccc2Cl)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001359571535 1069944038 /nfs/dbraw/zinc/94/40/38/1069944038.db2.gz LFMAAKBATKEYOU-GOSISDBHSA-N 1 1 475.037 4.188 20 0 JIADMO CC(C)(Cn1c(-c2ccc(F)cc2Br)nnc1N1CCCCCC1)[NH+]1CCOCC1 ZINC001359593935 1070039108 /nfs/dbraw/zinc/03/91/08/1070039108.db2.gz HFUZQSSQCYUCJR-UHFFFAOYSA-N 1 1 480.426 4.338 20 0 JIADMO CC(C)(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC001359594041 1070039743 /nfs/dbraw/zinc/03/97/43/1070039743.db2.gz LQLPEFJHNROQEW-HNNXBMFYSA-N 1 1 489.945 4.485 20 0 JIADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001359620689 1070094609 /nfs/dbraw/zinc/09/46/09/1070094609.db2.gz WQBKNQQYSVIEJS-ISKFKSNPSA-N 1 1 466.674 4.341 20 0 JIADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001359623621 1070103999 /nfs/dbraw/zinc/10/39/99/1070103999.db2.gz ZWWPXBZTJPFZFN-QPPBQGQZSA-N 1 1 480.701 4.055 20 0 JIADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC001359623623 1070103518 /nfs/dbraw/zinc/10/35/18/1070103518.db2.gz ZWWPXBZTJPFZFN-XUZZJYLKSA-N 1 1 480.701 4.055 20 0 JIADMO CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+](C)C1CCCCC1 ZINC001359635097 1070162316 /nfs/dbraw/zinc/16/23/16/1070162316.db2.gz PJLDDCDQAXMCML-UHFFFAOYSA-N 1 1 461.054 4.071 20 0 JIADMO CC(C)C(=O)NCCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001359639054 1070172196 /nfs/dbraw/zinc/17/21/96/1070172196.db2.gz QCLPTSRICOXTAH-GOSISDBHSA-N 1 1 487.073 4.315 20 0 JIADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001359656181 1070233115 /nfs/dbraw/zinc/23/31/15/1070233115.db2.gz LFNUYUKPMHBHSI-OAQYLSRUSA-N 1 1 466.674 4.197 20 0 JIADMO CC(C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1Cl)[NH+]1CCOCC1 ZINC001359661926 1070279427 /nfs/dbraw/zinc/27/94/27/1070279427.db2.gz QSOZAAQNFMNCPQ-FCHUYYIVSA-N 1 1 462.038 4.166 20 0 JIADMO 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CSCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001316471442 1066378473 /nfs/dbraw/zinc/37/84/73/1066378473.db2.gz AUJWFBINCKEIIZ-ZIFCJYIRSA-N 1 1 450.052 4.498 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(c3ccc(Br)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC001333165630 1066384501 /nfs/dbraw/zinc/38/45/01/1066384501.db2.gz HTTJAUQXYIOUEV-PKTZIBPZSA-N 1 1 473.459 4.403 20 0 JIADMO C[C@@H](C1CCCCC1)N(C)c1nnc(CCOc2ccccc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001316482400 1066399030 /nfs/dbraw/zinc/39/90/30/1066399030.db2.gz VLPJQTLREOPPCW-QFIPXVFZSA-N 1 1 469.674 4.415 20 0 JIADMO C[C@@H](C1CCCCC1)N(C)c1nnc(CCOc2ccccc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001316482400 1066399048 /nfs/dbraw/zinc/39/90/48/1066399048.db2.gz VLPJQTLREOPPCW-QFIPXVFZSA-N 1 1 469.674 4.415 20 0 JIADMO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)C[C@H](C)C1(F)F ZINC001316499697 1066457911 /nfs/dbraw/zinc/45/79/11/1066457911.db2.gz DFGFVZGCSPOWKN-YZLZLFLDSA-N 1 1 467.992 4.466 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C[C@H](C)O1 ZINC001316503635 1066470535 /nfs/dbraw/zinc/47/05/35/1066470535.db2.gz RMLRPCBKLWPYMB-PFDCGNQRSA-N 1 1 491.721 4.295 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C[C@H](C)O1 ZINC001316503635 1066470552 /nfs/dbraw/zinc/47/05/52/1066470552.db2.gz RMLRPCBKLWPYMB-PFDCGNQRSA-N 1 1 491.721 4.295 20 0 JIADMO 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 1066472887 /nfs/dbraw/zinc/47/28/87/1066472887.db2.gz GZUZDLKXDGSBPT-ADYITMSISA-N 1 1 488.746 4.266 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(C)(C)C)n2Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC001316504066 1066473551 /nfs/dbraw/zinc/47/35/51/1066473551.db2.gz IIBVMUBUKDJTAL-CALCHBBNSA-N 1 1 453.553 4.188 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(C)(C)C)n2Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC001316504066 1066473560 /nfs/dbraw/zinc/47/35/60/1066473560.db2.gz IIBVMUBUKDJTAL-CALCHBBNSA-N 1 1 453.553 4.188 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC3CCCC3)n2CC(F)(F)c2ccccc2)C[C@H](C)O1 ZINC001316505297 1066478100 /nfs/dbraw/zinc/47/81/00/1066478100.db2.gz PATJEXIPCBEWLD-BGYRXZFFSA-N 1 1 461.601 4.348 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC3CCCC3)n2CC(F)(F)c2ccccc2)C[C@H](C)O1 ZINC001316505297 1066478118 /nfs/dbraw/zinc/47/81/18/1066478118.db2.gz PATJEXIPCBEWLD-BGYRXZFFSA-N 1 1 461.601 4.348 20 0 JIADMO Clc1ccc(-c2nnc(N3CCC(Cl)=C(Cl)C3)n2CCC[NH+]2CCOCC2)cc1 ZINC001316508169 1066486269 /nfs/dbraw/zinc/48/62/69/1066486269.db2.gz SBGFGSCDUVMWHY-UHFFFAOYSA-N 1 1 456.805 4.220 20 0 JIADMO COc1ccc(C(NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c2ccc(OC)cc2)cc1 ZINC001337604670 1066498769 /nfs/dbraw/zinc/49/87/69/1066498769.db2.gz NTQBVWRTKQLCSR-UHFFFAOYSA-N 1 1 457.534 4.182 20 0 JIADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3nc(-c4ccc(F)cc4)n4c3CCCCC4)cc2)CC1 ZINC001337766190 1066509249 /nfs/dbraw/zinc/50/92/49/1066509249.db2.gz PNXMJPXBPIPVML-UHFFFAOYSA-N 1 1 475.568 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O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001338430829 1066554420 /nfs/dbraw/zinc/55/44/20/1066554420.db2.gz TYSFAFITGMMEPM-MRXNPFEDSA-N 1 1 496.409 4.303 20 0 JIADMO COC(=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c(OCC(F)(F)F)c1 ZINC001338478361 1066558103 /nfs/dbraw/zinc/55/81/03/1066558103.db2.gz RMOJLBMNWODALS-UHFFFAOYSA-N 1 1 479.499 4.463 20 0 JIADMO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC001339431612 1066578032 /nfs/dbraw/zinc/57/80/32/1066578032.db2.gz RFOZCQDTXAEAAX-FGCOXFRFSA-N 1 1 467.585 4.386 20 0 JIADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCCCCC1 ZINC001316585232 1066606460 /nfs/dbraw/zinc/60/64/60/1066606460.db2.gz PJOPUARGWMMCRU-IBGZPJMESA-N 1 1 479.467 4.043 20 0 JIADMO Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)OC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001343275007 1066606926 /nfs/dbraw/zinc/60/69/26/1066606926.db2.gz ZDJUOZDMKCYACU-INIZCTEOSA-N 1 1 450.988 4.476 20 0 JIADMO OCCCCCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001316588536 1066615786 /nfs/dbraw/zinc/61/57/86/1066615786.db2.gz RKDXNZXMMRPTRG-QGZVFWFLSA-N 1 1 482.854 4.198 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[C@@H](C4CCOCC4)C3)n2CCC[N@H+](C)C(C)C)c1 ZINC001492540933 1066641973 /nfs/dbraw/zinc/64/19/73/1066641973.db2.gz CABUKPNDSGOEPR-HSZRJFAPSA-N 1 1 455.647 4.149 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@]2(C)CCCO2)c1 ZINC001492543375 1066668132 /nfs/dbraw/zinc/66/81/32/1066668132.db2.gz JRAXOZANWIBWJK-SANMLTNESA-N 1 1 455.647 4.291 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3)CC2)cc1 ZINC001317834668 1066720450 /nfs/dbraw/zinc/72/04/50/1066720450.db2.gz LNGIOBBEOIDFAK-GOTSBHOMSA-N 1 1 483.678 4.010 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC[C@@H](C)CC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492545232 1066732293 /nfs/dbraw/zinc/73/22/93/1066732293.db2.gz IVXDQWNRFLJMAD-QPPBQGQZSA-N 1 1 455.647 4.149 20 0 JIADMO 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CC(C)(C)[NH+]1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)CC1 ZINC001317989513 1066835673 /nfs/dbraw/zinc/83/56/73/1066835673.db2.gz YARSZXXPDQQYKR-UHFFFAOYSA-N 1 1 474.030 4.275 20 0 JIADMO Cc1c(C(=O)Oc2ccc(Cl)c(C(F)(F)F)c2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001349398308 1066837050 /nfs/dbraw/zinc/83/70/50/1066837050.db2.gz MDNFTGFLSXCADH-UHFFFAOYSA-N 1 1 450.848 4.455 20 0 JIADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2c(F)ccc(C(F)(F)F)c2Br)C[C@H](C)O1 ZINC001349420439 1066839901 /nfs/dbraw/zinc/83/99/01/1066839901.db2.gz QIMINZMUVAOKEA-PHIMTYICSA-N 1 1 455.290 4.225 20 0 JIADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2c(F)ccc(C(F)(F)F)c2Br)C[C@H](C)O1 ZINC001349420439 1066839909 /nfs/dbraw/zinc/83/99/09/1066839909.db2.gz QIMINZMUVAOKEA-PHIMTYICSA-N 1 1 455.290 4.225 20 0 JIADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)CC1c2ccccc2Oc2ccccc21 ZINC001318017505 1066854425 /nfs/dbraw/zinc/85/44/25/1066854425.db2.gz SFEUQVOADKQZOW-UHFFFAOYSA-N 1 1 471.557 4.349 20 0 JIADMO CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001318019415 1066855528 /nfs/dbraw/zinc/85/55/28/1066855528.db2.gz JPJHZYXBSKFUJM-LJQANCHMSA-N 1 1 453.612 4.231 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001492546929 1066856006 /nfs/dbraw/zinc/85/60/06/1066856006.db2.gz IITNRSJNWDXLRX-VXKWHMMOSA-N 1 1 498.672 4.095 20 0 JIADMO O=C(c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318065195 1066881164 /nfs/dbraw/zinc/88/11/64/1066881164.db2.gz RTNMILWUKKHGIB-HSZRJFAPSA-N 1 1 475.614 4.465 20 0 JIADMO O=C(c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318065195 1066881168 /nfs/dbraw/zinc/88/11/68/1066881168.db2.gz RTNMILWUKKHGIB-HSZRJFAPSA-N 1 1 475.614 4.465 20 0 JIADMO COc1cc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)ccc1OCc1ccc(Br)cc1 ZINC001318065742 1066881480 /nfs/dbraw/zinc/88/14/80/1066881480.db2.gz ZSHNSRTYGMPVLI-HXUWFJFHSA-N 1 1 459.384 4.347 20 0 JIADMO S=c1n(CN2CCC[N@H+]3CCC[C@H]3C2)nc(Cc2cccs2)n1CCc1ccccc1 ZINC001318081609 1066889783 /nfs/dbraw/zinc/88/97/83/1066889783.db2.gz JWRAUNXNAFMKHK-NRFANRHFSA-N 1 1 453.681 4.437 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)C1 ZINC001318133928 1066916311 /nfs/dbraw/zinc/91/63/11/1066916311.db2.gz YKZHOEVCGIINNO-KRWDZBQOSA-N 1 1 458.400 4.472 20 0 JIADMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001318141195 1066920838 /nfs/dbraw/zinc/92/08/38/1066920838.db2.gz FQKPDWHVIUQSGS-LOSJGSFVSA-N 1 1 488.657 4.452 20 0 JIADMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001318141195 1066920848 /nfs/dbraw/zinc/92/08/48/1066920848.db2.gz FQKPDWHVIUQSGS-LOSJGSFVSA-N 1 1 488.657 4.452 20 0 JIADMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)C[C@@H](C)O1 ZINC001318183176 1066944662 /nfs/dbraw/zinc/94/46/62/1066944662.db2.gz KDTJXQUCNUTHOM-DNVFCKCGSA-N 1 1 459.594 4.012 20 0 JIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC001350389870 1066951812 /nfs/dbraw/zinc/95/18/12/1066951812.db2.gz VVWOHSWBTMLCCT-OAHLLOKOSA-N 1 1 452.530 4.121 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC001350389870 1066951824 /nfs/dbraw/zinc/95/18/24/1066951824.db2.gz VVWOHSWBTMLCCT-OAHLLOKOSA-N 1 1 452.530 4.121 20 0 JIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)C1 ZINC001318198304 1066953283 /nfs/dbraw/zinc/95/32/83/1066953283.db2.gz CHXLUXNPCCCSLU-AUSIDOKSSA-N 1 1 452.599 4.346 20 0 JIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001318214129 1066963201 /nfs/dbraw/zinc/96/32/01/1066963201.db2.gz BLEFIZNPTBXLCG-FQEVSTJZSA-N 1 1 458.587 4.065 20 0 JIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001318218663 1066967052 /nfs/dbraw/zinc/96/70/52/1066967052.db2.gz PSAHDTGYRYHEMW-XMMPIXPASA-N 1 1 468.548 4.087 20 0 JIADMO COc1ccc(CCN(Cc2ccccc2)C(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001318226427 1066971213 /nfs/dbraw/zinc/97/12/13/1066971213.db2.gz PCLRXWJFOSTXJP-UHFFFAOYSA-N 1 1 486.660 4.397 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC001318229215 1066972941 /nfs/dbraw/zinc/97/29/41/1066972941.db2.gz BEBGFMSTKIELPG-FQEVSTJZSA-N 1 1 451.596 4.244 20 0 JIADMO CCOC(=O)c1sc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C(=O)OCC)c1C ZINC001350730202 1066994198 /nfs/dbraw/zinc/99/41/98/1066994198.db2.gz WGQCUTQARGRNFX-SFHVURJKSA-N 1 1 458.580 4.261 20 0 JIADMO COc1cc([C@@H](C)NC(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)ccc1OC1CCCC1 ZINC001318279913 1066999300 /nfs/dbraw/zinc/99/93/00/1066999300.db2.gz CIQHHUSTNQQOKF-OAQYLSRUSA-N 1 1 480.653 4.324 20 0 JIADMO CCC[C@@H](C(=O)N1c2ccccc2CC[C@H]1C(=O)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC001350772091 1066999890 /nfs/dbraw/zinc/99/98/90/1066999890.db2.gz PFTPZYQYCFQJLB-VWNXMTODSA-N 1 1 454.014 4.346 20 0 JIADMO S=C(NCc1ccc2c(c1)OCO2)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001200739024 1067017016 /nfs/dbraw/zinc/01/70/16/1067017016.db2.gz NLLXLFTZNONNGN-ZEQRLZLVSA-N 1 1 459.615 4.438 20 0 JIADMO CNC(=O)c1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)ccc1Cl ZINC001351028469 1067034443 /nfs/dbraw/zinc/03/44/43/1067034443.db2.gz RUVLFFSVQYQBRS-RTBURBONSA-N 1 1 454.983 4.010 20 0 JIADMO Cc1cc(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)ccc1N1CCN(C)CC1 ZINC001318404441 1067038354 /nfs/dbraw/zinc/03/83/54/1067038354.db2.gz QNNTWVNCFHGKQY-JOCHJYFZSA-N 1 1 450.627 4.252 20 0 JIADMO Cc1cc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)ccc1N1CCN(C)CC1 ZINC001318404441 1067038376 /nfs/dbraw/zinc/03/83/76/1067038376.db2.gz QNNTWVNCFHGKQY-JOCHJYFZSA-N 1 1 450.627 4.252 20 0 JIADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)Cc3csc(-c4c(Cl)cccc4Cl)n3)CC2)CC1 ZINC001318412914 1067039668 /nfs/dbraw/zinc/03/96/68/1067039668.db2.gz IJJYJISGSKZCHU-UHFFFAOYSA-N 1 1 495.476 4.062 20 0 JIADMO Cc1ccc(NC(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)c(OCC(F)(F)F)c1 ZINC001318459330 1067044832 /nfs/dbraw/zinc/04/48/32/1067044832.db2.gz VJQJGVLFHNGBPE-UHFFFAOYSA-N 1 1 450.505 4.005 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2Oc2ccc(Cl)cc2Br)C[C@H]1CS(N)(=O)=O ZINC001474728386 1067059010 /nfs/dbraw/zinc/05/90/10/1067059010.db2.gz JPGWKGIZCKFZLB-HIFRSBDPSA-N 1 1 473.820 4.251 20 0 JIADMO CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CCCCCC1 ZINC001351204580 1067059325 /nfs/dbraw/zinc/05/93/25/1067059325.db2.gz PHUKWCGOBOQEHP-QHCPKHFHSA-N 1 1 459.631 4.364 20 0 JIADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001545692153 1067074880 /nfs/dbraw/zinc/07/48/80/1067074880.db2.gz PDIZLDHCBIZMAN-YTFSRNRJSA-N 1 1 466.674 4.341 20 0 JIADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNc2nnc(-c3ccccc3)cc2C(F)(F)F)c1 ZINC001321165877 1067100172 /nfs/dbraw/zinc/10/01/72/1067100172.db2.gz JGSZDHLTDMOAIY-UHFFFAOYSA-N 1 1 485.510 4.435 20 0 JIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@]2(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001351528213 1067119054 /nfs/dbraw/zinc/11/90/54/1067119054.db2.gz KEBLLMSUTGANNL-RADWXHQJSA-N 1 1 455.521 4.128 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)NCc3ccccc3COCc3ccccc3)c2)CC1 ZINC001321506998 1067149740 /nfs/dbraw/zinc/14/97/40/1067149740.db2.gz SRXMIBJPALMZCW-UHFFFAOYSA-N 1 1 472.633 4.150 20 0 JIADMO C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001321505573 1067150018 /nfs/dbraw/zinc/15/00/18/1067150018.db2.gz CMRVIGJUNLXDMC-JOCHJYFZSA-N 1 1 485.632 4.247 20 0 JIADMO CCOC(=O)Cc1csc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)n1 ZINC001351696183 1067170878 /nfs/dbraw/zinc/17/08/78/1067170878.db2.gz GCPXACTWFWXPLN-RTBURBONSA-N 1 1 455.605 4.165 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001321580585 1067171416 /nfs/dbraw/zinc/17/14/16/1067171416.db2.gz KBXVKGOHRKHQAU-UHFFFAOYSA-N 1 1 465.451 4.475 20 0 JIADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC001351697948 1067171838 /nfs/dbraw/zinc/17/18/38/1067171838.db2.gz MUYCZYZAGDRXDC-WOJBJXKFSA-N 1 1 473.411 4.385 20 0 JIADMO C[NH+]1CCN([C@@H](CNC(=O)Nc2ccc(Oc3cccc(F)c3)nc2)c2cccs2)CC1 ZINC001321677723 1067198599 /nfs/dbraw/zinc/19/85/99/1067198599.db2.gz ZEBZODUNZURYRS-FQEVSTJZSA-N 1 1 455.559 4.185 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001492578002 1067200721 /nfs/dbraw/zinc/20/07/21/1067200721.db2.gz TZXDBFDLLCBNFB-ICSRJNTNSA-N 1 1 470.065 4.321 20 0 JIADMO O=C(Cc1ccccc1I)Nc1ccccc1C[NH+]1CCSCC1 ZINC001351789999 1067207066 /nfs/dbraw/zinc/20/70/66/1067207066.db2.gz VZVAJBWNKGGLRM-UHFFFAOYSA-N 1 1 452.361 4.021 20 0 JIADMO COc1ccc(C(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c2ccc(OC)cc2)cc1 ZINC001321844893 1067218570 /nfs/dbraw/zinc/21/85/70/1067218570.db2.gz OAQRACYLAKUDFC-UHFFFAOYSA-N 1 1 475.589 4.125 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC001322122549 1067254705 /nfs/dbraw/zinc/25/47/05/1067254705.db2.gz YYPLCPRVTYYXLG-QGZVFWFLSA-N 1 1 463.500 4.185 20 0 JIADMO O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001322188260 1067260912 /nfs/dbraw/zinc/26/09/12/1067260912.db2.gz XGFCSEXQDWTRAG-UHFFFAOYSA-N 1 1 490.460 4.383 20 0 JIADMO CO[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001300749891 1067267828 /nfs/dbraw/zinc/26/78/28/1067267828.db2.gz SPGUPGQOFFBFGQ-FCHUYYIVSA-N 1 1 482.654 4.127 20 0 JIADMO Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)nn1-c1ccc(Br)cc1 ZINC001352018838 1067270300 /nfs/dbraw/zinc/27/03/00/1067270300.db2.gz FMBXZOBEAQEFMU-FQEVSTJZSA-N 1 1 457.372 4.493 20 0 JIADMO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCCn2cc[nH+]c2C)C1 ZINC001300756688 1067284191 /nfs/dbraw/zinc/28/41/91/1067284191.db2.gz YTRCFRADULJOJM-AZUAARDMSA-N 1 1 456.566 4.158 20 0 JIADMO Cc1nc(-c2ccc([C@H](C)NC(=O)NCc3cccc(C[NH+]4CCN(C)CC4)c3)cc2)cs1 ZINC001322425293 1067291450 /nfs/dbraw/zinc/29/14/50/1067291450.db2.gz WCCFXXXENQDGPD-IBGZPJMESA-N 1 1 463.651 4.426 20 0 JIADMO COc1ccccc1N1CC[NH+](CCNC(=S)Nc2c(C)cc(Cl)cc2Cl)CC1 ZINC001200820690 1067292403 /nfs/dbraw/zinc/29/24/03/1067292403.db2.gz HQFKGXDAGJIDKM-UHFFFAOYSA-N 1 1 453.439 4.419 20 0 JIADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)C[C@H](C)O1 ZINC001352162560 1067303563 /nfs/dbraw/zinc/30/35/63/1067303563.db2.gz KWPOZBVQFCDUJI-GASCZTMLSA-N 1 1 451.583 4.370 20 0 JIADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)C[C@H](C)O1 ZINC001352162560 1067303581 /nfs/dbraw/zinc/30/35/81/1067303581.db2.gz KWPOZBVQFCDUJI-GASCZTMLSA-N 1 1 451.583 4.370 20 0 JIADMO CCCN(C(=O)CCc1ccc(S(=O)(=O)CC)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001352176311 1067306189 /nfs/dbraw/zinc/30/61/89/1067306189.db2.gz NZRHPFMIILUTBD-XMMPIXPASA-N 1 1 456.652 4.316 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCn3ccc4cc(Cl)ccc43)cc2)C1 ZINC001352236079 1067314257 /nfs/dbraw/zinc/31/42/57/1067314257.db2.gz BFIAIXJPCNPYTD-FQEVSTJZSA-N 1 1 452.986 4.411 20 0 JIADMO CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC001352236213 1067314313 /nfs/dbraw/zinc/31/43/13/1067314313.db2.gz CZJOPDWQDRFGJF-FQEVSTJZSA-N 1 1 459.594 4.119 20 0 JIADMO Cc1noc(-c2ccc(C(=O)Nc3cc(NC(=O)C[N@H+]4CCCC[C@@H]4C)ccc3F)cc2)n1 ZINC001323440706 1067320752 /nfs/dbraw/zinc/32/07/52/1067320752.db2.gz ILKJWBCFSXJSGI-HNNXBMFYSA-N 1 1 451.502 4.249 20 0 JIADMO Cc1noc(-c2ccc(C(=O)Nc3cc(NC(=O)C[N@@H+]4CCCC[C@@H]4C)ccc3F)cc2)n1 ZINC001323440706 1067320768 /nfs/dbraw/zinc/32/07/68/1067320768.db2.gz ILKJWBCFSXJSGI-HNNXBMFYSA-N 1 1 451.502 4.249 20 0 JIADMO O=C(CSc1ccc(Br)cc1)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001323635131 1067325111 /nfs/dbraw/zinc/32/51/11/1067325111.db2.gz JGTPYRNZVVKSDZ-UHFFFAOYSA-N 1 1 476.484 4.255 20 0 JIADMO Cc1cccc(-c2nnc(N(C)[C@H](C)c3cccs3)n2CCC[N@H+]2CCCO[C@@H](C)C2)n1 ZINC001492495786 1067327266 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/nfs/dbraw/zinc/35/28/67/1067352867.db2.gz GIGPNBCKKFNEBN-UHFFFAOYSA-N 1 1 468.602 4.017 20 0 JIADMO COc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CCC[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC001300008148 1067358161 /nfs/dbraw/zinc/35/81/61/1067358161.db2.gz CQKDCMINGKZWGL-UNMCSNQZSA-N 1 1 471.646 4.232 20 0 JIADMO Cc1ccccc1[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001492555371 1067365748 /nfs/dbraw/zinc/36/57/48/1067365748.db2.gz KGPKAFTWLXUWAW-IFMALSPDSA-N 1 1 466.674 4.417 20 0 JIADMO COc1ccc(-c2nnc(N(C)CCCSC)n2CC[N@H+]2CCc3sccc3C2)cc1 ZINC001300015170 1067372552 /nfs/dbraw/zinc/37/25/52/1067372552.db2.gz MCLAKXJKUKZCMA-UHFFFAOYSA-N 1 1 457.669 4.263 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001492554931 1067373129 /nfs/dbraw/zinc/37/31/29/1067373129.db2.gz ZHDZPXKAOPFWLY-AOMKIAJQSA-N 1 1 490.471 4.342 20 0 JIADMO Cc1ccccc1[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001492555320 1067376003 /nfs/dbraw/zinc/37/60/03/1067376003.db2.gz JKHMLDOXKYTUOS-XZOQPEGZSA-N 1 1 462.642 4.271 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@H](C)CC(C)(C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300021820 1067386415 /nfs/dbraw/zinc/38/64/15/1067386415.db2.gz KVCFBPZKQLXOML-OFNKIYASSA-N 1 1 455.647 4.183 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001492581703 1067390626 /nfs/dbraw/zinc/39/06/26/1067390626.db2.gz OLNLXRXWWJHEHI-UHFFFAOYSA-N 1 1 492.634 4.372 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001492581703 1067390634 /nfs/dbraw/zinc/39/06/34/1067390634.db2.gz OLNLXRXWWJHEHI-UHFFFAOYSA-N 1 1 492.634 4.372 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC(CC(F)(F)F)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001492581703 1067390639 /nfs/dbraw/zinc/39/06/39/1067390639.db2.gz OLNLXRXWWJHEHI-UHFFFAOYSA-N 1 1 492.634 4.372 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2sc3ccccc3c2Br)c1 ZINC001355239196 1067394346 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NSSZDZSHDKDUGU-UHFFFAOYSA-N 1 1 454.303 4.198 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)n2C[C@@H](C)OC)cc1 ZINC001300040226 1067460970 /nfs/dbraw/zinc/46/09/70/1067460970.db2.gz IVHXJNMUXCRJIS-LEWJYISDSA-N 1 1 455.647 4.470 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@](C)(O)c2ccco2)cc1OC ZINC001300040702 1067464349 /nfs/dbraw/zinc/46/43/49/1067464349.db2.gz ZWZIYKGARAIMAM-MHZLTWQESA-N 1 1 497.640 4.020 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1OC ZINC001300048583 1067503720 /nfs/dbraw/zinc/50/37/20/1067503720.db2.gz BSOIRMAIUKQTNN-XMMPIXPASA-N 1 1 498.716 4.108 20 0 JIADMO CC[C@@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355544212 1067504587 /nfs/dbraw/zinc/50/45/87/1067504587.db2.gz FMQFXIYXBKBZCU-PKTZIBPZSA-N 1 1 458.643 4.465 20 0 JIADMO CC[C@@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355544212 1067504590 /nfs/dbraw/zinc/50/45/90/1067504590.db2.gz FMQFXIYXBKBZCU-PKTZIBPZSA-N 1 1 458.643 4.465 20 0 JIADMO CC[C@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355544435 1067505312 /nfs/dbraw/zinc/50/53/12/1067505312.db2.gz HCUAAJVIWWUVIE-BJKOFHAPSA-N 1 1 452.986 4.244 20 0 JIADMO CC[C@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355544435 1067505328 /nfs/dbraw/zinc/50/53/28/1067505328.db2.gz HCUAAJVIWWUVIE-BJKOFHAPSA-N 1 1 452.986 4.244 20 0 JIADMO CC[C@@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355547888 1067508804 /nfs/dbraw/zinc/50/88/04/1067508804.db2.gz WYOLCBPBGQVJJN-RTBURBONSA-N 1 1 459.015 4.211 20 0 JIADMO CC[C@@H](NC(=O)c1cn(C)nc1-c1ccc(Cl)s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355547888 1067508824 /nfs/dbraw/zinc/50/88/24/1067508824.db2.gz WYOLCBPBGQVJJN-RTBURBONSA-N 1 1 459.015 4.211 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CCC[N@@H+](C)C(C)C)cc1Br ZINC001300051145 1067513271 /nfs/dbraw/zinc/51/32/71/1067513271.db2.gz CPDBJZNMBNYRID-QHCPKHFHSA-N 1 1 494.478 4.452 20 0 JIADMO Cc1[nH+]ccn1CCn1c(Cc2ccccc2C)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001492582775 1067532567 /nfs/dbraw/zinc/53/25/67/1067532567.db2.gz SPYNHJKZHXTEGV-UHFFFAOYSA-N 1 1 493.656 4.124 20 0 JIADMO COC(=O)/C=C\c1ccc(OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)c(OC)c1 ZINC001352580748 1067553206 /nfs/dbraw/zinc/55/32/06/1067553206.db2.gz RAARPFPWCCHQKO-XYCUCSGYSA-N 1 1 478.570 4.159 20 0 JIADMO COc1ccc(-c2nnc(N3CCCC[C@@H](SC)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1OC ZINC001300060342 1067558006 /nfs/dbraw/zinc/55/80/06/1067558006.db2.gz WLCTYJIVYXULLZ-YLJYHZDGSA-N 1 1 459.660 4.167 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C(C)C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001492583636 1067563670 /nfs/dbraw/zinc/56/36/70/1067563670.db2.gz PXWFWWJDBPODNB-AREMUKBSSA-N 1 1 466.718 4.323 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2Cc2csc(C)c2)cc1OC ZINC001300061602 1067565568 /nfs/dbraw/zinc/56/55/68/1067565568.db2.gz LBCRLSJLSZIHEC-UHFFFAOYSA-N 1 1 455.628 4.301 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2Cc2cnn(CC(C)C)c2C)cc1 ZINC001300062292 1067569500 /nfs/dbraw/zinc/56/95/00/1067569500.db2.gz YCOJOGDPNZBAQX-UHFFFAOYSA-N 1 1 479.673 4.474 20 0 JIADMO COc1ccc(-c2nnc(N3CCCO[C@@H](C)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300063487 1067573065 /nfs/dbraw/zinc/57/30/65/1067573065.db2.gz SZFCZZOLQKFGJO-HBMCJLEFSA-N 1 1 455.647 4.325 20 0 JIADMO COc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2CCC[N@H+](C)C2CCCCC2)cc1OC ZINC001300068227 1067585758 /nfs/dbraw/zinc/58/57/58/1067585758.db2.gz HCSYGVBXQSSTBL-UHFFFAOYSA-N 1 1 484.689 4.147 20 0 JIADMO COc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2CCC[N@@H+](C)C2CCCCC2)cc1OC ZINC001300068227 1067585767 /nfs/dbraw/zinc/58/57/67/1067585767.db2.gz HCSYGVBXQSSTBL-UHFFFAOYSA-N 1 1 484.689 4.147 20 0 JIADMO COc1ccc(CCNC(=S)NC2CC[NH+](Cc3cccc(Br)c3)CC2)cc1OC ZINC001200091240 1067590914 /nfs/dbraw/zinc/59/09/14/1067590914.db2.gz JMICQYDUBZFGNU-UHFFFAOYSA-N 1 1 492.483 4.138 20 0 JIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)C1 ZINC001355843449 1067591174 /nfs/dbraw/zinc/59/11/74/1067591174.db2.gz ZNAJCMQASWEPQE-VGSWGCGISA-N 1 1 453.384 4.259 20 0 JIADMO 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 1067601119 /nfs/dbraw/zinc/60/11/19/1067601119.db2.gz PKSMLEUYLAZUED-RVSNTGDXSA-N 1 1 451.615 4.121 20 0 JIADMO COc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300078188 1067611577 /nfs/dbraw/zinc/61/15/77/1067611577.db2.gz GOZOWQCPASTRBI-NQIIRXRSSA-N 1 1 481.563 4.233 20 0 JIADMO COc1ccc([C@@H](C)CCNC(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)cc1 ZINC001200106184 1067630020 /nfs/dbraw/zinc/63/00/20/1067630020.db2.gz AVZULFPIYKRFFI-FQEVSTJZSA-N 1 1 450.583 4.297 20 0 JIADMO CC(C)(C)OC(=O)N1CCc2nc(CNC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)sc2C1 ZINC001200106015 1067630404 /nfs/dbraw/zinc/63/04/04/1067630404.db2.gz QVOCGHHLIXGTTE-FQEVSTJZSA-N 1 1 456.656 4.091 20 0 JIADMO COC(=O)CCc1csc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)n1 ZINC001356009117 1067632501 /nfs/dbraw/zinc/63/25/01/1067632501.db2.gz AJTTWGRGOOHHFG-RTBURBONSA-N 1 1 455.605 4.165 20 0 JIADMO COc1ccc(-c2nnc(N3CCS[C@@H](C)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1OC ZINC001300090544 1067646363 /nfs/dbraw/zinc/64/63/63/1067646363.db2.gz WHMGMZOQOWWSBK-LAUBAEHRSA-N 1 1 459.660 4.024 20 0 JIADMO 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 1067688614 /nfs/dbraw/zinc/68/86/14/1067688614.db2.gz LEFDMELPVHSXTP-ZFGGDYGUSA-N 1 1 496.700 4.063 20 0 JIADMO CCc1ccccc1N1C[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1=O ZINC001352757354 1067706226 /nfs/dbraw/zinc/70/62/26/1067706226.db2.gz OFWFTXNZNXVAIG-JTHBVZDNSA-N 1 1 454.014 4.426 20 0 JIADMO CCc1ccccc1N1C[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1=O ZINC001352757354 1067706248 /nfs/dbraw/zinc/70/62/48/1067706248.db2.gz OFWFTXNZNXVAIG-JTHBVZDNSA-N 1 1 454.014 4.426 20 0 JIADMO C[C@@H](c1ccc(NC(=O)NC2CC3(C2)CC(NC(=O)OC(C)(C)C)C3)cc1)[NH+]1CCOCC1 ZINC001200130767 1067712584 /nfs/dbraw/zinc/71/25/84/1067712584.db2.gz ZQWQPNOEWPBRGC-AAHMRVMESA-N 1 1 458.603 4.037 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001356354179 1067734146 /nfs/dbraw/zinc/73/41/46/1067734146.db2.gz FMTMLEFCSIZGOE-ZWKOTPCHSA-N 1 1 453.384 4.370 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001356354179 1067734153 /nfs/dbraw/zinc/73/41/53/1067734153.db2.gz FMTMLEFCSIZGOE-ZWKOTPCHSA-N 1 1 453.384 4.370 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC001356357250 1067734962 /nfs/dbraw/zinc/73/49/62/1067734962.db2.gz VGQIFFSUNJXXBG-ZWKOTPCHSA-N 1 1 453.384 4.370 20 0 JIADMO COc1ccc(COCCC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001356362458 1067735613 /nfs/dbraw/zinc/73/56/13/1067735613.db2.gz NITBBBNFMKOFHS-UHFFFAOYSA-N 1 1 450.501 4.355 20 0 JIADMO Cc1ccc(NC(=S)N2C[C@@H]([N@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]32)c(Br)c1 ZINC001200149398 1067764411 /nfs/dbraw/zinc/76/44/11/1067764411.db2.gz WLXSCDNZUHRHAP-AQNXPRMDSA-N 1 1 464.429 4.411 20 0 JIADMO Cc1ccc(NC(=S)N2C[C@@H]([N@@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]32)c(Br)c1 ZINC001200149398 1067764422 /nfs/dbraw/zinc/76/44/22/1067764422.db2.gz WLXSCDNZUHRHAP-AQNXPRMDSA-N 1 1 464.429 4.411 20 0 JIADMO COc1ccc(CCCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300133153 1067772477 /nfs/dbraw/zinc/77/24/77/1067772477.db2.gz OKQANNBKWMPRIH-WPFOTENUSA-N 1 1 469.674 4.370 20 0 JIADMO COc1ccc(CCCN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300133151 1067772533 /nfs/dbraw/zinc/77/25/33/1067772533.db2.gz OKQANNBKWMPRIH-CQOQZXRMSA-N 1 1 469.674 4.370 20 0 JIADMO COc1ccc(CCCN(C)c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001300133457 1067773731 /nfs/dbraw/zinc/77/37/31/1067773731.db2.gz UIYAIHUUTQNQMG-QHCPKHFHSA-N 1 1 469.674 4.372 20 0 JIADMO Cc1cc(NC(=O)[C@@H](C)SCC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)no1 ZINC000484660468 1067804167 /nfs/dbraw/zinc/80/41/67/1067804167.db2.gz XWCAOBGNXDKWAP-YLJYHZDGSA-N 1 1 484.647 4.021 20 0 JIADMO Cc1cc(NC(=O)[C@@H](C)SCC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)no1 ZINC000484660468 1067804170 /nfs/dbraw/zinc/80/41/70/1067804170.db2.gz XWCAOBGNXDKWAP-YLJYHZDGSA-N 1 1 484.647 4.021 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c1 ZINC001357124488 1067806729 /nfs/dbraw/zinc/80/67/29/1067806729.db2.gz GRHFBLWPCADRPQ-QGZVFWFLSA-N 1 1 456.757 4.114 20 0 JIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c1 ZINC001357124488 1067806733 /nfs/dbraw/zinc/80/67/33/1067806733.db2.gz GRHFBLWPCADRPQ-QGZVFWFLSA-N 1 1 456.757 4.114 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CC=CCC2)cc1C ZINC001300162013 1067817121 /nfs/dbraw/zinc/81/71/21/1067817121.db2.gz FMKWQYPMKAGWAP-UHFFFAOYSA-N 1 1 452.990 4.209 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)cc1F ZINC001300162394 1067817379 /nfs/dbraw/zinc/81/73/79/1067817379.db2.gz LTSSNCHOCYCDSJ-UHFFFAOYSA-N 1 1 452.578 4.246 20 0 JIADMO Cc1ccc(NC(=O)Cn2nc(C(F)F)cc2C(F)F)cc1NC(=O)C[NH+]1CCCCC1 ZINC001357209684 1067818867 /nfs/dbraw/zinc/81/88/67/1067818867.db2.gz NAFYJSKXNNDONY-UHFFFAOYSA-N 1 1 455.456 4.130 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1O ZINC001300163004 1067818994 /nfs/dbraw/zinc/81/89/94/1067818994.db2.gz WWFWNAFWMHFWQD-NRFANRHFSA-N 1 1 485.032 4.465 20 0 JIADMO Cc1ccc(NC(=O)C2=Cc3ccccc3O[C@H]2C(F)F)cc1NC(=O)C[NH+]1CCCCC1 ZINC001357210409 1067819127 /nfs/dbraw/zinc/81/91/27/1067819127.db2.gz VBYWWIPIOHCBPU-HSZRJFAPSA-N 1 1 455.505 4.468 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3cccn3C)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001300164264 1067821640 /nfs/dbraw/zinc/82/16/40/1067821640.db2.gz MCJBBWKULKPLCY-OAQYLSRUSA-N 1 1 450.631 4.441 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CCC(C)(C)O ZINC001492585135 1067825146 /nfs/dbraw/zinc/82/51/46/1067825146.db2.gz YQMPPLPQKFLJCU-DHIUTWEWSA-N 1 1 453.675 4.429 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001492585388 1067827802 /nfs/dbraw/zinc/82/78/02/1067827802.db2.gz FPXBKUVNCFTBDB-DEOSSOPVSA-N 1 1 466.699 4.462 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001492585388 1067827803 /nfs/dbraw/zinc/82/78/03/1067827803.db2.gz FPXBKUVNCFTBDB-DEOSSOPVSA-N 1 1 466.699 4.462 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001492585388 1067827809 /nfs/dbraw/zinc/82/78/09/1067827809.db2.gz FPXBKUVNCFTBDB-DEOSSOPVSA-N 1 1 466.699 4.462 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC001300178831 1067839964 /nfs/dbraw/zinc/83/99/64/1067839964.db2.gz GUBWNPWRCLCYEF-JXALWOEJSA-N 1 1 455.647 4.451 20 0 JIADMO Cc1c(I)cccc1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC001353056034 1067847318 /nfs/dbraw/zinc/84/73/18/1067847318.db2.gz KOWOWAZCUAEYON-HNNXBMFYSA-N 1 1 450.320 4.245 20 0 JIADMO COc1ccc(Cn2c(C(C)C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 ZINC001300184708 1067848424 /nfs/dbraw/zinc/84/84/24/1067848424.db2.gz LXXQHDJHYXCITC-CALCHBBNSA-N 1 1 469.552 4.023 20 0 JIADMO COc1ccc(Cn2c(C(C)C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 ZINC001300184708 1067848427 /nfs/dbraw/zinc/84/84/27/1067848427.db2.gz LXXQHDJHYXCITC-CALCHBBNSA-N 1 1 469.552 4.023 20 0 JIADMO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC001473277439 1067852791 /nfs/dbraw/zinc/85/27/91/1067852791.db2.gz JJQZNKZRVWQCKD-AEFFLSMTSA-N 1 1 455.418 4.430 20 0 JIADMO CNC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001473279369 1067857177 /nfs/dbraw/zinc/85/71/77/1067857177.db2.gz XLTZWSWRMWZQOK-SFTDATJTSA-N 1 1 451.394 4.061 20 0 JIADMO CNC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC001473279366 1067857322 /nfs/dbraw/zinc/85/73/22/1067857322.db2.gz XLTZWSWRMWZQOK-LEWJYISDSA-N 1 1 451.394 4.061 20 0 JIADMO C[C@@H](COc1ccc(F)cc1F)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001357488815 1067857951 /nfs/dbraw/zinc/85/79/51/1067857951.db2.gz QPSNVMUNPGOVDR-OFAXGOBFSA-N 1 1 451.517 4.159 20 0 JIADMO CC(C)(C)n1ncc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1Br ZINC001357496667 1067859680 /nfs/dbraw/zinc/85/96/80/1067859680.db2.gz ZBIZFHGNBMRQEL-YSIASYRMSA-N 1 1 459.432 4.431 20 0 JIADMO CCCN(C(=O)CCN1C(=O)CCc2cc(F)ccc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357512435 1067862085 /nfs/dbraw/zinc/86/20/85/1067862085.db2.gz OTCGZGGVVFOBOY-XMMPIXPASA-N 1 1 451.586 4.398 20 0 JIADMO Cc1cc(Br)cc(C)c1NC(=S)N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001200222322 1067865099 /nfs/dbraw/zinc/86/50/99/1067865099.db2.gz RWEVDCHLOQRRJP-UHFFFAOYSA-N 1 1 492.487 4.066 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)C[C@H](C)c2nccs2)n1CC[N@@H+]1CCOCC1(C)C ZINC001492557348 1067871309 /nfs/dbraw/zinc/87/13/09/1067871309.db2.gz HMIYVDBCTCKILW-IBGZPJMESA-N 1 1 454.644 4.061 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)C[C@H](C)c2nccs2)n1CC[N@H+]1CCOCC1(C)C ZINC001492557348 1067871311 /nfs/dbraw/zinc/87/13/11/1067871311.db2.gz HMIYVDBCTCKILW-IBGZPJMESA-N 1 1 454.644 4.061 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@@]1(C)CCCS1 ZINC001492557809 1067872849 /nfs/dbraw/zinc/87/28/49/1067872849.db2.gz XQVVHNBRGCIJOQ-RUZDIDTESA-N 1 1 457.688 4.334 20 0 JIADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1)C[C@@H]1CCCCO1 ZINC001357599139 1067876149 /nfs/dbraw/zinc/87/61/49/1067876149.db2.gz KFNVDJNXPNGNKD-ZEQRLZLVSA-N 1 1 453.583 4.281 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CCC2CCOCC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492558739 1067882390 /nfs/dbraw/zinc/88/23/90/1067882390.db2.gz FJASUIDJXGVOOE-SZPZYZBQSA-N 1 1 469.674 4.394 20 0 JIADMO 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 1067889268 /nfs/dbraw/zinc/88/92/68/1067889268.db2.gz SXWZDUXRHKIDAH-OHDICMOHSA-N 1 1 457.384 4.247 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@H](C(=O)OCc3ccccc3)C(C)(C)C)cc2)C[C@H](C)O1 ZINC001357718848 1067890755 /nfs/dbraw/zinc/89/07/55/1067890755.db2.gz DMYYQSCCAYOYRO-JXALWOEJSA-N 1 1 452.595 4.184 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@H](C(=O)OCc3ccccc3)C(C)(C)C)cc2)C[C@H](C)O1 ZINC001357718848 1067890756 /nfs/dbraw/zinc/89/07/56/1067890756.db2.gz DMYYQSCCAYOYRO-JXALWOEJSA-N 1 1 452.595 4.184 20 0 JIADMO 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 1067891068 /nfs/dbraw/zinc/89/10/68/1067891068.db2.gz WVEINAFMKZQVIW-RVSPLBMKSA-N 1 1 452.477 4.279 20 0 JIADMO C[C@H](CNC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[N@@H+]1CCc2sccc2C1 ZINC001357780930 1067898954 /nfs/dbraw/zinc/89/89/54/1067898954.db2.gz WOEXWBHLIHKSSK-ZHRRBRCNSA-N 1 1 452.542 4.279 20 0 JIADMO C[C@H](CNC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)[N@H+]1CCc2sccc2C1 ZINC001357780930 1067898955 /nfs/dbraw/zinc/89/89/55/1067898955.db2.gz WOEXWBHLIHKSSK-ZHRRBRCNSA-N 1 1 452.542 4.279 20 0 JIADMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001357940024 1067952006 /nfs/dbraw/zinc/95/20/06/1067952006.db2.gz KIEKZDZWILISRS-OAQYLSRUSA-N 1 1 459.587 4.054 20 0 JIADMO COc1ccc(F)cc1Cn1c(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nnc1C(C)(C)C ZINC001300244922 1067963755 /nfs/dbraw/zinc/96/37/55/1067963755.db2.gz BVMCQYIPUZLYDJ-KDURUIRLSA-N 1 1 473.637 4.097 20 0 JIADMO CCC[C@H](C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccc(Cl)c1 ZINC001357977305 1067966858 /nfs/dbraw/zinc/96/68/58/1067966858.db2.gz WPQRWYZXNSFRJN-QHCPKHFHSA-N 1 1 458.002 4.201 20 0 JIADMO Cc1cc2nc(C)c(CCC(=O)NC[C@H]3CC[N@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)c(C)n2n1 ZINC001358033954 1067996523 /nfs/dbraw/zinc/99/65/23/1067996523.db2.gz DEPQDPDBSQXWAM-HOYKHHGWSA-N 1 1 457.981 4.189 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001492562061 1068012456 /nfs/dbraw/zinc/01/24/56/1068012456.db2.gz QCYUOTTVMMNHFR-HXOBKFHXSA-N 1 1 465.564 4.266 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001492562062 1068012524 /nfs/dbraw/zinc/01/25/24/1068012524.db2.gz QCYUOTTVMMNHFR-SBUREZEXSA-N 1 1 465.564 4.266 20 0 JIADMO COc1ccc(OCc2nnc(N(C)Cc3cscn3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300263907 1068031799 /nfs/dbraw/zinc/03/17/99/1068031799.db2.gz RZLKULLVVMHKKJ-OAQYLSRUSA-N 1 1 470.643 4.079 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CC1([S@](C)=O)CCC1 ZINC001492563943 1068047433 /nfs/dbraw/zinc/04/74/33/1068047433.db2.gz RCPHUOYBTGQMLI-YTTGMZPUSA-N 1 1 457.688 4.111 20 0 JIADMO COc1ccc(OCc2nnc(N3C[C@@H](C)CC(C)(C)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300272592 1068053947 /nfs/dbraw/zinc/05/39/47/1068053947.db2.gz XLEJCRUNKYWKRJ-FDFHNCONSA-N 1 1 485.673 4.237 20 0 JIADMO COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(C)[nH+]c(C)c3)[C@@H]2c2ccccc2OC)cc1 ZINC001358360387 1068074352 /nfs/dbraw/zinc/07/43/52/1068074352.db2.gz MEUVJHFDHQGWHY-BVAGGSTKSA-N 1 1 459.546 4.261 20 0 JIADMO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]Cc2nc(-c3cc(Br)cs3)no2)C1(C)C ZINC001473598005 1068265179 /nfs/dbraw/zinc/26/51/79/1068265179.db2.gz PHHYGDHXRDESQM-QWHCGFSZSA-N 1 1 457.394 4.342 20 0 JIADMO CC(C)(C)OC(=O)NC[C@H]1Cc2ccccc2N(Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001473734446 1068280192 /nfs/dbraw/zinc/28/01/92/1068280192.db2.gz VIYGNXPJXYDRIL-HSZRJFAPSA-N 1 1 451.611 4.222 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC=CO3)CC2)c1 ZINC001300335084 1068304653 /nfs/dbraw/zinc/30/46/53/1068304653.db2.gz LZSCKRSIOPIQPI-NFBKMPQASA-N 1 1 453.631 4.451 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(OC)nc3)CC2)c1 ZINC001300335299 1068306363 /nfs/dbraw/zinc/30/63/63/1068306363.db2.gz PKPQLMOKTBXOMD-HXUWFJFHSA-N 1 1 478.641 4.210 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc([C@H]4CCCCO4)n3CCCSC)CC2)c1 ZINC001300335910 1068309784 /nfs/dbraw/zinc/30/97/84/1068309784.db2.gz XEBWEOUWGFJVPM-SIKLNZKXSA-N 1 1 459.660 4.165 20 0 JIADMO Cc1nccc(NCc2cccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)c2)n1 ZINC000622373341 1068361861 /nfs/dbraw/zinc/36/18/61/1068361861.db2.gz LAFNBFCESJSVFA-QFIPXVFZSA-N 1 1 469.511 4.420 20 0 JIADMO 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 1068369048 /nfs/dbraw/zinc/36/90/48/1068369048.db2.gz QUUWGKYTPMYGBV-RJGXRXQPSA-N 1 1 498.716 4.010 20 0 JIADMO COc1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001300354382 1068372382 /nfs/dbraw/zinc/37/23/82/1068372382.db2.gz DGGMYWSSOVXHHQ-UHFFFAOYSA-N 1 1 494.606 4.149 20 0 JIADMO COc1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001300354382 1068372395 /nfs/dbraw/zinc/37/23/95/1068372395.db2.gz DGGMYWSSOVXHHQ-UHFFFAOYSA-N 1 1 494.606 4.149 20 0 JIADMO COc1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001300354382 1068372405 /nfs/dbraw/zinc/37/24/05/1068372405.db2.gz DGGMYWSSOVXHHQ-UHFFFAOYSA-N 1 1 494.606 4.149 20 0 JIADMO Cc1nnc(-c2cccc(C(=O)Nc3cc(NC(=O)C[N@H+]4CCCC[C@@H]4C)ccc3F)c2)o1 ZINC001353631405 1068382108 /nfs/dbraw/zinc/38/21/08/1068382108.db2.gz GFLOXPGLDGBYRW-HNNXBMFYSA-N 1 1 451.502 4.249 20 0 JIADMO Cc1nnc(-c2cccc(C(=O)Nc3cc(NC(=O)C[N@@H+]4CCCC[C@@H]4C)ccc3F)c2)o1 ZINC001353631405 1068382128 /nfs/dbraw/zinc/38/21/28/1068382128.db2.gz GFLOXPGLDGBYRW-HNNXBMFYSA-N 1 1 451.502 4.249 20 0 JIADMO COc1ccc2c(c1)C=C(C(=O)Nc1cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc1F)CO2 ZINC001353631373 1068382165 /nfs/dbraw/zinc/38/21/65/1068382165.db2.gz FPTQFYZMZNMHSC-INIZCTEOSA-N 1 1 453.514 4.062 20 0 JIADMO COc1ccc2c(c1)C=C(C(=O)Nc1cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc1F)CO2 ZINC001353631373 1068382181 /nfs/dbraw/zinc/38/21/81/1068382181.db2.gz FPTQFYZMZNMHSC-INIZCTEOSA-N 1 1 453.514 4.062 20 0 JIADMO 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 1068383500 /nfs/dbraw/zinc/38/35/00/1068383500.db2.gz DQXPMRYQOADIML-WEMPKCCASA-N 1 1 495.590 4.478 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)n2CCCNC(=O)C(C)C)c1 ZINC001300375642 1068445795 /nfs/dbraw/zinc/44/57/95/1068445795.db2.gz FZYOXWVIAPYEOH-DHIUTWEWSA-N 1 1 496.700 4.207 20 0 JIADMO CCc1nc2ccc(C(=O)Nc3ccc(C(=O)N(C)[C@H]4CCC[N@@H+](C)C4)cc3)cc2nc1CC ZINC001353735529 1068526825 /nfs/dbraw/zinc/52/68/25/1068526825.db2.gz NFERZZMFEOSFNI-NRFANRHFSA-N 1 1 459.594 4.173 20 0 JIADMO CN(C(=O)c1ccc(NC(=O)c2ccc(OC(F)(F)Cl)cc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001353736453 1068529206 /nfs/dbraw/zinc/52/92/06/1068529206.db2.gz ZXDNEDIPTHDDOH-SFHVURJKSA-N 1 1 451.901 4.273 20 0 JIADMO COc1cccc(-c2nnc(N3C[C@@H](C)C(F)(F)[C@@H](C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001300397223 1068537448 /nfs/dbraw/zinc/53/74/48/1068537448.db2.gz ABVZWOXSIRZUFU-ZCNNSNEGSA-N 1 1 477.600 4.182 20 0 JIADMO COc1cccc([C@@H]2CCCN2c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001300405843 1068568537 /nfs/dbraw/zinc/56/85/37/1068568537.db2.gz LWKSIJWOERQRHT-QFIPXVFZSA-N 1 1 455.647 4.328 20 0 JIADMO COc1cccc([C@@H]2CCCN2c2nnc(CC(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001300405843 1068568555 /nfs/dbraw/zinc/56/85/55/1068568555.db2.gz LWKSIJWOERQRHT-QFIPXVFZSA-N 1 1 455.647 4.328 20 0 JIADMO 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 1068589524 /nfs/dbraw/zinc/58/95/24/1068589524.db2.gz XRSPJAWHYYYTHQ-RCZVLFRGSA-N 1 1 471.667 4.448 20 0 JIADMO Cc1ccccc1C1(C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)CCCC1 ZINC001353828641 1068634498 /nfs/dbraw/zinc/63/44/98/1068634498.db2.gz IBBVDWANQFEXSA-UHFFFAOYSA-N 1 1 453.558 4.245 20 0 JIADMO COc1cccc(Cn2c(Cc3ccsc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1OC ZINC001300427867 1068670249 /nfs/dbraw/zinc/67/02/49/1068670249.db2.gz ILTRBNWSNCOYSC-UHFFFAOYSA-N 1 1 469.655 4.307 20 0 JIADMO COc1cccc(N2CCN(c3nnc(C(C)(C)C)n3CCCC[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001300442757 1068724262 /nfs/dbraw/zinc/72/42/62/1068724262.db2.gz QFFCAHOZRKBPNC-JOCHJYFZSA-N 1 1 468.690 4.423 20 0 JIADMO CC[C@@H](C)NC(=S)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001200491264 1068734023 /nfs/dbraw/zinc/73/40/23/1068734023.db2.gz HEQZKSOYXMZHAO-IFMALSPDSA-N 1 1 474.715 4.398 20 0 JIADMO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+]Cc3c(Cl)nc4ccccn43)c2)cc1 ZINC001200514805 1068803071 /nfs/dbraw/zinc/80/30/71/1068803071.db2.gz MHBQBIFVMFGZEU-UHFFFAOYSA-N 1 1 456.955 4.087 20 0 JIADMO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+]Cc3nc4c(s3)C[C@H](C)CC4)c2)cc1 ZINC001200515934 1068804749 /nfs/dbraw/zinc/80/47/49/1068804749.db2.gz WRCPCWZGBKCZMP-MRXNPFEDSA-N 1 1 457.621 4.367 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CCC2CCOCC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300473952 1068819845 /nfs/dbraw/zinc/81/98/45/1068819845.db2.gz AIGJTMYFNRYFEY-OYRHEFFESA-N 1 1 485.673 4.094 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001492567465 1068834620 /nfs/dbraw/zinc/83/46/20/1068834620.db2.gz AXAYGKBVCYRLBE-QHCPKHFHSA-N 1 1 480.701 4.316 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[C@H](C(C)(C)C)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001300482212 1068837508 /nfs/dbraw/zinc/83/75/08/1068837508.db2.gz LJVQIUKQTBHGEQ-SFTDATJTSA-N 1 1 455.647 4.183 20 0 JIADMO COc1cc(NC(=S)N2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(OC)cc1Cl ZINC001200534389 1068843055 /nfs/dbraw/zinc/84/30/55/1068843055.db2.gz CTPGZAQQPFUWFG-INIZCTEOSA-N 1 1 480.030 4.403 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCOc1ncccc1F ZINC001300485299 1068843449 /nfs/dbraw/zinc/84/34/49/1068843449.db2.gz HWANPUJMOALPGU-UHFFFAOYSA-N 1 1 482.604 4.123 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001492568301 1068843504 /nfs/dbraw/zinc/84/35/04/1068843504.db2.gz WCNYHDCUPOISRB-HXUWFJFHSA-N 1 1 456.635 4.087 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001492568369 1068844628 /nfs/dbraw/zinc/84/46/28/1068844628.db2.gz NKZPCFGYTOLXFU-SFTDATJTSA-N 1 1 478.607 4.447 20 0 JIADMO COCC[S@](=O)Cc1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001200541775 1068857838 /nfs/dbraw/zinc/85/78/38/1068857838.db2.gz GSHDYOCSAZYWKH-QIUISVASSA-N 1 1 469.651 4.004 20 0 JIADMO CN(c1ccc(OC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)S(=O)(=O)c1cccs1 ZINC001354068193 1068876956 /nfs/dbraw/zinc/87/69/56/1068876956.db2.gz HLVQABYTAQICGL-IBGZPJMESA-N 1 1 456.589 4.001 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001300506986 1068880772 /nfs/dbraw/zinc/88/07/72/1068880772.db2.gz YPENFZYHXBDISS-UHFFFAOYSA-N 1 1 486.567 4.309 20 0 JIADMO C=Cc1ccc(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001359170078 1068880999 /nfs/dbraw/zinc/88/09/99/1068880999.db2.gz GFWLEMWPIJGQBH-UHFFFAOYSA-N 1 1 481.044 4.426 20 0 JIADMO C=Cc1ccc(CCn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001359170078 1068881002 /nfs/dbraw/zinc/88/10/02/1068881002.db2.gz GFWLEMWPIJGQBH-UHFFFAOYSA-N 1 1 481.044 4.426 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001300513746 1068894827 /nfs/dbraw/zinc/89/48/27/1068894827.db2.gz PIYQARBJJHEPPS-RBBKRZOGSA-N 1 1 498.672 4.178 20 0 JIADMO COc1ccccc1[C@H]1CCCN1c1nnc(C(C)(C)C)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001300522032 1068915638 /nfs/dbraw/zinc/91/56/38/1068915638.db2.gz QDCKLIPTLWCPFF-IFMALSPDSA-N 1 1 455.647 4.163 20 0 JIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001354147160 1068930716 /nfs/dbraw/zinc/93/07/16/1068930716.db2.gz HVNQEGDARBJKNK-LADGPHEKSA-N 1 1 451.586 4.049 20 0 JIADMO COc1ccccc1C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001300528663 1068933787 /nfs/dbraw/zinc/93/37/87/1068933787.db2.gz FZECGPTUTJSUEV-BWKNWUBXSA-N 1 1 476.669 4.460 20 0 JIADMO Cc1cc(C)c(CC(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C)c1Br ZINC001354154663 1068934993 /nfs/dbraw/zinc/93/49/93/1068934993.db2.gz BWQCLOLFHFGLQY-SIKLNZKXSA-N 1 1 459.428 4.323 20 0 JIADMO Cc1cc(C)c(CC(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C)c1Br ZINC001354154663 1068935005 /nfs/dbraw/zinc/93/50/05/1068935005.db2.gz BWQCLOLFHFGLQY-SIKLNZKXSA-N 1 1 459.428 4.323 20 0 JIADMO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001300530194 1068939519 /nfs/dbraw/zinc/93/95/19/1068939519.db2.gz MUNPAQQLPPMJCJ-QFIPXVFZSA-N 1 1 476.669 4.462 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001300531335 1068943712 /nfs/dbraw/zinc/94/37/12/1068943712.db2.gz JQILYMHGLXIAJU-IFMALSPDSA-N 1 1 455.647 4.003 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001300531335 1068943722 /nfs/dbraw/zinc/94/37/22/1068943722.db2.gz JQILYMHGLXIAJU-IFMALSPDSA-N 1 1 455.647 4.003 20 0 JIADMO COc1ccccc1C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001300533207 1068949117 /nfs/dbraw/zinc/94/91/17/1068949117.db2.gz VVPRFNVMBAUPSQ-PMACEKPBSA-N 1 1 482.698 4.442 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)Cc2scnc2C)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001300536070 1068955719 /nfs/dbraw/zinc/95/57/19/1068955719.db2.gz OBQLYNIQBLMZOI-QFIPXVFZSA-N 1 1 468.671 4.399 20 0 JIADMO O=C(Cc1ccc(Br)c(Br)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001354185330 1068959423 /nfs/dbraw/zinc/95/94/23/1068959423.db2.gz ZESNWXQUDSXOAH-UHFFFAOYSA-N 1 1 452.190 4.099 20 0 JIADMO Cc1ccccc1-c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CCOCC(F)F ZINC001492568722 1068977860 /nfs/dbraw/zinc/97/78/60/1068977860.db2.gz XJGSJUVHZPDVJS-SFHVURJKSA-N 1 1 461.582 4.480 20 0 JIADMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001492568726 1068978557 /nfs/dbraw/zinc/97/85/57/1068978557.db2.gz XJVYKSVEQSQLMX-HXUWFJFHSA-N 1 1 479.629 4.294 20 0 JIADMO 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 1068979245 /nfs/dbraw/zinc/97/92/45/1068979245.db2.gz VKWHDXFXYGYRHP-RMHZUWNSSA-N 1 1 464.242 4.071 20 0 JIADMO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NC[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)C2)c1 ZINC001354209785 1068980026 /nfs/dbraw/zinc/98/00/26/1068980026.db2.gz KTOVXJKKQSKCIJ-DPLHUUCSSA-N 1 1 453.652 4.416 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1Cc1c(C)noc1C ZINC001300555415 1069010164 /nfs/dbraw/zinc/01/01/64/1069010164.db2.gz DEFGGAMWUXYAJW-UHFFFAOYSA-N 1 1 466.630 4.087 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H]1CCSC1(C)C ZINC001492587683 1069027560 /nfs/dbraw/zinc/02/75/60/1069027560.db2.gz ZHSWRGLVQWRIAM-HSZRJFAPSA-N 1 1 471.715 4.256 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492589189 1069036919 /nfs/dbraw/zinc/03/69/19/1069036919.db2.gz NCWBFLWYMVESTL-BEZYRKKYSA-N 1 1 453.675 4.143 20 0 JIADMO 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CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(SCc3ccccc3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849493840 1069063754 /nfs/dbraw/zinc/06/37/54/1069063754.db2.gz MLVVQBYNCAUYQP-MOPGFXCFSA-N 1 1 456.641 4.017 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cn1 ZINC000849493575 1069064796 /nfs/dbraw/zinc/06/47/96/1069064796.db2.gz YAEAQBPPZSLWBM-MSOLQXFVSA-N 1 1 464.422 4.448 20 0 JIADMO 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 1069065748 /nfs/dbraw/zinc/06/57/48/1069065748.db2.gz ANLURWHLHVIMQB-FKBYEOEOSA-N 1 1 492.451 4.171 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2cccc(Br)c2)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849495566 1069067760 /nfs/dbraw/zinc/06/77/60/1069067760.db2.gz DAWWJIGPOXKCMH-FGZHOGPDSA-N 1 1 459.432 4.188 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC(C)(C)c2ccc(Br)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849497043 1069068659 /nfs/dbraw/zinc/06/86/59/1069068659.db2.gz CONRWFPQGOBXPZ-RTWAWAEBSA-N 1 1 461.448 4.091 20 0 JIADMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc2sc(Br)cc2s1 ZINC001300568991 1069069154 /nfs/dbraw/zinc/06/91/54/1069069154.db2.gz CHUUHGGEZYESQC-AWEZNQCLSA-N 1 1 451.411 4.222 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cn1 ZINC000849499300 1069069728 /nfs/dbraw/zinc/06/97/28/1069069728.db2.gz VDXRKXZATNJCRW-DNQXCXABSA-N 1 1 498.096 4.182 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(I)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849502408 1069074783 /nfs/dbraw/zinc/07/47/83/1069074783.db2.gz ZZIQJBLDOMCOKC-JKSUJKDBSA-N 1 1 486.785 4.131 20 0 JIADMO CCCCOc1ccc([C@H](C)NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1OC ZINC000849502806 1069076841 /nfs/dbraw/zinc/07/68/41/1069076841.db2.gz SSOKKXCPAWQCCY-PMOQBDJRSA-N 1 1 456.631 4.299 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)cn1 ZINC000849503373 1069077857 /nfs/dbraw/zinc/07/78/57/1069077857.db2.gz IGUYVCHXOAJTDF-WPYKKVEZSA-N 1 1 485.401 4.263 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCCSCc2cccc3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849506074 1069086168 /nfs/dbraw/zinc/08/61/68/1069086168.db2.gz LBCRMGFXSITCRM-DQEYMECFSA-N 1 1 450.652 4.437 20 0 JIADMO 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 1069088033 /nfs/dbraw/zinc/08/80/33/1069088033.db2.gz WYWUDKRDYTYMQM-ZTFGCOKTSA-N 1 1 452.546 4.392 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC2(c3ccc(Br)cc3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849506747 1069088982 /nfs/dbraw/zinc/08/89/82/1069088982.db2.gz NNYYICCNPVPXNL-FGZHOGPDSA-N 1 1 473.459 4.235 20 0 JIADMO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849510034 1069091865 /nfs/dbraw/zinc/09/18/65/1069091865.db2.gz GJZXNYYLXXNVPI-TUACAJSNSA-N 1 1 465.642 4.196 20 0 JIADMO 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 1069093035 /nfs/dbraw/zinc/09/30/35/1069093035.db2.gz YGYCFNCCDPUZHJ-NDXORKPFSA-N 1 1 452.521 4.053 20 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474.531 4.386 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849514869 1069099933 /nfs/dbraw/zinc/09/99/33/1069099933.db2.gz AZNYZBBQQHQLFT-VQTJNVASSA-N 1 1 462.063 4.079 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccccc2NC(=O)c2cccs2)[C@@H](c2cnn(C)c2)C1 ZINC000849516417 1069100639 /nfs/dbraw/zinc/10/06/39/1069100639.db2.gz PHVXKLQDUMGWKM-RTBURBONSA-N 1 1 451.596 4.187 20 0 JIADMO COc1ccc(C[C@H](NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2ccccc2)cc1OC ZINC000849517053 1069103504 /nfs/dbraw/zinc/10/35/04/1069103504.db2.gz MPXZRLFQNMFTIW-CYXNTTPDSA-N 1 1 490.648 4.351 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849517966 1069105878 /nfs/dbraw/zinc/10/58/78/1069105878.db2.gz GEDVZKIDNVENAC-DNQXCXABSA-N 1 1 464.541 4.231 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849517635 1069106956 /nfs/dbraw/zinc/10/69/56/1069106956.db2.gz MEHWJMFJBMBNPP-LOSJGSFVSA-N 1 1 471.605 4.076 20 0 JIADMO Cc1ccccc1-n1nc(-c2ccccc2)cc1NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849517851 1069107065 /nfs/dbraw/zinc/10/70/65/1069107065.db2.gz PIPMYIZILGYNCM-PKTZIBPZSA-N 1 1 454.578 4.255 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849519457 1069108169 /nfs/dbraw/zinc/10/81/69/1069108169.db2.gz RLVAFJBDDDZCFJ-IZZNHLLZSA-N 1 1 485.632 4.005 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518809 1069108961 /nfs/dbraw/zinc/10/89/61/1069108961.db2.gz HMNUVKLNCACKFE-FCHUYYIVSA-N 1 1 452.580 4.153 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518631 1069109854 /nfs/dbraw/zinc/10/98/54/1069109854.db2.gz SGTHKYLCTRWBNK-LEWJYISDSA-N 1 1 474.531 4.136 20 0 JIADMO Cc1ccc(-c2cc(NC(=O)[C@@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)n(-c3ccccc3)n2)cc1 ZINC000849519550 1069112668 /nfs/dbraw/zinc/11/26/68/1069112668.db2.gz VGDPXMKRYKTXOB-RPWUZVMVSA-N 1 1 454.578 4.255 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849520577 1069113508 /nfs/dbraw/zinc/11/35/08/1069113508.db2.gz ODZTWYNGGDXNQP-DHIUTWEWSA-N 1 1 456.594 4.094 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2)cc1Br ZINC000849521438 1069113563 /nfs/dbraw/zinc/11/35/63/1069113563.db2.gz SOMROHCMPBGTAE-AWRGLXIESA-N 1 1 497.437 4.132 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849527073 1069124301 /nfs/dbraw/zinc/12/43/01/1069124301.db2.gz UGSPAELEKOEOFM-YADHBBJMSA-N 1 1 481.000 4.173 20 0 JIADMO CC(C)Cn1cc([C@H]2N(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)CC23CCOCC3)cn1 ZINC000849543806 1069177782 /nfs/dbraw/zinc/17/77/82/1069177782.db2.gz VWMVGYOCQCPOEB-DNQXCXABSA-N 1 1 486.607 4.377 20 0 JIADMO COc1ccc(CCN(CC(C)(C)C)C(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849546296 1069181151 /nfs/dbraw/zinc/18/11/51/1069181151.db2.gz AKLHEMQEBLKWDK-LOSJGSFVSA-N 1 1 454.659 4.360 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cc(Cl)c(NC(=O)c3ccncc3)c(Cl)c2)cn1 ZINC000849547143 1069182653 /nfs/dbraw/zinc/18/26/53/1069182653.db2.gz FRXSPDDXFFUAMV-MSOLQXFVSA-N 1 1 487.391 4.048 20 0 JIADMO CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849548050 1069187078 /nfs/dbraw/zinc/18/70/78/1069187078.db2.gz KHVMGYVFBPGTSX-CTNGQTDRSA-N 1 1 485.032 4.376 20 0 JIADMO COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)C1 ZINC000849552311 1069193179 /nfs/dbraw/zinc/19/31/79/1069193179.db2.gz NSWMSORHUFOWLA-IGKWTDBASA-N 1 1 473.061 4.377 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849553044 1069195747 /nfs/dbraw/zinc/19/57/47/1069195747.db2.gz PXKSBMUYXXJWGV-FCHUYYIVSA-N 1 1 481.641 4.412 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCCC2)cn1 ZINC000849555251 1069199236 /nfs/dbraw/zinc/19/92/36/1069199236.db2.gz QNTNMEIHIISREW-FCHUYYIVSA-N 1 1 462.560 4.493 20 0 JIADMO CN(C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000849556204 1069200644 /nfs/dbraw/zinc/20/06/44/1069200644.db2.gz AZKJAIMCOOTSHZ-HJOGWXRNSA-N 1 1 454.977 4.496 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc3cccc(Br)c3n2)[C@H](c2cnn(C)c2)C1 ZINC000849563118 1069211587 /nfs/dbraw/zinc/21/15/87/1069211587.db2.gz PCEMWRHEHPLASM-ROUUACIJSA-N 1 1 456.388 4.183 20 0 JIADMO COc1ccc(F)cc1-c1csc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n1 ZINC000849562181 1069211655 /nfs/dbraw/zinc/21/16/55/1069211655.db2.gz JTJSRUDDOJDYNS-PKOBYXMFSA-N 1 1 457.575 4.144 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849562945 1069212620 /nfs/dbraw/zinc/21/26/20/1069212620.db2.gz HYEKFMHMSNJZIL-ZEQRLZLVSA-N 1 1 469.593 4.325 20 0 JIADMO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849562945 1069212642 /nfs/dbraw/zinc/21/26/42/1069212642.db2.gz HYEKFMHMSNJZIL-ZEQRLZLVSA-N 1 1 469.593 4.325 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849562945 1069212660 /nfs/dbraw/zinc/21/26/60/1069212660.db2.gz HYEKFMHMSNJZIL-ZEQRLZLVSA-N 1 1 469.593 4.325 20 0 JIADMO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849562945 1069212674 /nfs/dbraw/zinc/21/26/74/1069212674.db2.gz HYEKFMHMSNJZIL-ZEQRLZLVSA-N 1 1 469.593 4.325 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849562945 1069212697 /nfs/dbraw/zinc/21/26/97/1069212697.db2.gz HYEKFMHMSNJZIL-ZEQRLZLVSA-N 1 1 469.593 4.325 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)[C@H](c2cnn(C)c2)C1 ZINC000849565830 1069216440 /nfs/dbraw/zinc/21/64/40/1069216440.db2.gz 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Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)c1 ZINC001164731613 720493676 /nfs/dbraw/zinc/49/36/76/720493676.db2.gz WSSFPZYOMBQVNF-KBMIEXCESA-N 1 1 475.008 4.194 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3ccc4ncc(Cl)nc4c3)CC[C@@H]21 ZINC001164839062 720520298 /nfs/dbraw/zinc/52/02/98/720520298.db2.gz SJSHTLIYMKBOMH-MMOPVJDHSA-N 1 1 460.960 4.402 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)ncc3OCc3ccccc3)CC[C@@H]21 ZINC001164840683 720549303 /nfs/dbraw/zinc/54/93/03/720549303.db2.gz SONAVGFTIOMEST-FSSWDIPSSA-N 1 1 467.017 4.283 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)ncc3C(=O)OC(C)(C)C)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842947 720562015 /nfs/dbraw/zinc/56/20/15/720562015.db2.gz ZBUWLQWOXVBLPZ-CMKODMSKSA-N 1 1 460.022 4.265 20 0 JIADMO 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 720597194 /nfs/dbraw/zinc/59/71/94/720597194.db2.gz RVEFYQVHVLBKIL-AABGKKOBSA-N 1 1 487.986 4.311 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(C(=O)OCc4ccccc4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836776 720615645 /nfs/dbraw/zinc/61/56/45/720615645.db2.gz GVQDVDRWGSAQDP-DSNGMDLFSA-N 1 1 459.594 4.013 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-c4nc(-c5cccs5)no4)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840788 720624572 /nfs/dbraw/zinc/62/45/72/720624572.db2.gz QSCMONRRJKLBMR-QHAWAJNXSA-N 1 1 475.622 4.434 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(-c4ccccn4)nc4sccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838774 720631970 /nfs/dbraw/zinc/63/19/70/720631970.db2.gz LSDVJKLHMQDYHG-XQBPLPMBSA-N 1 1 459.623 4.328 20 0 JIADMO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164842849 720634189 /nfs/dbraw/zinc/63/41/89/720634189.db2.gz VWGHEDSXSHZVNR-PWRODBHTSA-N 1 1 452.006 4.075 20 0 JIADMO Fc1ccccc1-c1nc2ccc(Cl)cc2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737773 720659104 /nfs/dbraw/zinc/65/91/04/720659104.db2.gz GXQJGEZYIIAPNN-MSOLQXFVSA-N 1 1 476.943 4.221 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CC2 ZINC001164845318 720699524 /nfs/dbraw/zinc/69/95/24/720699524.db2.gz YCVVLCRSLWPVGA-SFHVURJKSA-N 1 1 473.955 4.483 20 0 JIADMO COC(=O)C[C@H](c1ccnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1)C1CC1 ZINC001164840986 720709843 /nfs/dbraw/zinc/70/98/43/720709843.db2.gz UBSWWJKMYLSPTF-RPBOFIJWSA-N 1 1 463.622 4.398 20 0 JIADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164736877 720718511 /nfs/dbraw/zinc/71/85/11/720718511.db2.gz CADZPVSSENPBCJ-CTNGQTDRSA-N 1 1 488.979 4.091 20 0 JIADMO CN(C)c1cc(C(F)(F)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(Cl)n1 ZINC001164837697 720724878 /nfs/dbraw/zinc/72/48/78/720724878.db2.gz GVAUYQLZNXMOJB-GOSISDBHSA-N 1 1 465.976 4.001 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2nc(N3CCCC3)nc3c2C[NH2+]CC3)C2CC2)nc1 ZINC001164843953 720743193 /nfs/dbraw/zinc/74/31/93/720743193.db2.gz MWBJTBXFGISPGE-XMMPIXPASA-N 1 1 461.658 4.355 20 0 JIADMO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2nc(N3CCCC3)nc3c2CNCC3)C2CC2)nc1 ZINC001164843953 720743199 /nfs/dbraw/zinc/74/31/99/720743199.db2.gz MWBJTBXFGISPGE-XMMPIXPASA-N 1 1 461.658 4.355 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2nc(N3CCCC3)nc3c2CNCC3)C2CC2)nc1 ZINC001164843953 720743206 /nfs/dbraw/zinc/74/32/06/720743206.db2.gz MWBJTBXFGISPGE-XMMPIXPASA-N 1 1 461.658 4.355 20 0 JIADMO COc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164746178 720806582 /nfs/dbraw/zinc/80/65/82/720806582.db2.gz LZYXTARAUAGAOT-UYAOXDASSA-N 1 1 487.938 4.087 20 0 JIADMO COc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164746178 720806585 /nfs/dbraw/zinc/80/65/85/720806585.db2.gz LZYXTARAUAGAOT-UYAOXDASSA-N 1 1 487.938 4.087 20 0 JIADMO c1ncn(C[C@@H]2C[C@H]3CN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744994 720825976 /nfs/dbraw/zinc/82/59/76/720825976.db2.gz VUDNIXYFEKQEQS-KKUQBAQOSA-N 1 1 492.631 4.177 20 0 JIADMO COC[C@]12CCCO[C@H]1CCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)C2 ZINC001164846352 720828578 /nfs/dbraw/zinc/82/85/78/720828578.db2.gz DQEMPBQFWSLBFK-NBGIEHNGSA-N 1 1 452.624 4.442 20 0 JIADMO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164747521 720840290 /nfs/dbraw/zinc/84/02/90/720840290.db2.gz RBFLOOAVSNRZBG-NJNPRVFISA-N 1 1 472.971 4.404 20 0 JIADMO Fc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cc1 ZINC001164745258 720847635 /nfs/dbraw/zinc/84/76/35/720847635.db2.gz NBZMFKSTKZZRPB-RZPFDVGOSA-N 1 1 483.595 4.407 20 0 JIADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741309 720848912 /nfs/dbraw/zinc/84/89/12/720848912.db2.gz DXFVRIXWGAPAMB-UNWVZKJWSA-N 1 1 499.997 4.313 20 0 JIADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751213 720857867 /nfs/dbraw/zinc/85/78/67/720857867.db2.gz QRTLTDZGFLGKHF-HGHGUNKESA-N 1 1 472.971 4.446 20 0 JIADMO COc1cc2c(cc1F)cc(Cl)nc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746819 720861642 /nfs/dbraw/zinc/86/16/42/720861642.db2.gz GPSCXHPMSMXWNG-DBXWQHBBSA-N 1 1 470.980 4.007 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(-c4ccc(Cl)nc4)ccc3C3OCCCO3)CC[C@@H]2C1 ZINC001164854105 720869363 /nfs/dbraw/zinc/86/93/63/720869363.db2.gz JFUIOPIUIASPTJ-ZJSXRUAMSA-N 1 1 488.028 4.011 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4cc(-c5ccc(Cl)cc5)sc43)CC[C@@H]2C1 ZINC001164862960 720875711 /nfs/dbraw/zinc/87/57/11/720875711.db2.gz SEJXIPWBOJSZQE-XLIONFOSSA-N 1 1 459.015 4.185 20 0 JIADMO c1ccc(-c2nccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164754007 720877094 /nfs/dbraw/zinc/87/70/94/720877094.db2.gz QQPDPFYUOJVOGC-LSYYVWMOSA-N 1 1 455.606 4.294 20 0 JIADMO Clc1ccc2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755478 720878127 /nfs/dbraw/zinc/87/81/27/720878127.db2.gz XOWVJBHPSFADGT-LVXARBLLSA-N 1 1 464.013 4.433 20 0 JIADMO Clc1cc2[nH]ccc2c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753421 720878338 /nfs/dbraw/zinc/87/83/38/720878338.db2.gz PJRJDLSWVXRTAX-NLFFAJNJSA-N 1 1 452.002 4.366 20 0 JIADMO c1ccc(COc2cncc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164751554 720878800 /nfs/dbraw/zinc/87/88/00/720878800.db2.gz KYUMZDOHYZDALA-UHSQPCAPSA-N 1 1 485.632 4.206 20 0 JIADMO Cc1c[nH]c2nc(Cl)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755935 720882274 /nfs/dbraw/zinc/88/22/74/720882274.db2.gz NMQMOQPKJIPYHC-CJFMBICVSA-N 1 1 467.017 4.070 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)CC[C@H]2C1 ZINC001164862193 720884070 /nfs/dbraw/zinc/88/40/70/720884070.db2.gz RDWJNNSSCKUDSO-UWJYYQICSA-N 1 1 469.935 4.260 20 0 JIADMO CCOc1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164758761 720887835 /nfs/dbraw/zinc/88/78/35/720887835.db2.gz ZBWUJRKUTRQDMS-SQJMNOBHSA-N 1 1 457.018 4.284 20 0 JIADMO CCc1cc2c(ncnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)s1 ZINC001164755414 720888048 /nfs/dbraw/zinc/88/80/48/720888048.db2.gz LYLWPHDRHSVMSF-RLWLMLJZSA-N 1 1 463.651 4.404 20 0 JIADMO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755666 720889520 /nfs/dbraw/zinc/88/95/20/720889520.db2.gz MKRXWGDRDLYJOV-QDSKXPNFSA-N 1 1 460.981 4.013 20 0 JIADMO c1ccc2c(c1)[nH]c1ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164756570 720894106 /nfs/dbraw/zinc/89/41/06/720894106.db2.gz QIVXOTZKYNZNKO-SKCUWOTOSA-N 1 1 468.605 4.261 20 0 JIADMO c1ccc(COc2cnnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)cc1 ZINC001164758469 720894978 /nfs/dbraw/zinc/89/49/78/720894978.db2.gz YISHVVZCINPZGW-UHSQPCAPSA-N 1 1 485.632 4.206 20 0 JIADMO Clc1ccnc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc12 ZINC001164757810 720895104 /nfs/dbraw/zinc/89/51/04/720895104.db2.gz VQWXCCMHQIPGHW-RLWLMLJZSA-N 1 1 464.013 4.433 20 0 JIADMO 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c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2nccc4c5c([nH]c42)CCC5)C3)c1 ZINC001164750185 720932500 /nfs/dbraw/zinc/93/25/00/720932500.db2.gz JQXDTBNTQHGSEC-SKCUWOTOSA-N 1 1 457.622 4.202 20 0 JIADMO CCc1nc(Cl)nc(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164746486 720935316 /nfs/dbraw/zinc/93/53/16/720935316.db2.gz AYQPWWIOJCEZNO-DVECYGJZSA-N 1 1 476.452 4.496 20 0 JIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)[C@H]2C ZINC001164860506 720937446 /nfs/dbraw/zinc/93/74/46/720937446.db2.gz QGCYOLKILFRNKE-SFHVURJKSA-N 1 1 467.017 4.283 20 0 JIADMO Fc1ccc2c(c1)[nH]c1ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c21 ZINC001164748026 720937976 /nfs/dbraw/zinc/93/79/76/720937976.db2.gz FGCOTOFFSVFWOK-KMRXNPHXSA-N 1 1 486.595 4.400 20 0 JIADMO COc1cc(C)c2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755073 720940141 /nfs/dbraw/zinc/94/01/41/720940141.db2.gz YDHKPHZTNMNZRX-NEKDWFFYSA-N 1 1 473.621 4.097 20 0 JIADMO CCOC(=O)c1sc2nc(C)nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164856412 721001501 /nfs/dbraw/zinc/00/15/01/721001501.db2.gz CDPOGJJNCVUVML-OAHLLOKOSA-N 1 1 456.616 4.103 20 0 JIADMO Clc1cc2nc(Cl)c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2cc1Cl ZINC001164866056 721068140 /nfs/dbraw/zinc/06/81/40/721068140.db2.gz CCYRNMZRNMZBLU-LSDHHAIUSA-N 1 1 464.784 4.465 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)Oc4ccc5nc(Cl)c(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164764179 721124841 /nfs/dbraw/zinc/12/48/41/721124841.db2.gz HHPZMBUEAXIAOK-HUUCEWRRSA-N 1 1 483.350 4.053 20 0 JIADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870265 721136542 /nfs/dbraw/zinc/13/65/42/721136542.db2.gz CDKLKUNOQCUHNJ-ZIAGYGMSSA-N 1 1 463.743 4.461 20 0 JIADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870327 721151756 /nfs/dbraw/zinc/15/17/56/721151756.db2.gz CODJNOOHJODWSC-NHCUHLMSSA-N 1 1 471.939 4.217 20 0 JIADMO COc1cccc(-c2nc3ccccc3c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164869704 721164630 /nfs/dbraw/zinc/16/46/30/721164630.db2.gz AAROMDSFSZRTGP-LADGPHEKSA-N 1 1 467.573 4.180 20 0 JIADMO Fc1ccc(-c2nc(Cl)cc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1Cl ZINC001164876373 721177641 /nfs/dbraw/zinc/17/76/41/721177641.db2.gz LYWFBXDOHRHPLV-MSOLQXFVSA-N 1 1 474.367 4.464 20 0 JIADMO Cc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164877569 721178176 /nfs/dbraw/zinc/17/81/76/721178176.db2.gz OQWMZWHQOKJSCG-BJKOFHAPSA-N 1 1 464.013 4.212 20 0 JIADMO c1ccc(COc2ccc3c(c2)ncnc3N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164873570 721182872 /nfs/dbraw/zinc/18/28/72/721182872.db2.gz IPZBJBZQZPERHO-UKILVPOCSA-N 1 1 467.573 4.084 20 0 JIADMO Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164881188 721184187 /nfs/dbraw/zinc/18/41/87/721184187.db2.gz ZOAVBJJRCJAPIN-FPOVZHCZSA-N 1 1 451.958 4.105 20 0 JIADMO Fc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164870192 721195304 /nfs/dbraw/zinc/19/53/04/721195304.db2.gz UJGJNJDOINOFPQ-PMACEKPBSA-N 1 1 489.929 4.356 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(-c5cccc(Cl)c5)nc5c4CCCC5)C[C@H]3C2)cn1 ZINC001164772842 721223621 /nfs/dbraw/zinc/22/36/21/721223621.db2.gz VMCCMKOYZJDQJE-LEWJYISDSA-N 1 1 463.029 4.368 20 0 JIADMO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]32)C1=O ZINC001164873106 721232073 /nfs/dbraw/zinc/23/20/73/721232073.db2.gz PNMGCJVIQUSNGT-VXNLTHLCSA-N 1 1 492.693 4.031 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4ccccc4Cl)C[C@@H]3C2)cn1 ZINC001164759742 721238228 /nfs/dbraw/zinc/23/82/28/721238228.db2.gz BFICLCGBBGXGCH-SJORKVTESA-N 1 1 459.381 4.268 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4ccccc4Cl)C[C@H]3C2)cn1 ZINC001164759739 721238896 /nfs/dbraw/zinc/23/88/96/721238896.db2.gz BFICLCGBBGXGCH-DLBZAZTESA-N 1 1 459.381 4.268 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4cccc(Cl)c4)C[C@@H]3C2)cn1 ZINC001164766260 721239546 /nfs/dbraw/zinc/23/95/46/721239546.db2.gz UFMGPZHBVKJKBJ-SJORKVTESA-N 1 1 459.381 4.268 20 0 JIADMO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164761401 721239659 /nfs/dbraw/zinc/23/96/59/721239659.db2.gz IACKXLXXOUONTJ-UXHICEINSA-N 1 1 452.990 4.177 20 0 JIADMO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164761402 721240032 /nfs/dbraw/zinc/24/00/32/721240032.db2.gz IACKXLXXOUONTJ-VQTJNVASSA-N 1 1 452.990 4.177 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@@H]43)c2c1C ZINC001164875188 721313981 /nfs/dbraw/zinc/31/39/81/721313981.db2.gz CMSHDKVZVFFSCP-PCCBWWKXSA-N 1 1 479.650 4.362 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(c2ccccn2)c2ccnc([C@H]3COCCN3)n2)nc1 ZINC001164877660 721330646 /nfs/dbraw/zinc/33/06/46/721330646.db2.gz WCZFHCKAGCCPBE-YADHBBJMSA-N 1 1 459.598 4.334 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)c4cccc(C)c43)C2)C1 ZINC001164776819 721348411 /nfs/dbraw/zinc/34/84/11/721348411.db2.gz DCGDNCZXSMUHRH-DEOSSOPVSA-N 1 1 455.990 4.315 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4oc(-c5ccc(C)cc5)nc43)C2)C1 ZINC001164784109 721367223 /nfs/dbraw/zinc/36/72/23/721367223.db2.gz QLEJHTZHBBWDKT-MHZLTWQESA-N 1 1 488.592 4.317 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(Oc4ccc(F)cc4)n3)C2)C1 ZINC001164782250 721368999 /nfs/dbraw/zinc/36/89/99/721368999.db2.gz LOONMWUYLXIZKI-VWLOTQADSA-N 1 1 467.545 4.132 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(Oc4ccc(F)cc4)n3)C2)C1 ZINC001164782250 721369003 /nfs/dbraw/zinc/36/90/03/721369003.db2.gz LOONMWUYLXIZKI-VWLOTQADSA-N 1 1 467.545 4.132 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(SCc4ccccc4)ncn3)C2)C1 ZINC001164782261 721371022 /nfs/dbraw/zinc/37/10/22/721371022.db2.gz LVMXALNTVBDGCU-AREMUKBSSA-N 1 1 479.650 4.493 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(SCc4ccccc4)ncn3)C2)C1 ZINC001164782261 721371025 /nfs/dbraw/zinc/37/10/25/721371025.db2.gz LVMXALNTVBDGCU-AREMUKBSSA-N 1 1 479.650 4.493 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4ccc(Cl)nc4)n3)C2)C1 ZINC001164787092 721372350 /nfs/dbraw/zinc/37/23/50/721372350.db2.gz YWZPWKCFKOIUCV-VWLOTQADSA-N 1 1 483.016 4.224 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)C2)C1 ZINC001164785389 721373270 /nfs/dbraw/zinc/37/32/70/721373270.db2.gz SCWPBDVMKOYRSY-RUZDIDTESA-N 1 1 491.032 4.414 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)C2)C1 ZINC001164785389 721373272 /nfs/dbraw/zinc/37/32/72/721373272.db2.gz SCWPBDVMKOYRSY-RUZDIDTESA-N 1 1 491.032 4.414 20 0 JIADMO CSc1ccc2ncnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2c1 ZINC001164780127 721374739 /nfs/dbraw/zinc/37/47/39/721374739.db2.gz DSXQZPXWDNCWPY-XMMPIXPASA-N 1 1 453.612 4.076 20 0 JIADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780184 721376961 /nfs/dbraw/zinc/37/69/61/721376961.db2.gz FHTKZRPBTSBVET-SSOJOUAXSA-N 1 1 452.603 4.195 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C3)O2)CC1 ZINC001164890539 721398641 /nfs/dbraw/zinc/39/86/41/721398641.db2.gz NZNFYJOOPUIXAF-BFUOFWGJSA-N 1 1 468.256 4.461 20 0 JIADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891335 721422678 /nfs/dbraw/zinc/42/26/78/721422678.db2.gz VKFFSZVVOCWWDD-MZNJEOGPSA-N 1 1 479.452 4.316 20 0 JIADMO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4C[C@H]5C[NH+](Cc6nccs6)C[C@@H]5C4)c23)C1 ZINC001164782741 721427556 /nfs/dbraw/zinc/42/75/56/721427556.db2.gz HRCJPXJKLFXEFU-GUDVDZBRSA-N 1 1 494.734 4.437 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccc(F)cc5)nc5ccccc54)C3)O2)CC1 ZINC001164889591 721434588 /nfs/dbraw/zinc/43/45/88/721434588.db2.gz CCRCLFXPJOWIML-QDPGVEIFSA-N 1 1 475.612 4.201 20 0 JIADMO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2c1C ZINC001164894910 721435135 /nfs/dbraw/zinc/43/51/35/721435135.db2.gz NEZQGYSTHSUCND-CUNXSJBXSA-N 1 1 492.693 4.136 20 0 JIADMO Cn1cnc2c1[C@@H](COCc1cccnc1)N(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164784412 721440975 /nfs/dbraw/zinc/44/09/75/721440975.db2.gz PRDASUNFWNSFOC-HHHXNRCGSA-N 1 1 480.616 4.089 20 0 JIADMO Cc1nc(-c2ccccc2Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1C ZINC001164896519 721442039 /nfs/dbraw/zinc/44/20/39/721442039.db2.gz RKXBDFBZCQUZSC-RLWLMLJZSA-N 1 1 470.061 4.179 20 0 JIADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164887222 721450078 /nfs/dbraw/zinc/45/00/78/721450078.db2.gz JENLCOVJZBQVLX-GJZUVCINSA-N 1 1 486.060 4.250 20 0 JIADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164887217 721450116 /nfs/dbraw/zinc/45/01/16/721450116.db2.gz JENLCOVJZBQVLX-BKMJKUGQSA-N 1 1 486.060 4.250 20 0 JIADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)cc1 ZINC001164890334 721450915 /nfs/dbraw/zinc/45/09/15/721450915.db2.gz QXNBJDUZVGNMDJ-NVQXNPDNSA-N 1 1 486.060 4.250 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(COC)nc(-c3ccccc3)n1)CC2 ZINC001164783257 721451980 /nfs/dbraw/zinc/45/19/80/721451980.db2.gz AUYXLXFQBYGFQF-RUZDIDTESA-N 1 1 480.653 4.024 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc(Cc3ccccc3)n1)CC2 ZINC001164782852 721457818 /nfs/dbraw/zinc/45/78/18/721457818.db2.gz DAPXZQUTYSVRBF-HSZRJFAPSA-N 1 1 485.072 4.455 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3cc(C)ccc31)CC2 ZINC001164786666 721460048 /nfs/dbraw/zinc/46/00/48/721460048.db2.gz PBMCXXVBSIILPI-HXUWFJFHSA-N 1 1 459.034 4.326 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001164787615 721460074 /nfs/dbraw/zinc/46/00/74/721460074.db2.gz RQAHXGDJAFAELV-SFHVURJKSA-N 1 1 483.003 4.495 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001164788617 721461296 /nfs/dbraw/zinc/46/12/96/721461296.db2.gz UTHGNKZXRCUPNM-HSZRJFAPSA-N 1 1 477.093 4.065 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3cccc(OC)c31)CC2 ZINC001164784990 721461357 /nfs/dbraw/zinc/46/13/57/721461357.db2.gz LEDYAECQHHNEFY-IBGZPJMESA-N 1 1 475.033 4.026 20 0 JIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(CCN(Cc4csc(C)n4)C3=O)C2)nc1 ZINC001164890346 721462117 /nfs/dbraw/zinc/46/21/17/721462117.db2.gz RAFFTKIRJNEUOC-WIOPSUGQSA-N 1 1 453.656 4.413 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(Cc3ccccc3)n1)CC2 ZINC001164788621 721464036 /nfs/dbraw/zinc/46/40/36/721464036.db2.gz UVBHCUGWJZTXIV-DEOSSOPVSA-N 1 1 485.072 4.455 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(OCc3ccccc3)n1)CC2 ZINC001164789860 721464245 /nfs/dbraw/zinc/46/42/45/721464245.db2.gz XUWOZHZTTBBMAQ-RUZDIDTESA-N 1 1 465.638 4.395 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001164784465 721464418 /nfs/dbraw/zinc/46/44/18/721464418.db2.gz IDIXNYZCJCVZTN-LJQANCHMSA-N 1 1 483.003 4.495 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)CC2 ZINC001164782444 721464560 /nfs/dbraw/zinc/46/45/60/721464560.db2.gz APMRNVGONULPAM-JOCHJYFZSA-N 1 1 483.657 4.163 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@H](CCN4C(=O)C(C)C)C3)c2c1C ZINC001164889750 721465325 /nfs/dbraw/zinc/46/53/25/721465325.db2.gz ILZFKBLCNPZPDN-WOJBJXKFSA-N 1 1 455.672 4.377 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(-c3ccc(F)cc3)ncn1)CC2 ZINC001164787451 721468203 /nfs/dbraw/zinc/46/82/03/721468203.db2.gz FXVZFFAYEQMRTQ-QHCPKHFHSA-N 1 1 454.590 4.017 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)cc(OCc3ccccc3)n1)CC2 ZINC001164787312 721470926 /nfs/dbraw/zinc/47/09/26/721470926.db2.gz DVQDCIKAPUISNA-VWLOTQADSA-N 1 1 480.653 4.098 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164787973 721471166 /nfs/dbraw/zinc/47/11/66/721471166.db2.gz HGRUGJPGSHPIOX-HXUWFJFHSA-N 1 1 460.619 4.078 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3COC[C@H](CC(=O)N4CCC(F)CC4)[C@@H]3C2)nc1 ZINC001164894362 721479533 /nfs/dbraw/zinc/47/95/33/721479533.db2.gz HMDVSZSGIMJYTA-TVYALGDOSA-N 1 1 472.649 4.068 20 0 JIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)CC2 ZINC001164795913 721501398 /nfs/dbraw/zinc/50/13/98/721501398.db2.gz MXPBIKLGXQHBRX-UHFFFAOYSA-N 1 1 484.029 4.115 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3ccccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164800617 721530598 /nfs/dbraw/zinc/53/05/98/721530598.db2.gz CSSLYGGQRGZJHB-AQNXPRMDSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3ccccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164800617 721530603 /nfs/dbraw/zinc/53/06/03/721530603.db2.gz CSSLYGGQRGZJHB-AQNXPRMDSA-N 1 1 459.928 4.091 20 0 JIADMO CN(Cc1cccnc1)[C@@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164804652 721561604 /nfs/dbraw/zinc/56/16/04/721561604.db2.gz LENCKRHPJIFHHB-OYUWMTPXSA-N 1 1 453.590 4.348 20 0 JIADMO CN(Cc1cccnc1)[C@@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164804654 721562045 /nfs/dbraw/zinc/56/20/45/721562045.db2.gz LENCKRHPJIFHHB-VJGNERBWSA-N 1 1 453.590 4.348 20 0 JIADMO COC(=O)c1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2C)cc1 ZINC001164804023 721574013 /nfs/dbraw/zinc/57/40/13/721574013.db2.gz KSJJKSSTSVMYBN-OHSXHVKISA-N 1 1 472.589 4.107 20 0 JIADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c12 ZINC001164802596 721577682 /nfs/dbraw/zinc/57/76/82/721577682.db2.gz GZRYSVJUZVMZCM-OBDYRVMHSA-N 1 1 482.632 4.360 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3nc(-c4cccs4)no3)ccn2)[C@H]2CCCO[C@H]12 ZINC001164811873 721585282 /nfs/dbraw/zinc/58/52/82/721585282.db2.gz YTVGEGJJJQTEBQ-MZKRTTBSSA-N 1 1 474.590 4.123 20 0 JIADMO COc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc1 ZINC001164805193 721590116 /nfs/dbraw/zinc/59/01/16/721590116.db2.gz KXEYDSOZGDBTFX-AKIFATBCSA-N 1 1 481.984 4.194 20 0 JIADMO COc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc1 ZINC001164805193 721590119 /nfs/dbraw/zinc/59/01/19/721590119.db2.gz KXEYDSOZGDBTFX-AKIFATBCSA-N 1 1 481.984 4.194 20 0 JIADMO COc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164810129 721590453 /nfs/dbraw/zinc/59/04/53/721590453.db2.gz ULMXYYMDCDEFBU-PUHATCMVSA-N 1 1 481.984 4.194 20 0 JIADMO COc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164810129 721590454 /nfs/dbraw/zinc/59/04/54/721590454.db2.gz ULMXYYMDCDEFBU-PUHATCMVSA-N 1 1 481.984 4.194 20 0 JIADMO COC(=O)c1ccc2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164906966 721699391 /nfs/dbraw/zinc/69/93/91/721699391.db2.gz PPXRQJABULFXTR-DEOSSOPVSA-N 1 1 452.505 4.154 20 0 JIADMO COc1cc2c(cc1Cl)ncnc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907830 721705276 /nfs/dbraw/zinc/70/52/76/721705276.db2.gz UMEINIVDFRYFNZ-QFIPXVFZSA-N 1 1 459.928 4.425 20 0 JIADMO COc1ccc2nc(Cl)cc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2n1 ZINC001164907703 721708842 /nfs/dbraw/zinc/70/88/42/721708842.db2.gz SPGNUXGLEYULTB-QFIPXVFZSA-N 1 1 459.928 4.425 20 0 JIADMO CN(C)c1ccc(-c2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164907067 721718698 /nfs/dbraw/zinc/71/86/98/721718698.db2.gz QCIBDFIQILRXHE-RUZDIDTESA-N 1 1 464.564 4.342 20 0 JIADMO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904875 721719237 /nfs/dbraw/zinc/71/92/37/721719237.db2.gz DWDOWMXVEUKEBH-QGZVFWFLSA-N 1 1 461.916 4.096 20 0 JIADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911402 721759166 /nfs/dbraw/zinc/75/91/66/721759166.db2.gz VHTBAXSONDKSOD-UHFFFAOYSA-N 1 1 491.592 4.036 20 0 JIADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911402 721759167 /nfs/dbraw/zinc/75/91/67/721759167.db2.gz VHTBAXSONDKSOD-UHFFFAOYSA-N 1 1 491.592 4.036 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](OCC3CC3)[C@@H]3COC[C@H]32)n1 ZINC001165015616 721763997 /nfs/dbraw/zinc/76/39/97/721763997.db2.gz SQHMBUZJEMWGHI-NRSPTQNISA-N 1 1 450.608 4.050 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@H]3CN(C(=O)c4ccco4)C[C@@H]32)n1 ZINC001165014144 721772236 /nfs/dbraw/zinc/77/22/36/721772236.db2.gz AMZDRGIXPNWHSW-OALUTQOASA-N 1 1 467.639 4.484 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)n1 ZINC001165016807 721785396 /nfs/dbraw/zinc/78/53/96/721785396.db2.gz DYPDDJMFHMKSHN-MHZLTWQESA-N 1 1 499.644 4.233 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C[C@@H]21 ZINC001165020493 721804588 /nfs/dbraw/zinc/80/45/88/721804588.db2.gz FUSCWFNIMNGETE-YZGWKJHDSA-N 1 1 477.003 4.407 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C[C@@H]21 ZINC001165020489 721804647 /nfs/dbraw/zinc/80/46/47/721804647.db2.gz FUSCWFNIMNGETE-YSIASYRMSA-N 1 1 477.003 4.407 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(C(=O)N4CCCCC4)cc(Cl)n3)C[C@H]21 ZINC001165026895 721805186 /nfs/dbraw/zinc/80/51/86/721805186.db2.gz SCJXRCDHBQKTPT-WWPVKYPJSA-N 1 1 468.045 4.493 20 0 JIADMO c1cncc(O[C@@H]2CO[C@@]3(CCN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C3)C2)c1 ZINC001164916497 721806907 /nfs/dbraw/zinc/80/69/07/721806907.db2.gz PHBXXQPTTVFVSD-DCFHFQCYSA-N 1 1 491.661 4.378 20 0 JIADMO COc1ccc(OC)c(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)c1 ZINC001165026775 721827073 /nfs/dbraw/zinc/82/70/73/721827073.db2.gz QFMJMBGJCNGVIH-BFMBIBTESA-N 1 1 459.594 4.293 20 0 JIADMO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)c(OC)c1OC ZINC001165018862 721828473 /nfs/dbraw/zinc/82/84/73/721828473.db2.gz AMGPKPVPRLXHTL-KWOQKUFVSA-N 1 1 489.620 4.301 20 0 JIADMO c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164936982 721913813 /nfs/dbraw/zinc/91/38/13/721913813.db2.gz DIHZCRSUSDSRJN-KDURUIRLSA-N 1 1 495.718 4.317 20 0 JIADMO COC(=O)C[C@@H](c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1)C1CC1 ZINC001164940707 721930731 /nfs/dbraw/zinc/93/07/31/721930731.db2.gz XYUFTECASNEHAL-RUZDIDTESA-N 1 1 463.622 4.318 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC3)C2)cc1 ZINC001164940209 721932747 /nfs/dbraw/zinc/93/27/47/721932747.db2.gz RYUYXGIHAAFUQA-UHFFFAOYSA-N 1 1 499.659 4.160 20 0 JIADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3ccc(=O)n(Cc4csc(C)n4)c3CC2)nc1 ZINC001164954002 722007242 /nfs/dbraw/zinc/00/72/42/722007242.db2.gz UOAKARUEYYSGMI-QHCPKHFHSA-N 1 1 463.651 4.209 20 0 JIADMO Fc1ccc(COc2cccnc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001164963391 722060414 /nfs/dbraw/zinc/06/04/14/722060414.db2.gz YEWBOZRZOICOSC-UHFFFAOYSA-N 1 1 462.569 4.314 20 0 JIADMO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962866 722062251 /nfs/dbraw/zinc/06/22/51/722062251.db2.gz AKBUBSSOPOIQCG-UHFFFAOYSA-N 1 1 462.972 4.283 20 0 JIADMO COc1cc2cnc(Cl)cc2cc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963695 722062511 /nfs/dbraw/zinc/06/25/11/722062511.db2.gz CBRVQVXRGUDWNE-UHFFFAOYSA-N 1 1 452.986 4.411 20 0 JIADMO CC(C)CNC(=O)c1nc2c(s1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164965953 722066235 /nfs/dbraw/zinc/06/62/35/722066235.db2.gz SQPLHAQQFWZVQA-UHFFFAOYSA-N 1 1 475.662 4.087 20 0 JIADMO CC(=O)N1CCC[C@]2(C1)CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CC[C@H](C)C4)CCO2 ZINC001164968650 722083826 /nfs/dbraw/zinc/08/38/26/722083826.db2.gz FWAIXVNURSZZSM-PPHZAIPVSA-N 1 1 497.709 4.020 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CC(C(=O)NC4CCC4)C[C@H]3C2)n1 ZINC001164978475 722085552 /nfs/dbraw/zinc/08/55/52/722085552.db2.gz ZBZOVRRIFWGIIR-OALUTQOASA-N 1 1 455.672 4.281 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)nc1 ZINC001164971286 722090806 /nfs/dbraw/zinc/09/08/06/722090806.db2.gz BAIVPGPDOQPGIC-AKIFATBCSA-N 1 1 454.640 4.018 20 0 JIADMO c1ccc(-c2nc3ccccc3c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164975116 722111275 /nfs/dbraw/zinc/11/12/75/722111275.db2.gz JSMQHQUQMONWQW-JYFHCDHNSA-N 1 1 451.574 4.419 20 0 JIADMO CSc1ccc(Oc2cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164981777 722135025 /nfs/dbraw/zinc/13/50/25/722135025.db2.gz QKNAOCYVMZTWHK-OFNKIYASSA-N 1 1 463.607 4.113 20 0 JIADMO COc1ccc(-c2csc3ncnc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)c23)cc1 ZINC001164982127 722139763 /nfs/dbraw/zinc/13/97/63/722139763.db2.gz RDVNQZCMWKLGCE-XUZZJYLKSA-N 1 1 487.629 4.489 20 0 JIADMO Cc1sc2nc(-c3cccnc3)nc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164978109 722141275 /nfs/dbraw/zinc/14/12/75/722141275.db2.gz JZEKXAQUBNXEOT-XZOQPEGZSA-N 1 1 486.645 4.492 20 0 JIADMO 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Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncnc4c2CCN(Cc2ccccc2)C4)C3)c1 ZINC001164994729 722198374 /nfs/dbraw/zinc/19/83/74/722198374.db2.gz PLLBIJOGSLKGJE-NDEPHWFRSA-N 1 1 457.597 4.419 20 0 JIADMO CC(=O)Nc1ccc(F)c(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC001354545052 1069320016 /nfs/dbraw/zinc/32/00/16/1069320016.db2.gz HAXMAMOPKXXUQG-SFHVURJKSA-N 1 1 451.464 4.311 20 0 JIADMO CP(C)(=O)c1ccc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC001354546126 1069321086 /nfs/dbraw/zinc/32/10/86/1069321086.db2.gz VOMDJHALXCHZKV-IBGZPJMESA-N 1 1 452.457 4.461 20 0 JIADMO Cc1ccccc1CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCC[C@H]1C ZINC001492592908 1069323931 /nfs/dbraw/zinc/32/39/31/1069323931.db2.gz WUSPJRQPMQTEAQ-FYYLOGMGSA-N 1 1 498.672 4.016 20 0 JIADMO COc1ccccc1OCc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C[C@H](OC)C(C)(C)C ZINC001300651474 1069335829 /nfs/dbraw/zinc/33/58/29/1069335829.db2.gz BGKNGILGVCQLQZ-YKSBVNFPSA-N 1 1 485.673 4.237 20 0 JIADMO 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CC(C)(C)c1ccc(-c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CCSC(F)(F)F)cc1 ZINC001359497090 1069734993 /nfs/dbraw/zinc/73/49/93/1069734993.db2.gz GTMLDVLUKPDABH-GOSISDBHSA-N 1 1 469.577 4.016 20 0 JIADMO CC(C)(C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001359503447 1069770847 /nfs/dbraw/zinc/77/08/47/1069770847.db2.gz QVXFYNXKJJWLCN-FQEVSTJZSA-N 1 1 498.638 4.268 20 0 JIADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC(C)(C)c1cccs1 ZINC001359515296 1069801777 /nfs/dbraw/zinc/80/17/77/1069801777.db2.gz QWZJCGFCYWRLJE-OAQYLSRUSA-N 1 1 497.709 4.177 20 0 JIADMO CC(C)(C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@](C)(O)c1ccsc1 ZINC001359515542 1069802322 /nfs/dbraw/zinc/80/23/22/1069802322.db2.gz ZMULZRXHTQWCST-DEOSSOPVSA-N 1 1 457.619 4.006 20 0 JIADMO CC(C)(C)c1nnc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1CCCOC(F)(F)F ZINC001359518778 1069805683 /nfs/dbraw/zinc/80/56/83/1069805683.db2.gz NXJYPLQYLYCIIC-KDURUIRLSA-N 1 1 451.537 4.070 20 0 JIADMO 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CC(C)=CCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001359613220 1070078101 /nfs/dbraw/zinc/07/81/01/1070078101.db2.gz PYVAVIYJIRVRJJ-QFIPXVFZSA-N 1 1 460.022 4.168 20 0 JIADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC[N@H+](C)C(C)C)C1 ZINC001359620486 1070094048 /nfs/dbraw/zinc/09/40/48/1070094048.db2.gz RWGCSQFYHFSQMH-OAQYLSRUSA-N 1 1 486.730 4.357 20 0 JIADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC3CCCC3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001359623063 1070101515 /nfs/dbraw/zinc/10/15/15/1070101515.db2.gz NZEDCCVVQREGFU-DEOSSOPVSA-N 1 1 484.664 4.023 20 0 JIADMO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@H+](C)C(C)C)C1 ZINC001359627001 1070124651 /nfs/dbraw/zinc/12/46/51/1070124651.db2.gz AQNCCCCKBGQFKK-HXUWFJFHSA-N 1 1 475.081 4.317 20 0 JIADMO CC(C)C(=O)NCCn1c(C2CCCC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001359641576 1070177373 /nfs/dbraw/zinc/17/73/73/1070177373.db2.gz QOPRZDMBBFSSJG-ZJSXRUAMSA-N 1 1 466.674 4.197 20 0 JIADMO CC(C)C(C)(C)Cn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001359644763 1070188790 /nfs/dbraw/zinc/18/87/90/1070188790.db2.gz YRPHCDBUFZLADR-NZQKXSOJSA-N 1 1 464.662 4.275 20 0 JIADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001359655005 1070222933 /nfs/dbraw/zinc/22/29/33/1070222933.db2.gz NGEVGZCTQCJMTK-HXUWFJFHSA-N 1 1 460.711 4.217 20 0 JIADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001359656477 1070235998 /nfs/dbraw/zinc/23/59/98/1070235998.db2.gz QFMZYEUQCRRRHD-UXHICEINSA-N 1 1 487.092 4.460 20 0 JIADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCn3cc[nH+]c32)CC1 ZINC001359657576 1070247708 /nfs/dbraw/zinc/24/77/08/1070247708.db2.gz KDCBJRYQQGIIME-PZJWPPBQSA-N 1 1 469.678 4.018 20 0 JIADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001359657935 1070250883 /nfs/dbraw/zinc/25/08/83/1070250883.db2.gz QMIUVFDVDDVYGY-OAQYLSRUSA-N 1 1 498.691 4.260 20 0 JIADMO CC(C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1c(F)cccc1Cl)[NH+]1CCOCC1 ZINC001359662458 1070282409 /nfs/dbraw/zinc/28/24/09/1070282409.db2.gz ZUUOGYRMOHMWIE-VXKWHMMOSA-N 1 1 480.028 4.305 20 0 JIADMO CC(C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001359662795 1070285162 /nfs/dbraw/zinc/28/51/62/1070285162.db2.gz GNLXVTIPSJOGNH-IPJJNNNSSA-N 1 1 478.106 4.209 20 0 JIADMO CC(C)c1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1Cc1cccc(Br)n1 ZINC001359678367 1070333563 /nfs/dbraw/zinc/33/35/63/1070333563.db2.gz DGTXZBVUVHHYFR-HXUWFJFHSA-N 1 1 469.431 4.318 20 0 JIADMO CC(C)c1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001359679010 1070334001 /nfs/dbraw/zinc/33/40/01/1070334001.db2.gz VPMDXZRHRKDOQC-FQEVSTJZSA-N 1 1 492.615 4.272 20 0 JIADMO CC(C)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001359679272 1070334870 /nfs/dbraw/zinc/33/48/70/1070334870.db2.gz CPIYUBYFGYSXGA-QFIPXVFZSA-N 1 1 477.097 4.152 20 0 JIADMO CC(C)c1nnc(N(C)CCN2CCN(c3ccccc3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001359685552 1070341818 /nfs/dbraw/zinc/34/18/18/1070341818.db2.gz WUEWDQGKWYPTDS-XMMPIXPASA-N 1 1 481.714 4.024 20 0 JIADMO CC(C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001359686131 1070342850 /nfs/dbraw/zinc/34/28/50/1070342850.db2.gz SSCJTRAQYANIIH-KTIWRFAQSA-N 1 1 492.716 4.175 20 0 JIADMO CC(C)c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359686131 1070342867 /nfs/dbraw/zinc/34/28/67/1070342867.db2.gz SSCJTRAQYANIIH-KTIWRFAQSA-N 1 1 492.716 4.175 20 0 JIADMO CC(C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001359692452 1070351414 /nfs/dbraw/zinc/35/14/14/1070351414.db2.gz PPHFHPIUMIXJNG-OFVILXPXSA-N 1 1 493.618 4.496 20 0 JIADMO CC(C)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCn1cc(Br)cn1 ZINC001359707305 1070374910 /nfs/dbraw/zinc/37/49/10/1070374910.db2.gz QLHBYXYEQHFRRJ-RBUKOAKNSA-N 1 1 478.483 4.152 20 0 JIADMO CC(C)c1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001359706868 1070373313 /nfs/dbraw/zinc/37/33/13/1070373313.db2.gz IOVPPISJWAEQJB-LADGPHEKSA-N 1 1 480.701 4.437 20 0 JIADMO CC(C)c1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001359708458 1070377431 /nfs/dbraw/zinc/37/74/31/1070377431.db2.gz QEFFCEFUMDYLKB-LJQANCHMSA-N 1 1 482.620 4.134 20 0 JIADMO CC(C)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001359708826 1070377849 /nfs/dbraw/zinc/37/78/49/1070377849.db2.gz WYUCAFPWAYXQOE-UYAOXDASSA-N 1 1 453.553 4.470 20 0 JIADMO CC(C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001359711524 1070378936 /nfs/dbraw/zinc/37/89/36/1070378936.db2.gz KGPXMQOXJOXRQJ-QFIPXVFZSA-N 1 1 458.695 4.285 20 0 JIADMO CC(C)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001359711384 1070379009 /nfs/dbraw/zinc/37/90/09/1070379009.db2.gz DKRQOQOUMDACEK-OAQYLSRUSA-N 1 1 470.637 4.158 20 0 JIADMO CC(C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001359711634 1070379982 /nfs/dbraw/zinc/37/99/82/1070379982.db2.gz NKKDQMKBYTVYFO-NHTMILBNSA-N 1 1 487.714 4.106 20 0 JIADMO COc1ccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001315483148 1064347993 /nfs/dbraw/zinc/34/79/93/1064347993.db2.gz KXZMTKBUDSCZCK-REWPJTCUSA-N 1 1 498.672 4.479 20 0 JIADMO COc1ccc(Cn2c(C3CCCC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1Cl ZINC001315492897 1064379281 /nfs/dbraw/zinc/37/92/81/1064379281.db2.gz HVWYHCNFEZXJQE-UHFFFAOYSA-N 1 1 462.038 4.193 20 0 JIADMO COc1ccc(Cn2c(C3CCCC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1Cl ZINC001315492897 1064379288 /nfs/dbraw/zinc/37/92/88/1064379288.db2.gz HVWYHCNFEZXJQE-UHFFFAOYSA-N 1 1 462.038 4.193 20 0 JIADMO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC ZINC001315499362 1064396293 /nfs/dbraw/zinc/39/62/93/1064396293.db2.gz RKGPYXJBUNQFTK-UHFFFAOYSA-N 1 1 457.663 4.489 20 0 JIADMO COc1ccc(Cn2c(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)nnc2C(C)(C)C)c(C(F)(F)F)c1 ZINC001315508063 1064430729 /nfs/dbraw/zinc/43/07/29/1064430729.db2.gz QCBWKMQEXRDMNN-DOTOQJQBSA-N 1 1 451.537 4.324 20 0 JIADMO COc1ccc(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001315534704 1064523307 /nfs/dbraw/zinc/52/33/07/1064523307.db2.gz UZCBGEIUVWRENM-BJKOFHAPSA-N 1 1 485.673 4.237 20 0 JIADMO COc1cccc([C@H](C)N2CCN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC001315544584 1064547281 /nfs/dbraw/zinc/54/72/81/1064547281.db2.gz DVPRZYDKMCHLIJ-FKBYEOEOSA-N 1 1 468.690 4.235 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCO[C@@H](C)C3)CC2)c1 ZINC001315545070 1064548896 /nfs/dbraw/zinc/54/88/96/1064548896.db2.gz KJYHRCHEZAYMMM-PCCBWWKXSA-N 1 1 455.647 4.283 20 0 JIADMO COc1cccc([C@H](C)N2CCN(c3nnc(-c4ccc[nH]4)n3CC[NH+](C(C)C)C(C)C)CC2)c1 ZINC001315545311 1064550426 /nfs/dbraw/zinc/55/04/26/1064550426.db2.gz NDYGUDVMQODBNE-QFIPXVFZSA-N 1 1 479.673 4.284 20 0 JIADMO COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C(C)C)n3CC(F)(F)Br)CC2)c1 ZINC001315545942 1064551521 /nfs/dbraw/zinc/55/15/21/1064551521.db2.gz QGNUVSQEBKZOLC-HNNXBMFYSA-N 1 1 472.378 4.281 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc([C@@H]4CCOC4)n3CCCC(F)(F)F)CC2)c1 ZINC001315546514 1064554192 /nfs/dbraw/zinc/55/41/92/1064554192.db2.gz WDJKVYGNIODIAH-IEBWSBKVSA-N 1 1 467.536 4.016 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C(C)(C)C)n3CCCOC(F)(F)F)CC2)c1 ZINC001315547007 1064555522 /nfs/dbraw/zinc/55/55/22/1064555522.db2.gz ZSIOVFWIGWTEHY-QGZVFWFLSA-N 1 1 469.552 4.394 20 0 JIADMO COc1cccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CCC2(F)CCC2)c1 ZINC001315549245 1064563385 /nfs/dbraw/zinc/56/33/85/1064563385.db2.gz GOOGOEXSEQSFGN-UHFFFAOYSA-N 1 1 459.610 4.031 20 0 JIADMO COc1cccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2Cc2c(C)coc2C)c1 ZINC001315550443 1064566793 /nfs/dbraw/zinc/56/67/93/1064566793.db2.gz XSWCPMILQIKIHK-UHFFFAOYSA-N 1 1 467.614 4.006 20 0 JIADMO COc1cccc(-c2nnc(N(C)Cc3cscn3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001315552494 1064569496 /nfs/dbraw/zinc/56/94/96/1064569496.db2.gz QTCGXOXRLBWNJJ-LJQANCHMSA-N 1 1 454.644 4.415 20 0 JIADMO COc1cccc(-c2nnc(N3CCC(C)=C(Br)C3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001315555924 1064575306 /nfs/dbraw/zinc/57/53/06/1064575306.db2.gz NKHQYIJIERABGD-UHFFFAOYSA-N 1 1 458.404 4.095 20 0 JIADMO COc1cccc(-c2nnc(N3CCC(CCCO)CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001315557866 1064578905 /nfs/dbraw/zinc/57/89/05/1064578905.db2.gz MXFKJEWFXFAKET-SFTDATJTSA-N 1 1 455.647 4.063 20 0 JIADMO COc1cccc(-c2nnc(N3CC[NH+]([C@@H](C)c4ccsc4)CC3)n2CC(C)(C)OC)c1 ZINC001315563599 1064591887 /nfs/dbraw/zinc/59/18/87/1064591887.db2.gz NRXYECOESSTUBE-SFHVURJKSA-N 1 1 455.628 4.323 20 0 JIADMO COc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001315567899 1064601643 /nfs/dbraw/zinc/60/16/43/1064601643.db2.gz UVXDDVIVFKPSMI-GHTZIAJQSA-N 1 1 481.563 4.376 20 0 JIADMO COc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001315567933 1064601816 /nfs/dbraw/zinc/60/18/16/1064601816.db2.gz VNIHNINQMAPASH-YLJYHZDGSA-N 1 1 481.563 4.232 20 0 JIADMO COc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001315571055 1064614997 /nfs/dbraw/zinc/61/49/97/1064614997.db2.gz NWDPWADKBIEHIV-ZFGGDYGUSA-N 1 1 482.673 4.134 20 0 JIADMO COc1cccc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001315577561 1064637772 /nfs/dbraw/zinc/63/77/72/1064637772.db2.gz MYUVGEUARQUQGA-REWPJTCUSA-N 1 1 498.672 4.479 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CCCc2ccccn2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001315594963 1064692370 /nfs/dbraw/zinc/69/23/70/1064692370.db2.gz WOJYZJURFAVBCI-SZPZYZBQSA-N 1 1 492.668 4.306 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001315600347 1064707685 /nfs/dbraw/zinc/70/76/85/1064707685.db2.gz XFWFCCZIBXWWRC-KOSHJBKYSA-N 1 1 495.590 4.215 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001315601162 1064709625 /nfs/dbraw/zinc/70/96/25/1064709625.db2.gz WCEXZNGMGDUUNN-QFIPXVFZSA-N 1 1 485.673 4.094 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC[C@](C)(OC)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001315603424 1064715021 /nfs/dbraw/zinc/71/50/21/1064715021.db2.gz DKFYZPXYRLJQET-RLWLMLJZSA-N 1 1 455.647 4.471 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@@](C)(O)C(C)C ZINC001315606525 1064722947 /nfs/dbraw/zinc/72/29/47/1064722947.db2.gz IJSNFHJXPPEQLY-KBMIEXCESA-N 1 1 469.655 4.305 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CCC(C)(C)O ZINC001315606857 1064723437 /nfs/dbraw/zinc/72/34/37/1064723437.db2.gz MAIXEPXIIWHJIW-SFHVURJKSA-N 1 1 455.628 4.059 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001315607023 1064724023 /nfs/dbraw/zinc/72/40/23/1064724023.db2.gz FGVBODYJQPDUBO-NHCUHLMSSA-N 1 1 498.672 4.178 20 0 JIADMO 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/nfs/dbraw/zinc/23/64/96/1066236496.db2.gz UFABJNYAPKJFOD-UHFFFAOYSA-N 1 1 487.442 4.312 20 0 JIADMO Cc1cccc(-c2nnc(N(C)Cc3ccc(F)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492499378 1066247236 /nfs/dbraw/zinc/24/72/36/1066247236.db2.gz OJORFRGZXAXGMC-BGYRXZFFSA-N 1 1 466.605 4.312 20 0 JIADMO CSCc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001316432232 1066273617 /nfs/dbraw/zinc/27/36/17/1066273617.db2.gz DHZNUQZFRQMKPC-HSZRJFAPSA-N 1 1 457.688 4.250 20 0 JIADMO CSC[C@@H]1CCCN1c1nnc(-c2ccc(C)c(Br)c2)n1CCC[NH+]1CCOCC1 ZINC001316436787 1066288863 /nfs/dbraw/zinc/28/88/63/1066288863.db2.gz NZYJIQQMALSCFQ-IBGZPJMESA-N 1 1 494.503 4.070 20 0 JIADMO CSC[C@@H]1CCCN1c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001316437527 1066291309 /nfs/dbraw/zinc/29/13/09/1066291309.db2.gz BRWJJDYNWLQCFY-VXKWHMMOSA-N 1 1 478.106 4.211 20 0 JIADMO O=C(COc1ccc(Cl)cc1Br)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001326327635 1066292299 /nfs/dbraw/zinc/29/22/99/1066292299.db2.gz FUNGPPLJIMUKCS-QGZVFWFLSA-N 1 1 451.792 4.162 20 0 JIADMO CSC[C@H]1CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001316442996 1066306288 /nfs/dbraw/zinc/30/62/88/1066306288.db2.gz WIZCIDIJECLWNZ-RBBKRZOGSA-N 1 1 459.708 4.126 20 0 JIADMO CSC[C@H]1CCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001316443052 1066306930 /nfs/dbraw/zinc/30/69/30/1066306930.db2.gz WUSFGDXBAKLKRX-ISKFKSNPSA-N 1 1 487.714 4.163 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2C(F)F)C1 ZINC001326981754 1066309044 /nfs/dbraw/zinc/30/90/44/1066309044.db2.gz CHEQQXQCDBCMNA-NSHDSACASA-N 1 1 465.854 4.339 20 0 JIADMO CSCC[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC[N@@H+]1CCOC[C@H]1C ZINC001316446996 1066320210 /nfs/dbraw/zinc/32/02/10/1066320210.db2.gz NREGKYLHCROXLF-IAGOWNOFSA-N 1 1 482.492 4.006 20 0 JIADMO CSCC[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1CC[N@H+]1CCOC[C@H]1C ZINC001316446996 1066320228 /nfs/dbraw/zinc/32/02/28/1066320228.db2.gz NREGKYLHCROXLF-IAGOWNOFSA-N 1 1 482.492 4.006 20 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CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC001475325830 1066343482 /nfs/dbraw/zinc/34/34/82/1066343482.db2.gz WKIWYFASOVTOSH-DEOSSOPVSA-N 1 1 458.672 4.352 20 0 JIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cncc(OCC(F)F)c2)CC1 ZINC001331416376 1066360095 /nfs/dbraw/zinc/36/00/95/1066360095.db2.gz UXPNGNLOZGTROG-UHFFFAOYSA-N 1 1 457.443 4.481 20 0 JIADMO CSCCCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001316465934 1066367710 /nfs/dbraw/zinc/36/77/10/1066367710.db2.gz SKLPEPYXCPXILY-UHFFFAOYSA-N 1 1 457.688 4.048 20 0 JIADMO CSCCCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001316465934 1066367722 /nfs/dbraw/zinc/36/77/22/1066367722.db2.gz SKLPEPYXCPXILY-UHFFFAOYSA-N 1 1 457.688 4.048 20 0 JIADMO CSCCCn1c(-c2cccn2C)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001316473954 1066381709 /nfs/dbraw/zinc/38/17/09/1066381709.db2.gz RVYZCQSLZAEVFA-UHFFFAOYSA-N 1 1 452.672 4.385 20 0 JIADMO Cc1cccc(-c2nnc(N3C[C@@H](CC4CC4)[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001492522156 1066389872 /nfs/dbraw/zinc/38/98/72/1066389872.db2.gz HCGOLHOWIGTRPP-FYYLOGMGSA-N 1 1 497.688 4.118 20 0 JIADMO Cc1cccc([C@H]2CCN(c3nnc(CC(C)(C)C)n3CC3CCN(CC[NH+](C)C)CC3)C2)c1 ZINC001492523948 1066395900 /nfs/dbraw/zinc/39/59/00/1066395900.db2.gz CCJBVJXFWUQBFY-VWLOTQADSA-N 1 1 466.718 4.443 20 0 JIADMO C[C@@H](C1CCCCC1)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC[NH+]1CCOCC1 ZINC001316482350 1066398913 /nfs/dbraw/zinc/39/89/13/1066398913.db2.gz UJDGDLNCEHIMJN-IBGZPJMESA-N 1 1 461.601 4.274 20 0 JIADMO C[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1O ZINC001316483852 1066402278 /nfs/dbraw/zinc/40/22/78/1066402278.db2.gz VMZUEHHEXMHXLW-QPPBQGQZSA-N 1 1 483.701 4.484 20 0 JIADMO COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)Nc1c[nH]c2ccc(Br)cc12 ZINC001336645159 1066442146 /nfs/dbraw/zinc/44/21/46/1066442146.db2.gz HDXCOIREWBDQSL-MRXNPFEDSA-N 1 1 453.134 4.340 20 0 JIADMO Cc1cccc(CCn2c(Cc3c(F)cccc3F)nnc2N2CCC[N@H+](C(C)C)CC2)n1 ZINC001492531282 1066451916 /nfs/dbraw/zinc/45/19/16/1066451916.db2.gz XZZRQBYXBVBUGX-UHFFFAOYSA-N 1 1 454.569 4.014 20 0 JIADMO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C[C@H](C)C1(F)F ZINC001316499694 1066457853 /nfs/dbraw/zinc/45/78/53/1066457853.db2.gz DFGFVZGCSPOWKN-AXVVYFOYSA-N 1 1 467.992 4.466 20 0 JIADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCC[N@H+]2C2CC2)CCN1C(=O)OC(C)(C)C ZINC001316501151 1066461517 /nfs/dbraw/zinc/46/15/17/1066461517.db2.gz PAJPEUVPEYUKSW-PZJWPPBQSA-N 1 1 474.694 4.329 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccc3Br)n2CC2CCCC2)C[C@H](C)O1 ZINC001316502676 1066465840 /nfs/dbraw/zinc/46/58/40/1066465840.db2.gz BTXRHRJJIHJYKL-HDICACEKSA-N 1 1 476.463 4.443 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccc3Br)n2CC2CCCC2)C[C@H](C)O1 ZINC001316502676 1066465848 /nfs/dbraw/zinc/46/58/48/1066465848.db2.gz BTXRHRJJIHJYKL-HDICACEKSA-N 1 1 476.463 4.443 20 0 JIADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCc1c(F)cccc1F ZINC001316503594 1066470310 /nfs/dbraw/zinc/47/03/10/1066470310.db2.gz AOIGFRNTKALAGA-SFHVURJKSA-N 1 1 461.601 4.077 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)nc3)n2CCCc2ccccc2)C[C@H](C)O1 ZINC001316503836 1066472299 /nfs/dbraw/zinc/47/22/99/1066472299.db2.gz PUIMIGOSTVEHEI-BGYRXZFFSA-N 1 1 469.033 4.172 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)nc3)n2CCCc2ccccc2)C[C@H](C)O1 ZINC001316503836 1066472311 /nfs/dbraw/zinc/47/23/11/1066472311.db2.gz PUIMIGOSTVEHEI-BGYRXZFFSA-N 1 1 469.033 4.172 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(C)(C)C)n2CCCNc2ccc(C(F)(F)F)cn2)C[C@H](C)O1 ZINC001316504417 1066474203 /nfs/dbraw/zinc/47/42/03/1066474203.db2.gz XTVWSNOWBWHYFB-HDICACEKSA-N 1 1 497.610 4.037 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(C)(C)C)n2CCCNc2ccc(C(F)(F)F)cn2)C[C@H](C)O1 ZINC001316504417 1066474222 /nfs/dbraw/zinc/47/42/22/1066474222.db2.gz XTVWSNOWBWHYFB-HDICACEKSA-N 1 1 497.610 4.037 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccc3Br)n2CCC(C)(F)F)C[C@H](C)O1 ZINC001316504402 1066474521 /nfs/dbraw/zinc/47/45/21/1066474521.db2.gz XKVSBAFBESOLSB-IYBDPMFKSA-N 1 1 486.405 4.298 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccc3Br)n2CCC(C)(F)F)C[C@H](C)O1 ZINC001316504402 1066474533 /nfs/dbraw/zinc/47/45/33/1066474533.db2.gz XKVSBAFBESOLSB-IYBDPMFKSA-N 1 1 486.405 4.298 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc(Br)c3)n2CCOC(C)(C)C)C[C@H](C)O1 ZINC001316504488 1066475586 /nfs/dbraw/zinc/47/55/86/1066475586.db2.gz ZNYQCQVFHMTZKN-HDICACEKSA-N 1 1 494.478 4.068 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc(Br)c3)n2CCOC(C)(C)C)C[C@H](C)O1 ZINC001316504488 1066475614 /nfs/dbraw/zinc/47/56/14/1066475614.db2.gz ZNYQCQVFHMTZKN-HDICACEKSA-N 1 1 494.478 4.068 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CCCc3ccccc3)n2CC2(O)CCCCCC2)C[C@H](C)O1 ZINC001316504629 1066475872 /nfs/dbraw/zinc/47/58/72/1066475872.db2.gz ILLXGFDYNIHSGE-PSWAGMNNSA-N 1 1 483.701 4.084 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CCCc3ccccc3)n2CC2(O)CCCCCC2)C[C@H](C)O1 ZINC001316504629 1066475882 /nfs/dbraw/zinc/47/58/82/1066475882.db2.gz ILLXGFDYNIHSGE-PSWAGMNNSA-N 1 1 483.701 4.084 20 0 JIADMO FC(F)[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC[N@@H+]2CC=CCC2)C1 ZINC001316516121 1066512317 /nfs/dbraw/zinc/51/23/17/1066512317.db2.gz GVXRFRBECKDJAB-MRXNPFEDSA-N 1 1 466.374 4.451 20 0 JIADMO FC(F)COCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001316520335 1066525019 /nfs/dbraw/zinc/52/50/19/1066525019.db2.gz UOHQCXKFMIFLKJ-UHFFFAOYSA-N 1 1 453.965 4.335 20 0 JIADMO CCN(C(=O)c1cn(-c2ccc(Br)cc2)nn1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001338103347 1066531142 /nfs/dbraw/zinc/53/11/42/1066531142.db2.gz JGNDQZCXHFTEHR-UWJYYQICSA-N 1 1 468.399 4.327 20 0 JIADMO Fc1cccc(C[NH+]2CCN(c3nnc([C@@H]4CCCCO4)n3CCSCC(F)(F)F)CC2)c1 ZINC001316523845 1066534315 /nfs/dbraw/zinc/53/43/15/1066534315.db2.gz HVFNAAKLSYBDCJ-IBGZPJMESA-N 1 1 487.567 4.277 20 0 JIADMO O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)C1 ZINC001338428301 1066554048 /nfs/dbraw/zinc/55/40/48/1066554048.db2.gz BMGOJYIELNOXHH-NRFANRHFSA-N 1 1 489.620 4.195 20 0 JIADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)CC2)c1C ZINC001338539164 1066562698 /nfs/dbraw/zinc/56/26/98/1066562698.db2.gz SUWGDWUAXMUJME-HNNXBMFYSA-N 1 1 457.644 4.417 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)N(Cc3ccccc3)Cc3ccccc3F)c2)CC1 ZINC001338637979 1066566849 /nfs/dbraw/zinc/56/68/49/1066566849.db2.gz KGULWLWIXFSPGH-UHFFFAOYSA-N 1 1 460.597 4.485 20 0 JIADMO COc1cc(CNC(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)cc(Cl)c1OC ZINC001340493943 1066580991 /nfs/dbraw/zinc/58/09/91/1066580991.db2.gz IHTQQAZUTVQBGX-UHFFFAOYSA-N 1 1 481.424 4.022 20 0 JIADMO Cc1cccc(NC2CCN(c3nnc(C(C)C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001492536074 1066586518 /nfs/dbraw/zinc/58/65/18/1066586518.db2.gz JVYXVBAJPBLKBQ-SZPZYZBQSA-N 1 1 454.663 4.290 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCOC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001492536562 1066588604 /nfs/dbraw/zinc/58/86/04/1066588604.db2.gz BLRQJFIFXRLUKS-BHIFYINESA-N 1 1 455.647 4.147 20 0 JIADMO OCCC[N@H+]1CCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001316590249 1066619424 /nfs/dbraw/zinc/61/94/24/1066619424.db2.gz NAXLCIZZFRXPKA-INIZCTEOSA-N 1 1 483.501 4.104 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)C[C@H]3CC=CCC3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001492539088 1066621429 /nfs/dbraw/zinc/62/14/29/1066621429.db2.gz BYIJICRLQGOHHP-QFIPXVFZSA-N 1 1 453.631 4.069 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)C[C@H]3CC=CCC3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001492539088 1066621441 /nfs/dbraw/zinc/62/14/41/1066621441.db2.gz BYIJICRLQGOHHP-QFIPXVFZSA-N 1 1 453.631 4.069 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001492542726 1066660984 /nfs/dbraw/zinc/66/09/84/1066660984.db2.gz RJQZZXICAGUTIG-UPVQGACJSA-N 1 1 469.674 4.395 20 0 JIADMO CCOc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)ccc1OCC(=O)N1CCCCC1 ZINC001317760758 1066673906 /nfs/dbraw/zinc/67/39/06/1066673906.db2.gz UEYIMVPRPQPKLM-UHFFFAOYSA-N 1 1 493.648 4.133 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@H]2CCOC[C@@H]2C)c1 ZINC001492543858 1066676274 /nfs/dbraw/zinc/67/62/74/1066676274.db2.gz ZVVUIHWYDYBOEE-LADGPHEKSA-N 1 1 469.674 4.395 20 0 JIADMO Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)C2=O)cc1 ZINC001348347714 1066738179 /nfs/dbraw/zinc/73/81/79/1066738179.db2.gz SPMDXSRFKRNKIW-UMSHPIDHSA-N 1 1 457.983 4.104 20 0 JIADMO CCc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cs2)cc1 ZINC001348476132 1066748288 /nfs/dbraw/zinc/74/82/88/1066748288.db2.gz LWNKQZOIFDRCBF-PGRDOPGGSA-N 1 1 463.603 4.309 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@]2(O)CCC[C@H]2C)c1 ZINC001492546083 1066768569 /nfs/dbraw/zinc/76/85/69/1066768569.db2.gz OXUXBKYLHOQEHU-QFQXNSOFSA-N 1 1 455.647 4.027 20 0 JIADMO Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001348777107 1066777728 /nfs/dbraw/zinc/77/77/28/1066777728.db2.gz VTOZMAARWFORIF-NHCUHLMSSA-N 1 1 454.617 4.314 20 0 JIADMO O=C(Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC001348901632 1066788223 /nfs/dbraw/zinc/78/82/23/1066788223.db2.gz WOQNOUQSNPCXCT-OAQYLSRUSA-N 1 1 473.499 4.020 20 0 JIADMO C[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)c2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC001317958507 1066811912 /nfs/dbraw/zinc/81/19/12/1066811912.db2.gz UHUCWXXUUVSOJO-HSZRJFAPSA-N 1 1 495.048 4.123 20 0 JIADMO Cc1ncsc1CCn1c(COc2cccc(C)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001492546489 1066827220 /nfs/dbraw/zinc/82/72/20/1066827220.db2.gz WVSRXAMZODZFQD-UHFFFAOYSA-N 1 1 468.671 4.484 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3)cc2)C[C@H](C)O1 ZINC001317999256 1066841864 /nfs/dbraw/zinc/84/18/64/1066841864.db2.gz BONBCVLMUWULHY-UMTXDNHDSA-N 1 1 487.648 4.417 20 0 JIADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)[C@H]1CC(=O)N(C)c3ccccc31)CC2 ZINC001318018545 1066854937 /nfs/dbraw/zinc/85/49/37/1066854937.db2.gz DTSFZTOYAOPKFT-QHCPKHFHSA-N 1 1 485.584 4.351 20 0 JIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CC(=O)N(C)c3ccccc31)CC2 ZINC001318018545 1066854943 /nfs/dbraw/zinc/85/49/43/1066854943.db2.gz DTSFZTOYAOPKFT-QHCPKHFHSA-N 1 1 485.584 4.351 20 0 JIADMO C[NH+](C)[C@@H](CNC(=O)c1cc(I)c(Cl)cc1Cl)c1ccco1 ZINC001349794418 1066883657 /nfs/dbraw/zinc/88/36/57/1066883657.db2.gz ONLWCKURVKRPCV-ZDUSSCGKSA-N 1 1 453.107 4.224 20 0 JIADMO COc1ccc(C(=O)N2c3ccccc3CC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1-c1ccccc1 ZINC001318083516 1066891625 /nfs/dbraw/zinc/89/16/25/1066891625.db2.gz YYOZZDJXOFMQOA-SANMLTNESA-N 1 1 469.585 4.098 20 0 JIADMO CC[NH+](CC)CCOc1cc(NC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)ccc1OC ZINC001318091689 1066895127 /nfs/dbraw/zinc/89/51/27/1066895127.db2.gz FVACJWMSDLENBD-UHFFFAOYSA-N 1 1 468.642 4.464 20 0 JIADMO CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C ZINC001349922070 1066896911 /nfs/dbraw/zinc/89/69/11/1066896911.db2.gz UKKPNJKAONARIX-UHFFFAOYSA-N 1 1 457.500 4.245 20 0 JIADMO O=C(c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001318103209 1066900936 /nfs/dbraw/zinc/90/09/36/1066900936.db2.gz VRLOBZXHUHCJPO-QGZVFWFLSA-N 1 1 461.513 4.325 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCCC(C)(C)C2)c1 ZINC001492547751 1066935445 /nfs/dbraw/zinc/93/54/45/1066935445.db2.gz IMFVZSCPBDKTLN-HXUWFJFHSA-N 1 1 481.563 4.055 20 0 JIADMO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)c2ccc(Br)s2)CC1 ZINC001350369478 1066949266 /nfs/dbraw/zinc/94/92/66/1066949266.db2.gz MYLZAZGXQOMEPK-UHFFFAOYSA-N 1 1 456.793 4.127 20 0 JIADMO CC[C@@H](CNC(=O)NCc1ccc(-n2cnc3ccccc32)nc1)[N@H+]1CCc2ccccc2C1 ZINC001318192317 1066950181 /nfs/dbraw/zinc/95/01/81/1066950181.db2.gz HWLWWPXSAHLKOX-QHCPKHFHSA-N 1 1 454.578 4.057 20 0 JIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)C1 ZINC001318198311 1066953745 /nfs/dbraw/zinc/95/37/45/1066953745.db2.gz CHXLUXNPCCCSLU-WMZHIEFXSA-N 1 1 452.599 4.346 20 0 JIADMO O=C(CCCOc1ccc2c(c1)CCC(=O)N2)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318210831 1066960768 /nfs/dbraw/zinc/96/07/68/1066960768.db2.gz VEWFHCIOYORYSR-UHFFFAOYSA-N 1 1 461.566 4.231 20 0 JIADMO CS(=O)(=O)c1ccc(OCCCCC(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)cc1 ZINC001318213352 1066962368 /nfs/dbraw/zinc/96/23/68/1066962368.db2.gz ASDYHSJMELRAPQ-UHFFFAOYSA-N 1 1 484.622 4.140 20 0 JIADMO COCCN(C(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001318226306 1066971106 /nfs/dbraw/zinc/97/11/06/1066971106.db2.gz NQCZRFVBUKLHOD-HXUWFJFHSA-N 1 1 492.586 4.372 20 0 JIADMO CCCN(CCC)C(=O)c1ccc(NC(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001318234389 1066975465 /nfs/dbraw/zinc/97/54/65/1066975465.db2.gz JBHKBHSJCBCIMB-UHFFFAOYSA-N 1 1 465.642 4.018 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001318238102 1066978220 /nfs/dbraw/zinc/97/82/20/1066978220.db2.gz PHBKCMWIUXASNE-UHFFFAOYSA-N 1 1 495.649 4.366 20 0 JIADMO CCOc1ccccc1[C@H](CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)NC(C)=O ZINC001318244034 1066980832 /nfs/dbraw/zinc/98/08/32/1066980832.db2.gz AZJRORTYMYQGQS-QFIPXVFZSA-N 1 1 463.582 4.154 20 0 JIADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC(Nc4ccccc4Cl)CC3)c2)CCO1 ZINC001318308721 1067011050 /nfs/dbraw/zinc/01/10/50/1067011050.db2.gz MCTDUJDXIZORHF-LJQANCHMSA-N 1 1 457.018 4.347 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC(Nc4ccccc4Cl)CC3)c2)CCO1 ZINC001318308721 1067011060 /nfs/dbraw/zinc/01/10/60/1067011060.db2.gz MCTDUJDXIZORHF-LJQANCHMSA-N 1 1 457.018 4.347 20 0 JIADMO COc1ccccc1SCc1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@](C)(O)CCC(C)C ZINC001300683809 1067021949 /nfs/dbraw/zinc/02/19/49/1067021949.db2.gz NFIVBLTVZPTBSS-RLWLMLJZSA-N 1 1 487.714 4.441 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3cc(C)nc4c3cnn4Cc3ccc(C)cc3)C2)ccn1 ZINC001351117860 1067047930 /nfs/dbraw/zinc/04/79/30/1067047930.db2.gz QPUGVCGYITZZLK-RUZDIDTESA-N 1 1 498.631 4.237 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C ZINC001354732209 1067067320 /nfs/dbraw/zinc/06/73/20/1067067320.db2.gz UYRVGCCIUOHQPW-AAIMPIBUSA-N 1 1 453.583 4.141 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)cc1F ZINC001351329611 1067078269 /nfs/dbraw/zinc/07/82/69/1067078269.db2.gz VDNZPKCKDRJOCZ-QHCPKHFHSA-N 1 1 450.514 4.127 20 0 JIADMO COC1CCC(CCn2c(-c3ccc(C)o3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC001300714508 1067090246 /nfs/dbraw/zinc/09/02/46/1067090246.db2.gz UPOXSJGHDRFKCP-UHFFFAOYSA-N 1 1 473.662 4.236 20 0 JIADMO CCn1c(SCC(=O)NC[C@@H]2CCC[N@@H+](CC)C2)nnc1-c1ccc(Cl)cc1Cl ZINC001320749232 1067092466 /nfs/dbraw/zinc/09/24/66/1067092466.db2.gz LXVHJYYXONTTQJ-AWEZNQCLSA-N 1 1 456.443 4.212 20 0 JIADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1ccc(OC)c(-c2ccccc2)c1 ZINC001320843054 1067094448 /nfs/dbraw/zinc/09/44/48/1067094448.db2.gz MYFLQHCXDPYFTN-UHFFFAOYSA-N 1 1 459.546 4.011 20 0 JIADMO CC(C)N1C(=O)C[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001351475322 1067100934 /nfs/dbraw/zinc/10/09/34/1067100934.db2.gz KBFZVQAQCXSZNB-GBXCKJPGSA-N 1 1 457.977 4.122 20 0 JIADMO Cc1cccc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001492549434 1067219711 /nfs/dbraw/zinc/21/97/11/1067219711.db2.gz ANHYRECIRNGUFK-VSKRKVRLSA-N 1 1 455.647 4.290 20 0 JIADMO O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001351973603 1067259310 /nfs/dbraw/zinc/25/93/10/1067259310.db2.gz WYQJGAJFGCOXSY-PSVMIJIFSA-N 1 1 451.998 4.079 20 0 JIADMO CO[C@@H]1CCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001300752971 1067276943 /nfs/dbraw/zinc/27/69/43/1067276943.db2.gz VLXPQUAAGZOUEZ-FYYLOGMGSA-N 1 1 490.092 4.132 20 0 JIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC001322349037 1067280189 /nfs/dbraw/zinc/28/01/89/1067280189.db2.gz GSYCJIRHWWMIGU-QHCPKHFHSA-N 1 1 450.608 4.215 20 0 JIADMO C[C@H](CNC(=O)c1c(Br)cccc1Br)[N@H+]1CCc2ccccc2C1 ZINC001352080745 1067282601 /nfs/dbraw/zinc/28/26/01/1067282601.db2.gz MNVBPXQKFMHYFP-CYBMUJFWSA-N 1 1 452.190 4.388 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)N(CCc3ccccc3F)C3CCCC3)c2)CC1 ZINC001322425748 1067291101 /nfs/dbraw/zinc/29/11/01/1067291101.db2.gz PFSSQPFKRVZJCZ-UHFFFAOYSA-N 1 1 452.618 4.270 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001492552623 1067318510 /nfs/dbraw/zinc/31/85/10/1067318510.db2.gz BSKYOHWTGKXVNE-VYKTZEHYSA-N 1 1 499.700 4.181 20 0 JIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccccc2N2CCCC2=O)c1 ZINC001355000946 1067330435 /nfs/dbraw/zinc/33/04/35/1067330435.db2.gz MXZVMHCROACASM-QGZVFWFLSA-N 1 1 452.530 4.018 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccccc2N2CCCC2=O)c1 ZINC001355000946 1067330450 /nfs/dbraw/zinc/33/04/50/1067330450.db2.gz MXZVMHCROACASM-QGZVFWFLSA-N 1 1 452.530 4.018 20 0 JIADMO COC(=O)c1ccc2c(c1)nc(SC[C@@H]1CCC[N@H+]1C)n(Cc1ccccc1Cl)c2=O ZINC001472918193 1067335420 /nfs/dbraw/zinc/33/54/20/1067335420.db2.gz GDCKYCHEKDLQBP-KRWDZBQOSA-N 1 1 457.983 4.071 20 0 JIADMO Cc1ccccc1[C@@H](C)N(C)c1nnc(CC(C)C)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001492553490 1067347652 /nfs/dbraw/zinc/34/76/52/1067347652.db2.gz KUFHUIRJRJSHLN-BWKNWUBXSA-N 1 1 457.688 4.190 20 0 JIADMO COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CCN(C(=S)Nc1ccccc1Cl)CC2 ZINC001200855639 1067363886 /nfs/dbraw/zinc/36/38/86/1067363886.db2.gz NITNGRBSJBPFAP-INIZCTEOSA-N 1 1 451.061 4.496 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CCN(C(=S)Nc1ccccc1Cl)CC2 ZINC001200855639 1067363900 /nfs/dbraw/zinc/36/39/00/1067363900.db2.gz NITNGRBSJBPFAP-INIZCTEOSA-N 1 1 451.061 4.496 20 0 JIADMO COc1ccc(-c2nnc(N(C)CCC(C)C)n2CC(C)(C)[NH+]2CCOCC2)cc1Br ZINC001300011861 1067365217 /nfs/dbraw/zinc/36/52/17/1067365217.db2.gz MIGNDKDYRUPPIP-UHFFFAOYSA-N 1 1 494.478 4.309 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)c2nc(C)cs2)cc1 ZINC001300013292 1067368717 /nfs/dbraw/zinc/36/87/17/1067368717.db2.gz NIODGYAMGIYHJX-RLLQIKCJSA-N 1 1 484.670 4.068 20 0 JIADMO COc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](C)c2nc(C)cs2)cc1 ZINC001300013292 1067368730 /nfs/dbraw/zinc/36/87/30/1067368730.db2.gz NIODGYAMGIYHJX-RLLQIKCJSA-N 1 1 484.670 4.068 20 0 JIADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H](Oc3ccc(Cl)cc3)C(C)C)cc2)CC1 ZINC001355085671 1067371774 /nfs/dbraw/zinc/37/17/74/1067371774.db2.gz VUIVCGCKUPRWGH-XMMPIXPASA-N 1 1 458.002 4.089 20 0 JIADMO COc1ccc(-c2nnc(N3CC(C)(C)OC(C)(C)C3)n2CC[N@H+]2CCCC(C)(C)C2)cc1OC ZINC001300018301 1067381605 /nfs/dbraw/zinc/38/16/05/1067381605.db2.gz GEWDDHBYSRPWCH-UHFFFAOYSA-N 1 1 485.673 4.478 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300022962 1067391035 /nfs/dbraw/zinc/39/10/35/1067391035.db2.gz AGXJEHZNZJJIIW-HYBUGGRVSA-N 1 1 485.673 4.336 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC001300023552 1067392029 /nfs/dbraw/zinc/39/20/29/1067392029.db2.gz HLQBIFQQZWFOCR-HSALFYBXSA-N 1 1 473.687 4.413 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC001300023553 1067392207 /nfs/dbraw/zinc/39/22/07/1067392207.db2.gz HLQBIFQQZWFOCR-SLFFLAALSA-N 1 1 473.687 4.413 20 0 JIADMO CNC(=O)Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC001355229909 1067392567 /nfs/dbraw/zinc/39/25/67/1067392567.db2.gz IUHKCLNSICJBEW-LOSJGSFVSA-N 1 1 461.993 4.483 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCCCCSC)c(OC)c1 ZINC001300027366 1067401806 /nfs/dbraw/zinc/40/18/06/1067401806.db2.gz MPNLIBBSRAXDCQ-OALUTQOASA-N 1 1 459.660 4.169 20 0 JIADMO COc1ccc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001300032481 1067427691 /nfs/dbraw/zinc/42/76/91/1067427691.db2.gz GKRUDGDUAHUKGE-IMSXRSKXSA-N 1 1 455.647 4.470 20 0 JIADMO COc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c(OC)c1 ZINC001300032958 1067429768 /nfs/dbraw/zinc/42/97/68/1067429768.db2.gz JTFAOLCINITDJL-UNMCSNQZSA-N 1 1 485.673 4.192 20 0 JIADMO COc1ccc(-c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001300034406 1067437320 /nfs/dbraw/zinc/43/73/20/1067437320.db2.gz YENRVMLJNVRKMD-NRFANRHFSA-N 1 1 468.690 4.100 20 0 JIADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC001355519166 1067497265 /nfs/dbraw/zinc/49/72/65/1067497265.db2.gz RQYCXYCBFFZRCF-ILBGXUMGSA-N 1 1 468.041 4.102 20 0 JIADMO CC[C@@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355544438 1067505492 /nfs/dbraw/zinc/50/54/92/1067505492.db2.gz HCUAAJVIWWUVIE-DNQXCXABSA-N 1 1 452.986 4.244 20 0 JIADMO CC[C@@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355544438 1067505511 /nfs/dbraw/zinc/50/55/11/1067505511.db2.gz HCUAAJVIWWUVIE-DNQXCXABSA-N 1 1 452.986 4.244 20 0 JIADMO CCOC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](CC)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001355544798 1067506843 /nfs/dbraw/zinc/50/68/43/1067506843.db2.gz JCNOVUFETRBTGI-FGZHOGPDSA-N 1 1 459.974 4.318 20 0 JIADMO CCOC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](CC)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001355544798 1067506857 /nfs/dbraw/zinc/50/68/57/1067506857.db2.gz JCNOVUFETRBTGI-FGZHOGPDSA-N 1 1 459.974 4.318 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001300051223 1067513574 /nfs/dbraw/zinc/51/35/74/1067513574.db2.gz DSSNTBZLMCUHEU-IBVKSMDESA-N 1 1 471.646 4.090 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2CCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC001300052117 1067521268 /nfs/dbraw/zinc/52/12/68/1067521268.db2.gz VNGWDTJENOQAFV-IBVKSMDESA-N 1 1 471.646 4.232 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300053886 1067529313 /nfs/dbraw/zinc/52/93/13/1067529313.db2.gz LYOPBBUGMHGMLL-VXKWHMMOSA-N 1 1 496.700 4.064 20 0 JIADMO COc1ccc(CCNC(=S)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc1OC ZINC001200077330 1067544026 /nfs/dbraw/zinc/54/40/26/1067544026.db2.gz PTMBCXBPLNGSKE-RUZDIDTESA-N 1 1 457.615 4.000 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001300057097 1067544112 /nfs/dbraw/zinc/54/41/12/1067544112.db2.gz SJTXVXIYODZZSY-QFIPXVFZSA-N 1 1 496.700 4.207 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2C[C@H](C)[NH+]2CCOCC2)cc1Br ZINC001300060196 1067557219 /nfs/dbraw/zinc/55/72/19/1067557219.db2.gz NBJZCFVJLHYURS-FXAWDEMLSA-N 1 1 492.462 4.062 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H]3C(C)C)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300060256 1067557962 /nfs/dbraw/zinc/55/79/62/1067557962.db2.gz NLBGXELUDCJYCK-ZRCGQRJVSA-N 1 1 455.647 4.466 20 0 JIADMO CC[C@@H](Cc1ccccc1Br)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC001355714363 1067559808 /nfs/dbraw/zinc/55/98/08/1067559808.db2.gz GYXKNCIARNEIKR-UWJYYQICSA-N 1 1 458.400 4.106 20 0 JIADMO CC[C@@H](Cc1ccccc1Br)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC001355714363 1067559819 /nfs/dbraw/zinc/55/98/19/1067559819.db2.gz GYXKNCIARNEIKR-UWJYYQICSA-N 1 1 458.400 4.106 20 0 JIADMO COc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC001300068462 1067586570 /nfs/dbraw/zinc/58/65/70/1067586570.db2.gz NHRLJMGSAJNIAR-VXKWHMMOSA-N 1 1 498.716 4.249 20 0 JIADMO COc1ccc(-c2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CCCCOC(C)C)cc1 ZINC001300070917 1067591800 /nfs/dbraw/zinc/59/18/00/1067591800.db2.gz NVQSCJYJEUMQJD-NRFANRHFSA-N 1 1 455.647 4.470 20 0 JIADMO CCNC(=O)COc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c1 ZINC001356001868 1067628551 /nfs/dbraw/zinc/62/85/51/1067628551.db2.gz ODALWHIRXWIYBK-GGXMVOPNSA-N 1 1 471.601 4.230 20 0 JIADMO COc1ccc(-c2nnc(N3CCSC[C@H]3C)n2CC[N@H+]2CCCC(C)(C)C2)c(OC)c1 ZINC001300087217 1067632187 /nfs/dbraw/zinc/63/21/87/1067632187.db2.gz GTHWOCCWZNFUQC-GOSISDBHSA-N 1 1 459.660 4.026 20 0 JIADMO COC(=O)c1ccc(Cl)c(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001352719835 1067651399 /nfs/dbraw/zinc/65/13/99/1067651399.db2.gz NNOKWGXTBGOBQR-UHFFFAOYSA-N 1 1 454.876 4.494 20 0 JIADMO COC(=O)c1ccc(Cl)c(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001352719835 1067651410 /nfs/dbraw/zinc/65/14/10/1067651410.db2.gz NNOKWGXTBGOBQR-UHFFFAOYSA-N 1 1 454.876 4.494 20 0 JIADMO CC(C)(C)OC(=O)CCCCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001356090066 1067655949 /nfs/dbraw/zinc/65/59/49/1067655949.db2.gz CASYFXYCIILOOA-UHFFFAOYSA-N 1 1 453.421 4.432 20 0 JIADMO Cn1ccnc1[C@@](O)(C[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1)C(F)(F)F ZINC001200114048 1067658256 /nfs/dbraw/zinc/65/82/56/1067658256.db2.gz FQMXJLDPPSAITF-INIZCTEOSA-N 1 1 451.301 4.390 20 0 JIADMO 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C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCC3(c4ccccc4Cl)CCOCC3)cc2)C[C@H](C)O1 ZINC001352754801 1067696958 /nfs/dbraw/zinc/69/69/58/1067696958.db2.gz GUYRRTVNUBRVPC-BGYRXZFFSA-N 1 1 457.014 4.427 20 0 JIADMO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nn1-c1nc(C)cc(C)n1 ZINC001352758063 1067706750 /nfs/dbraw/zinc/70/67/50/1067706750.db2.gz WSXYBQFMWMXGNC-NRFANRHFSA-N 1 1 452.990 4.025 20 0 JIADMO Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)nn1-c1nc(C)cc(C)n1 ZINC001352758063 1067706764 /nfs/dbraw/zinc/70/67/64/1067706764.db2.gz WSXYBQFMWMXGNC-NRFANRHFSA-N 1 1 452.990 4.025 20 0 JIADMO COc1ccc(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1 ZINC001300109158 1067707268 /nfs/dbraw/zinc/70/72/68/1067707268.db2.gz XYEPPXSMPQAWCL-JOCHJYFZSA-N 1 1 493.700 4.200 20 0 JIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc(I)c(F)cc2F)C1 ZINC001356327161 1067724791 /nfs/dbraw/zinc/72/47/91/1067724791.db2.gz DEXASMMRLXOYGX-TZMCWYRMSA-N 1 1 456.274 4.135 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001356354177 1067733534 /nfs/dbraw/zinc/73/35/34/1067733534.db2.gz FMTMLEFCSIZGOE-QZTJIDSGSA-N 1 1 453.384 4.370 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001356354177 1067733553 /nfs/dbraw/zinc/73/35/53/1067733553.db2.gz FMTMLEFCSIZGOE-QZTJIDSGSA-N 1 1 453.384 4.370 20 0 JIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C2(c3ccc(N(C)C)cc3)CC2)c1 ZINC001356379107 1067739997 /nfs/dbraw/zinc/73/99/97/1067739997.db2.gz RRKBWHQQZMKLMK-SFHVURJKSA-N 1 1 452.574 4.375 20 0 JIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C2(c3ccc(N(C)C)cc3)CC2)c1 ZINC001356379107 1067740009 /nfs/dbraw/zinc/74/00/09/1067740009.db2.gz RRKBWHQQZMKLMK-SFHVURJKSA-N 1 1 452.574 4.375 20 0 JIADMO COc1ccc(CCc2nnc(N3CCCO[C@H](C)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300126321 1067753337 /nfs/dbraw/zinc/75/33/37/1067753337.db2.gz LPVYVMQRDHDTFE-XPWALMASSA-N 1 1 483.701 4.444 20 0 JIADMO 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C[C@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357779641 1067898652 /nfs/dbraw/zinc/89/86/52/1067898652.db2.gz IBEQGPIOKYYTSA-OYDLWJJNSA-N 1 1 451.611 4.322 20 0 JIADMO CO[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)c1ccc(Br)s1 ZINC001357804111 1067903351 /nfs/dbraw/zinc/90/33/51/1067903351.db2.gz QWMDJQNMCMWCJJ-KRWDZBQOSA-N 1 1 458.809 4.242 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCCOC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001300237138 1067931848 /nfs/dbraw/zinc/93/18/48/1067931848.db2.gz GEMHHILHIQRMFE-RTBURBONSA-N 1 1 462.038 4.202 20 0 JIADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)c3cc(-c4ccc(F)cc4)on3)cc2)C[C@H]1C ZINC001357906666 1067937607 /nfs/dbraw/zinc/93/76/07/1067937607.db2.gz PYQRSPYEIGOJQH-KDURUIRLSA-N 1 1 451.542 4.420 20 0 JIADMO CCCN(C(=O)c1cnc(NC(=O)OC(C)(C)C)cn1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357959152 1067959720 /nfs/dbraw/zinc/95/97/20/1067959720.db2.gz GHJNJHUBADWBDA-HXUWFJFHSA-N 1 1 453.587 4.340 20 0 JIADMO 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Cc1ccccc1[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001492572825 1069046518 /nfs/dbraw/zinc/04/65/18/1069046518.db2.gz JAKZGFTUXNAMMV-VWNXMTODSA-N 1 1 480.701 4.112 20 0 JIADMO COc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)cc1 ZINC000849481032 1069049280 /nfs/dbraw/zinc/04/92/80/1069049280.db2.gz IZKNRYQKBNKDAJ-DQEYMECFSA-N 1 1 475.593 4.134 20 0 JIADMO COc1cc(CN(C)C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1OCc1ccccc1 ZINC000849486331 1069051755 /nfs/dbraw/zinc/05/17/55/1069051755.db2.gz KHLLNWDWPHBQCR-CLJLJLNGSA-N 1 1 490.648 4.480 20 0 JIADMO Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2)cs1 ZINC000849486020 1069052956 /nfs/dbraw/zinc/05/29/56/1069052956.db2.gz DODYKALAXFAKDJ-PKTZIBPZSA-N 1 1 451.640 4.025 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@@H]2CSC)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300566395 1069057161 /nfs/dbraw/zinc/05/71/61/1069057161.db2.gz ACECXGLNTDDKNF-RZUBCFFCSA-N 1 1 487.714 4.097 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@@H]2CSC)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001300566485 1069057843 /nfs/dbraw/zinc/05/78/43/1069057843.db2.gz BZVSGTDAZOVACN-RBBKRZOGSA-N 1 1 457.688 4.330 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849491777 1069060351 /nfs/dbraw/zinc/06/03/51/1069060351.db2.gz ANLXVGRRTCMDNJ-RTWAWAEBSA-N 1 1 459.566 4.198 20 0 JIADMO COc1ccccc1C(=O)Nc1ccc(OC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849492725 1069062623 /nfs/dbraw/zinc/06/26/23/1069062623.db2.gz XTQNHAUWFRWGHN-LADGPHEKSA-N 1 1 476.577 4.101 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCCO[C@H](C)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300568207 1069065833 /nfs/dbraw/zinc/06/58/33/1069065833.db2.gz QKYLZJCCVNGCLQ-NHCUHLMSSA-N 1 1 455.647 4.003 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@](C)(O)c1ccsc1 ZINC001300568321 1069066690 /nfs/dbraw/zinc/06/66/90/1069066690.db2.gz RWODKTWALNLOGL-AREMUKBSSA-N 1 1 483.682 4.157 20 0 JIADMO 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Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849498576 1069070516 /nfs/dbraw/zinc/07/05/16/1069070516.db2.gz SDPLWJSSJGCWSE-ISKFKSNPSA-N 1 1 459.594 4.433 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849499014 1069070541 /nfs/dbraw/zinc/07/05/41/1069070541.db2.gz CIIKLEMLFOKOCT-BFLUCZKCSA-N 1 1 488.611 4.281 20 0 JIADMO COc1cccc(Cc2nnc(NC(=O)N3CC[N@H+](Cc4ccccc4)C(C)(C)C3)s2)c1 ZINC000504150094 1069073332 /nfs/dbraw/zinc/07/33/32/1069073332.db2.gz APCBFOOSSRSZBO-UHFFFAOYSA-N 1 1 451.596 4.266 20 0 JIADMO COc1cccc(Cc2nnc(NC(=O)N3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)s2)c1 ZINC000504150094 1069073336 /nfs/dbraw/zinc/07/33/36/1069073336.db2.gz APCBFOOSSRSZBO-UHFFFAOYSA-N 1 1 451.596 4.266 20 0 JIADMO Cc1nc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)sc1Cc1cccc(F)c1 ZINC000849503155 1069076727 /nfs/dbraw/zinc/07/67/27/1069076727.db2.gz GYPQZFVSEAJYPU-LEWJYISDSA-N 1 1 455.603 4.368 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849503408 1069077793 /nfs/dbraw/zinc/07/77/93/1069077793.db2.gz ITJLXENIUJMIOF-GOTSBHOMSA-N 1 1 477.584 4.193 20 0 JIADMO COc1cc([C@H](C)NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1OCc1ccncc1 ZINC000849504356 1069080459 /nfs/dbraw/zinc/08/04/59/1069080459.db2.gz OQWMOJKRPBEGAB-BUUDZMLXSA-N 1 1 491.636 4.094 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849504260 1069081280 /nfs/dbraw/zinc/08/12/80/1069081280.db2.gz BSWZGHKSIGMCES-PKTZIBPZSA-N 1 1 457.018 4.009 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849503932 1069082356 /nfs/dbraw/zinc/08/23/56/1069082356.db2.gz AEGMYJQWATVHAO-RPBOFIJWSA-N 1 1 465.642 4.277 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849503863 1069082371 /nfs/dbraw/zinc/08/23/71/1069082371.db2.gz LZZARQFVIFHTJF-CLJLJLNGSA-N 1 1 473.621 4.078 20 0 JIADMO Cc1ccccc1[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)CCO1 ZINC001492574757 1069084619 /nfs/dbraw/zinc/08/46/19/1069084619.db2.gz ZGLPADFFIZQENZ-VWNXMTODSA-N 1 1 469.674 4.254 20 0 JIADMO CN(C(=O)c1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cc1Cl)C1CCCCC1 ZINC000849506160 1069085347 /nfs/dbraw/zinc/08/53/47/1069085347.db2.gz VBMGPLRPSHJXQR-IRLDBZIGSA-N 1 1 472.033 4.152 20 0 JIADMO COc1ccc(CN(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849506275 1069085410 /nfs/dbraw/zinc/08/54/10/1069085410.db2.gz MDCHPSQAHXLNRK-SXOMAYOGSA-N 1 1 460.622 4.472 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849505312 1069085467 /nfs/dbraw/zinc/08/54/67/1069085467.db2.gz HCPBZELIPIFNCZ-RBUKOAKNSA-N 1 1 484.442 4.063 20 0 JIADMO 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 1069086212 /nfs/dbraw/zinc/08/62/12/1069086212.db2.gz LBBSNSGKUIKPEG-YADHBBJMSA-N 1 1 480.575 4.451 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300573638 1069090368 /nfs/dbraw/zinc/09/03/68/1069090368.db2.gz JOUPYTAZBKIBCK-SIKLNZKXSA-N 1 1 495.590 4.013 20 0 JIADMO Cc1cccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C(=O)NCCc1ccccc1 ZINC000849510080 1069091761 /nfs/dbraw/zinc/09/17/61/1069091761.db2.gz GUVTXQLGTHESCL-DQEYMECFSA-N 1 1 487.648 4.154 20 0 JIADMO 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 1069091816 /nfs/dbraw/zinc/09/18/16/1069091816.db2.gz HZSYTQBKUSDMPS-WUMKDDEVSA-N 1 1 465.642 4.053 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849511332 1069093795 /nfs/dbraw/zinc/09/37/95/1069093795.db2.gz PHRHJGPZEXKKDH-VXKWHMMOSA-N 1 1 469.630 4.240 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849511330 1069093854 /nfs/dbraw/zinc/09/38/54/1069093854.db2.gz PHRHJGPZEXKKDH-FCHUYYIVSA-N 1 1 469.630 4.240 20 0 JIADMO COc1ccc(C2(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)CCCCC2)cc1 ZINC000849511028 1069094385 /nfs/dbraw/zinc/09/43/85/1069094385.db2.gz WRZLRSOEPDUMEG-RPBOFIJWSA-N 1 1 452.643 4.261 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)[C@H](c2cnn(C)c2)C1 ZINC000849513857 1069097936 /nfs/dbraw/zinc/09/79/36/1069097936.db2.gz FGSZVNDOWJKEDO-ZEQRLZLVSA-N 1 1 467.589 4.119 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC(C)(C)c2cccc(Br)c2)[C@H](c2cnn(C)c2)C1 ZINC000849514898 1069099725 /nfs/dbraw/zinc/09/97/25/1069099725.db2.gz JPFFKGMSTGSDLK-SFTDATJTSA-N 1 1 461.448 4.091 20 0 JIADMO 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 1069099785 /nfs/dbraw/zinc/09/97/85/1069099785.db2.gz DWJZAPMFYFQYMT-JQVVWYNYSA-N 1 1 465.425 4.141 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(S(C)(=O)=O)cc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849514917 1069100035 /nfs/dbraw/zinc/10/00/35/1069100035.db2.gz JRVQJOTZBMOKQU-RPBOFIJWSA-N 1 1 496.633 4.069 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849516676 1069104235 /nfs/dbraw/zinc/10/42/35/1069104235.db2.gz LURGGZKJGWYBKW-XZOQPEGZSA-N 1 1 456.594 4.426 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(CN3CCc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849516635 1069104412 /nfs/dbraw/zinc/10/44/12/1069104412.db2.gz LDYQWBLUMMTAQC-IZZNHLLZSA-N 1 1 457.622 4.435 20 0 JIADMO 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 1069104518 /nfs/dbraw/zinc/10/45/18/1069104518.db2.gz ANUOAMVCCFIXME-PMACEKPBSA-N 1 1 493.574 4.129 20 0 JIADMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000849519348 1069108728 /nfs/dbraw/zinc/10/87/28/1069108728.db2.gz JBDOMEOIFJALLY-RIEVBORMSA-N 1 1 450.558 4.051 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518621 1069110047 /nfs/dbraw/zinc/11/00/47/1069110047.db2.gz SBVGNCRSBXCBML-VMPREFPWSA-N 1 1 496.659 4.462 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849520425 1069111151 /nfs/dbraw/zinc/11/11/51/1069111151.db2.gz ZHDXHNBWLUSHDD-DHIUTWEWSA-N 1 1 458.566 4.318 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)cn1 ZINC000849520094 1069111979 /nfs/dbraw/zinc/11/19/79/1069111979.db2.gz XRWZTLPVBKJHAA-UXHICEINSA-N 1 1 455.006 4.231 20 0 JIADMO COc1cccc(Cc2nnc(NC(=O)NCc3ccccc3C[NH+]3C[C@H](C)O[C@@H](C)C3)s2)c1 ZINC000504190096 1069112507 /nfs/dbraw/zinc/11/25/07/1069112507.db2.gz LXVIUOGWZVGINF-ROUUACIJSA-N 1 1 481.622 4.068 20 0 JIADMO Cc1ccc(-c2cc(NC(=O)[C@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)n(-c3ccccc3)n2)cc1 ZINC000849519552 1069112834 /nfs/dbraw/zinc/11/28/34/1069112834.db2.gz VGDPXMKRYKTXOB-ZEQRLZLVSA-N 1 1 454.578 4.255 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849520578 1069113159 /nfs/dbraw/zinc/11/31/59/1069113159.db2.gz ODZTWYNGGDXNQP-GOTSBHOMSA-N 1 1 456.594 4.094 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849520681 1069113237 /nfs/dbraw/zinc/11/32/37/1069113237.db2.gz YMDDKTAHGBRYMF-ZEQRLZLVSA-N 1 1 466.630 4.281 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2nc3ccccc3n2CCCc2ccccc2)cn1 ZINC000849522329 1069114209 /nfs/dbraw/zinc/11/42/09/1069114209.db2.gz YDMZXWPKMKILTI-XZOQPEGZSA-N 1 1 456.594 4.077 20 0 JIADMO COc1cccc(Cc2nnc(NC(=O)NCC(C)(C)[N@H+]3CCc4ccccc4C3)s2)c1 ZINC000504191282 1069114304 /nfs/dbraw/zinc/11/43/04/1069114304.db2.gz UXORUNRMEHFUJA-UHFFFAOYSA-N 1 1 451.596 4.096 20 0 JIADMO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849522897 1069115906 /nfs/dbraw/zinc/11/59/06/1069115906.db2.gz PWEAMIHLXRHJBS-VHKYSDTDSA-N 1 1 458.031 4.418 20 0 JIADMO CC[C@@H](c1nnc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)s1)c1ccccc1 ZINC000849521524 1069115928 /nfs/dbraw/zinc/11/59/28/1069115928.db2.gz FERBWRMNWBYQKZ-NJYVYQBISA-N 1 1 452.628 4.266 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849524754 1069118952 /nfs/dbraw/zinc/11/89/52/1069118952.db2.gz KFGHQJIPGOJYIM-CCDWMCETSA-N 1 1 472.077 4.058 20 0 JIADMO COc1ccc(Br)cc1-c1ncc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)s1 ZINC001354338253 1069121958 /nfs/dbraw/zinc/12/19/58/1069121958.db2.gz DRBPQEOBDULRMY-AWEZNQCLSA-N 1 1 450.358 4.207 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849525938 1069123210 /nfs/dbraw/zinc/12/32/10/1069123210.db2.gz PRDIUZXAXRTXKC-RPWUZVMVSA-N 1 1 466.626 4.324 20 0 JIADMO 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 1069123458 /nfs/dbraw/zinc/12/34/58/1069123458.db2.gz PVMDIEKPEPKSNG-WOJBJXKFSA-N 1 1 460.022 4.007 20 0 JIADMO COc1ccccc1CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001300582748 1069123909 /nfs/dbraw/zinc/12/39/09/1069123909.db2.gz MPOWIYGKSICPIJ-MRXNPFEDSA-N 1 1 487.446 4.206 20 0 JIADMO COc1ccccc1CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001300582746 1069124113 /nfs/dbraw/zinc/12/41/13/1069124113.db2.gz MPOWIYGKSICPIJ-INIZCTEOSA-N 1 1 487.446 4.206 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(-c3cccc(Br)c3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849529317 1069130307 /nfs/dbraw/zinc/13/03/07/1069130307.db2.gz ZEPGLURGCJXDRM-QZTJIDSGSA-N 1 1 489.443 4.154 20 0 JIADMO COc1cccc(Br)c1[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=S)NC1CC1 ZINC001200640095 1069140238 /nfs/dbraw/zinc/14/02/38/1069140238.db2.gz CDDUPCOTJCZDMH-HKUYNNGSSA-N 1 1 460.441 4.052 20 0 JIADMO C[N@@H+](CCOc1cccc(CNC(=O)Nc2nnc(Cc3cccc(F)c3)s2)c1)C1CCOCC1 ZINC000504228698 1069148258 /nfs/dbraw/zinc/14/82/58/1069148258.db2.gz SRSGEMCBRVWBIG-UHFFFAOYSA-N 1 1 499.612 4.079 20 0 JIADMO COc1ccccc1CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001300591247 1069155102 /nfs/dbraw/zinc/15/51/02/1069155102.db2.gz JZLDETDHUHPPLR-INIZCTEOSA-N 1 1 487.446 4.174 20 0 JIADMO COc1ccccc1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001300591854 1069157708 /nfs/dbraw/zinc/15/77/08/1069157708.db2.gz MXZFWYSYUDVPNF-FQEVSTJZSA-N 1 1 491.640 4.081 20 0 JIADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000849539350 1069162597 /nfs/dbraw/zinc/16/25/97/1069162597.db2.gz SOVGUGJBHYNMQR-AKFKNWHVSA-N 1 1 452.002 4.142 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)c3ccc4[nH]c5c(c4c3)C[N@H+](C)CC5)CC23CCOCC3)cn1 ZINC000849545958 1069181770 /nfs/dbraw/zinc/18/17/70/1069181770.db2.gz ZCYAJMUOUUQDPT-VWLOTQADSA-N 1 1 461.610 4.002 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)c3ccc4[nH]c5c(c4c3)C[N@@H+](C)CC5)CC23CCOCC3)cn1 ZINC000849545958 1069181783 /nfs/dbraw/zinc/18/17/83/1069181783.db2.gz ZCYAJMUOUUQDPT-VWLOTQADSA-N 1 1 461.610 4.002 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Oc3cccc(S(C)(=O)=O)c3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849548816 1069188436 /nfs/dbraw/zinc/18/84/36/1069188436.db2.gz OPXZXNMGGLVKCO-LOSJGSFVSA-N 1 1 496.633 4.069 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849549696 1069191092 /nfs/dbraw/zinc/19/10/92/1069191092.db2.gz VTIZEDFLHWRBLU-IRXDYDNUSA-N 1 1 458.912 4.467 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NC2(c3cccc(Br)c3)CCCCC2)cn1 ZINC000849552156 1069193660 /nfs/dbraw/zinc/19/36/60/1069193660.db2.gz HFEXGUSVKNYOKE-RTWAWAEBSA-N 1 1 459.432 4.194 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c2ccccc2Cl)c(OC)c1 ZINC000849553131 1069196301 /nfs/dbraw/zinc/19/63/01/1069196301.db2.gz LXHQEBXLTQYAGU-OPJGWUQDSA-N 1 1 483.012 4.032 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849553046 1069196368 /nfs/dbraw/zinc/19/63/68/1069196368.db2.gz PXKSBMUYXXJWGV-VXKWHMMOSA-N 1 1 481.641 4.412 20 0 JIADMO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849555290 1069199706 /nfs/dbraw/zinc/19/97/06/1069199706.db2.gz YJHCDVAQQYOWSQ-BWAGFHJFSA-N 1 1 451.640 4.415 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849557176 1069203559 /nfs/dbraw/zinc/20/35/59/1069203559.db2.gz GBHGIIFWKDPFKR-DLBZAZTESA-N 1 1 473.832 4.389 20 0 JIADMO COc1cccc(C(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2cccc(OC)c2)c1 ZINC000849557833 1069204361 /nfs/dbraw/zinc/20/43/61/1069204361.db2.gz KAZOHRCKWMRVJY-FTJBHMTQSA-N 1 1 476.621 4.157 20 0 JIADMO Cc1ccc(NC(=O)C2(CNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)CCCC2)cc1C ZINC000849557735 1069205490 /nfs/dbraw/zinc/20/54/90/1069205490.db2.gz ITFVXJZEFGEYNT-JWQCQUIFSA-N 1 1 479.669 4.166 20 0 JIADMO 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 1069207857 /nfs/dbraw/zinc/20/78/57/1069207857.db2.gz YBEAEJQUNTXLDF-HJNYFJLDSA-N 1 1 466.548 4.227 20 0 JIADMO COc1ccc(F)cc1-c1csc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)n1 ZINC000849562178 1069209842 /nfs/dbraw/zinc/20/98/42/1069209842.db2.gz JTJSRUDDOJDYNS-HKUYNNGSSA-N 1 1 457.575 4.144 20 0 JIADMO 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 1069211147 /nfs/dbraw/zinc/21/11/47/1069211147.db2.gz PPMBMACMYIVNMG-SMIHKQSGSA-N 1 1 454.659 4.461 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849563247 1069211612 /nfs/dbraw/zinc/21/16/12/1069211612.db2.gz JHSLMYJFOOLCNZ-NHCUHLMSSA-N 1 1 460.504 4.077 20 0 JIADMO Fc1cc(F)cc(NC(=S)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2ccccn2)c1 ZINC001200663292 1069212584 /nfs/dbraw/zinc/21/25/84/1069212584.db2.gz AHKBYNZLFVOXJP-KBMIEXCESA-N 1 1 472.605 4.307 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(I)ccc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849563693 1069213560 /nfs/dbraw/zinc/21/35/60/1069213560.db2.gz RUJMQEWGXRGUJV-JKSUJKDBSA-N 1 1 486.785 4.131 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2sc(C)nc2C)CC1 ZINC001300610271 1069213865 /nfs/dbraw/zinc/21/38/65/1069213865.db2.gz MDOSMFNJAHUGTF-UHFFFAOYSA-N 1 1 454.644 4.028 20 0 JIADMO CCC1(CC)CN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c2ccc(Br)cc21 ZINC000849565125 1069214108 /nfs/dbraw/zinc/21/41/08/1069214108.db2.gz TZZNBZHIIWVFOR-RTBURBONSA-N 1 1 459.432 4.323 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)cn1 ZINC000849564625 1069215510 /nfs/dbraw/zinc/21/55/10/1069215510.db2.gz VUZYQWAIBYCOGS-VABKMULXSA-N 1 1 485.401 4.263 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849568486 1069219458 /nfs/dbraw/zinc/21/94/58/1069219458.db2.gz NQELCJVGDSRKAG-NHCUHLMSSA-N 1 1 490.530 4.016 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cn1 ZINC000849569633 1069221107 /nfs/dbraw/zinc/22/11/07/1069221107.db2.gz VDOGHCUPGCTJCI-KGLIPLIRSA-N 1 1 465.303 4.342 20 0 JIADMO 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 1069222014 /nfs/dbraw/zinc/22/20/14/1069222014.db2.gz IKTXUVLVPUHLDS-QKLQHJQFSA-N 1 1 454.924 4.395 20 0 JIADMO CCCc1c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1cccc(F)c1 ZINC000849570721 1069222868 /nfs/dbraw/zinc/22/28/68/1069222868.db2.gz ASTWBFHCHBUKMR-YADHBBJMSA-N 1 1 452.578 4.150 20 0 JIADMO CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849573351 1069224603 /nfs/dbraw/zinc/22/46/03/1069224603.db2.gz SBUSSNLODZURBP-FPOVZHCZSA-N 1 1 485.032 4.375 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCCCc3cc(Br)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849574285 1069225075 /nfs/dbraw/zinc/22/50/75/1069225075.db2.gz XGNLITXCBOALIU-LEWJYISDSA-N 1 1 459.432 4.366 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)[C@@H](c2cnn(C)c2)C1 ZINC000849574471 1069225199 /nfs/dbraw/zinc/22/51/99/1069225199.db2.gz WQOVOISBCRNTLA-WOJBJXKFSA-N 1 1 460.504 4.077 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCCCc3c(Br)cccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849573706 1069225865 /nfs/dbraw/zinc/22/58/65/1069225865.db2.gz RVWWGAHLYOEWIG-AZUAARDMSA-N 1 1 459.432 4.366 20 0 JIADMO 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 1069226473 /nfs/dbraw/zinc/22/64/73/1069226473.db2.gz JVWGCOASWIYCEX-TZRRMPRUSA-N 1 1 486.538 4.389 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2c2ccc(Br)s2)[C@H](c2cnn(C)c2)C1 ZINC000849574938 1069227761 /nfs/dbraw/zinc/22/77/61/1069227761.db2.gz YLULSZGIJSOPAE-BZSNNMDCSA-N 1 1 465.461 4.422 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001300615380 1069228646 /nfs/dbraw/zinc/22/86/46/1069228646.db2.gz SVFDDLFQHYIVIN-MHZLTWQESA-N 1 1 469.674 4.139 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)[C@H](c2cnn(C)c2)C1 ZINC000849576120 1069228905 /nfs/dbraw/zinc/22/89/05/1069228905.db2.gz GVBOFPMNEKKXFY-CABCVRRESA-N 1 1 462.982 4.184 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCCc2cccc(C)n2)CC1 ZINC001300615504 1069229317 /nfs/dbraw/zinc/22/93/17/1069229317.db2.gz UDTSOLZEFYHNIZ-UHFFFAOYSA-N 1 1 462.642 4.144 20 0 JIADMO 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 1069230687 /nfs/dbraw/zinc/23/06/87/1069230687.db2.gz XNFZGRRLILUWTF-KVSKMBFKSA-N 1 1 474.474 4.255 20 0 JIADMO Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849579301 1069231090 /nfs/dbraw/zinc/23/10/90/1069231090.db2.gz OUYSIINTPGANFQ-YADHBBJMSA-N 1 1 465.985 4.308 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(C)Cc2cc(Br)ccc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849581146 1069231725 /nfs/dbraw/zinc/23/17/25/1069231725.db2.gz FIFAUDYTYYQNAC-RBUKOAKNSA-N 1 1 467.839 4.309 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(C)Cc2ccc(Br)cc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849583344 1069233831 /nfs/dbraw/zinc/23/38/31/1069233831.db2.gz SUSIWWWZBZKNCB-RBUKOAKNSA-N 1 1 467.839 4.309 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)[C@H](c2cnn(C)c2)C1 ZINC000849583084 1069234032 /nfs/dbraw/zinc/23/40/32/1069234032.db2.gz RKFKMVATNWZABY-ACRUOGEOSA-N 1 1 478.468 4.326 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CC3(CCC3)c3cc(Br)ccc32)[C@H](c2cnn(C)c2)C1 ZINC000849583929 1069234789 /nfs/dbraw/zinc/23/47/89/1069234789.db2.gz VJECJCQSHJJOGN-UXHICEINSA-N 1 1 471.443 4.465 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1C[C@@H]1CCCSC1 ZINC001492576072 1069238213 /nfs/dbraw/zinc/23/82/13/1069238213.db2.gz HSJHYXZZKKMARG-QFIPXVFZSA-N 1 1 471.715 4.115 20 0 JIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001354466360 1069241140 /nfs/dbraw/zinc/24/11/40/1069241140.db2.gz QWXSZKQJIKLAJR-RPWUZVMVSA-N 1 1 451.611 4.103 20 0 JIADMO COCCC[C@H](CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000849591423 1069242020 /nfs/dbraw/zinc/24/20/20/1069242020.db2.gz IRBIPMMZIIHQGW-AGILITTLSA-N 1 1 461.050 4.214 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(Nc3cccc(Br)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849590249 1069242042 /nfs/dbraw/zinc/24/20/42/1069242042.db2.gz XYGDPHJDFDPCSC-PKTZIBPZSA-N 1 1 488.474 4.100 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849594361 1069246096 /nfs/dbraw/zinc/24/60/96/1069246096.db2.gz XARMQVXUCDBPIJ-VQTJNVASSA-N 1 1 497.993 4.255 20 0 JIADMO Cc1cc(C(C)(C)NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)ccc1Br ZINC000849595106 1069247257 /nfs/dbraw/zinc/24/72/57/1069247257.db2.gz IOBPDBVGLJYKHL-WOJBJXKFSA-N 1 1 461.448 4.356 20 0 JIADMO Cc1sc(C2(NC(=O)[C@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)CCC2)nc1-c1ccccc1F ZINC000849596357 1069248647 /nfs/dbraw/zinc/24/86/47/1069248647.db2.gz MTZQFDBTXLUHKL-AZUAARDMSA-N 1 1 467.614 4.222 20 0 JIADMO 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 1069250389 /nfs/dbraw/zinc/25/03/89/1069250389.db2.gz KWQSIBKHGPDFIL-QKNQBKEWSA-N 1 1 450.549 4.248 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc3ccc(Cl)cc3n2Cc2ccccc2)cn1 ZINC000849595839 1069250720 /nfs/dbraw/zinc/25/07/20/1069250720.db2.gz JICKYDOYZBOWFW-RTWAWAEBSA-N 1 1 462.985 4.146 20 0 JIADMO COc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001300623336 1069251403 /nfs/dbraw/zinc/25/14/03/1069251403.db2.gz XSJLNDQZKIMAJB-RTWAWAEBSA-N 1 1 485.673 4.032 20 0 JIADMO 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 1069251589 /nfs/dbraw/zinc/25/15/89/1069251589.db2.gz SSOIGLKCBXFSTL-ILWGZMRPSA-N 1 1 497.640 4.221 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849596870 1069252860 /nfs/dbraw/zinc/25/28/60/1069252860.db2.gz PWRYIKWBJPCAFB-VCOUNFBDSA-N 1 1 473.459 4.436 20 0 JIADMO COc1ccccc1OCc1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001300624748 1069255015 /nfs/dbraw/zinc/25/50/15/1069255015.db2.gz BBRFGGQNTGSMJD-MYDTUXCISA-N 1 1 485.673 4.380 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NC2(c3ccccc3Br)CCCCC2)cn1 ZINC000849598971 1069255934 /nfs/dbraw/zinc/25/59/34/1069255934.db2.gz JHKXTUGVUHIHAQ-RTBURBONSA-N 1 1 459.432 4.194 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC2(c3ccccc3Br)CCCCC2)cn1 ZINC000849598969 1069256229 /nfs/dbraw/zinc/25/62/29/1069256229.db2.gz JHKXTUGVUHIHAQ-OALUTQOASA-N 1 1 459.432 4.194 20 0 JIADMO 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 1069257680 /nfs/dbraw/zinc/25/76/80/1069257680.db2.gz UKRXSHXEYXBTEN-FSSWDIPSSA-N 1 1 466.548 4.147 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849604592 1069261731 /nfs/dbraw/zinc/26/17/31/1069261731.db2.gz DHSAHHZBMOVFMJ-YADHBBJMSA-N 1 1 478.559 4.371 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849607422 1069263475 /nfs/dbraw/zinc/26/34/75/1069263475.db2.gz VOOQZSSUBQASOV-CNNODRBYSA-N 1 1 454.018 4.042 20 0 JIADMO COc1ccccc1OCc1nnc(N(C)CC(F)(F)F)n1CCC[N@H+]1CCCC[C@H]1C ZINC001300627601 1069264592 /nfs/dbraw/zinc/26/45/92/1069264592.db2.gz KZFFDQIYTQGSQS-QGZVFWFLSA-N 1 1 455.525 4.129 20 0 JIADMO 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 1069266558 /nfs/dbraw/zinc/26/65/58/1069266558.db2.gz JINGMFCSHNQDPM-RBZQAINGSA-N 1 1 481.641 4.385 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(Nc3cccc(OC(F)(F)F)c3)cn2)cn1 ZINC000849609805 1069267879 /nfs/dbraw/zinc/26/78/79/1069267879.db2.gz ZDKMHOAGDGCNLV-VQTJNVASSA-N 1 1 474.487 4.131 20 0 JIADMO 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 1069267971 /nfs/dbraw/zinc/26/79/71/1069267971.db2.gz FVGAKMSOSVKBJT-MSNJVRRCSA-N 1 1 489.705 4.166 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC2(Cc3ccc(Br)cc3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849611335 1069269751 /nfs/dbraw/zinc/26/97/51/1069269751.db2.gz WOSWVCDAHNLVPX-VXKWHMMOSA-N 1 1 473.459 4.136 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H]2CSCc3ccc(Br)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849611089 1069269906 /nfs/dbraw/zinc/26/99/06/1069269906.db2.gz SYIJIVNYPDAUGF-TYPHKJRUSA-N 1 1 477.472 4.101 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)[C@H](c2cnn(C)c2)C1 ZINC000849610758 1069271580 /nfs/dbraw/zinc/27/15/80/1069271580.db2.gz OACJSXUBKQXXSF-HKUYNNGSSA-N 1 1 459.566 4.198 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC(C)(C)c3ccc(Br)cc32)[C@H](c2cnn(C)c2)C1 ZINC000849610725 1069271672 /nfs/dbraw/zinc/27/16/72/1069271672.db2.gz NHUDQGJDEGZPHE-OALUTQOASA-N 1 1 459.432 4.321 20 0 JIADMO CCc1cc(Br)cc2sc(NC(=O)[C@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)nc21 ZINC000849611964 1069273681 /nfs/dbraw/zinc/27/36/81/1069273681.db2.gz CTKAVQFJBVFKHX-JKSUJKDBSA-N 1 1 462.417 4.029 20 0 JIADMO CSc1ccc(-c2nsc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)cc1 ZINC000849613264 1069273912 /nfs/dbraw/zinc/27/39/12/1069273912.db2.gz QTQFLPBNJGEELO-RTBURBONSA-N 1 1 456.641 4.113 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)[C@H](c2cnn(C)c2)C1 ZINC000849613141 1069274090 /nfs/dbraw/zinc/27/40/90/1069274090.db2.gz PFJFBRYHANAZGJ-IRXDYDNUSA-N 1 1 489.443 4.154 20 0 JIADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccc(Cl)cc1)C2 ZINC001164441464 718990314 /nfs/dbraw/zinc/99/03/14/718990314.db2.gz ZRJCPLDVFOGHGH-UHFFFAOYSA-N 1 1 468.291 4.210 20 0 JIADMO c1ccc(C[N@H+]2C[C@H]3CCCN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)[C@H]3C2)cc1 ZINC001164627353 719084551 /nfs/dbraw/zinc/08/45/51/719084551.db2.gz QNZRJXDDABYCRJ-RDGATRHJSA-N 1 1 455.610 4.025 20 0 JIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164653603 719316642 /nfs/dbraw/zinc/31/66/42/719316642.db2.gz XOBNPLUDSVBUOT-HSZRJFAPSA-N 1 1 458.969 4.326 20 0 JIADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)n1 ZINC001164656313 719323420 /nfs/dbraw/zinc/32/34/20/719323420.db2.gz WKPVUXCCJSUENR-UHFFFAOYSA-N 1 1 479.028 4.474 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H](NC(=O)CC3CC3)[C@@H]3OCCC[C@H]3C2)n1 ZINC001164656533 719326129 /nfs/dbraw/zinc/32/61/29/719326129.db2.gz XSGHEJVAUUYUPT-DCLXLUIPSA-N 1 1 485.698 4.050 20 0 JIADMO C[N@H+]1CCO[C@H]2CN(c3nc(CSc4ccccc4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164669814 719438989 /nfs/dbraw/zinc/43/89/89/719438989.db2.gz MRZYDOOUGSWHRR-MOPGFXCFSA-N 1 1 452.649 4.382 20 0 JIADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4cc(C(=O)NCC(C)C)ccc42)CC3)cs1 ZINC001164694033 719812049 /nfs/dbraw/zinc/81/20/49/719812049.db2.gz ZWDLBWUCNSDTJT-UHFFFAOYSA-N 1 1 478.666 4.416 20 0 JIADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164692047 719813024 /nfs/dbraw/zinc/81/30/24/719813024.db2.gz KYSWDVZTMVFUSB-UHFFFAOYSA-N 1 1 470.973 4.466 20 0 JIADMO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164692047 719813027 /nfs/dbraw/zinc/81/30/27/719813027.db2.gz KYSWDVZTMVFUSB-UHFFFAOYSA-N 1 1 470.973 4.466 20 0 JIADMO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1C ZINC001164695718 719892000 /nfs/dbraw/zinc/89/20/00/719892000.db2.gz SJFIRTSEJODWEY-UHFFFAOYSA-N 1 1 450.004 4.153 20 0 JIADMO Fc1ccc(Oc2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)cc1 ZINC001164698293 719895214 /nfs/dbraw/zinc/89/52/14/719895214.db2.gz RANUEKOUHHAWJQ-UHFFFAOYSA-N 1 1 475.977 4.389 20 0 JIADMO Fc1ccc(Oc2nc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)cc1 ZINC001164698293 719895215 /nfs/dbraw/zinc/89/52/15/719895215.db2.gz RANUEKOUHHAWJQ-UHFFFAOYSA-N 1 1 475.977 4.389 20 0 JIADMO CCO[C@@H]1CN(c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)[C@@H]2CCCO[C@H]12 ZINC001164713620 720063503 /nfs/dbraw/zinc/06/35/03/720063503.db2.gz NWDWKNHKKAGGRM-PWHSHALESA-N 1 1 456.656 4.185 20 0 JIADMO CCO[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)[C@H]2CCCO[C@@H]12 ZINC001164713144 720063853 /nfs/dbraw/zinc/06/38/53/720063853.db2.gz MRXDNYKICVHBJR-YCRNBWNJSA-N 1 1 456.656 4.329 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)C2 ZINC001164814145 720089528 /nfs/dbraw/zinc/08/95/28/720089528.db2.gz VOXVZECXMDRLFQ-QVKFZJNVSA-N 1 1 454.924 4.152 20 0 JIADMO CCOC(=O)c1sc2ncnc(N3CCC4(C[C@@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)c2c1C ZINC001164711480 720094707 /nfs/dbraw/zinc/09/47/07/720094707.db2.gz PUCTZDQXNUREMB-FQEVSTJZSA-N 1 1 495.649 4.079 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(SC)nc3sccc31)CC2 ZINC001164711082 720099355 /nfs/dbraw/zinc/09/93/55/720099355.db2.gz NWUXNESAMWBTLQ-SFHVURJKSA-N 1 1 455.653 4.316 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164710717 720105963 /nfs/dbraw/zinc/10/59/63/720105963.db2.gz LJKHKGHNSUBFHQ-INIZCTEOSA-N 1 1 472.367 4.231 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)c1Cl ZINC001164714917 720106541 /nfs/dbraw/zinc/10/65/41/720106541.db2.gz FFOXJKCQVAREIA-GOSISDBHSA-N 1 1 493.435 4.468 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164716939 720123405 /nfs/dbraw/zinc/12/34/05/720123405.db2.gz LTTKLKQOJHQZFG-HXUWFJFHSA-N 1 1 473.017 4.123 20 0 JIADMO CCOC(=O)c1cc2ccccc2nc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164710407 720128677 /nfs/dbraw/zinc/12/86/77/720128677.db2.gz AXTOXCSZWCGFMC-QHCPKHFHSA-N 1 1 474.605 4.314 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164817788 720169065 /nfs/dbraw/zinc/16/90/65/720169065.db2.gz QFWUGDDCAYONRY-KMRXNPHXSA-N 1 1 495.737 4.351 20 0 JIADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164814512 720228586 /nfs/dbraw/zinc/22/85/86/720228586.db2.gz WLZBGPUYADACDG-UHFFFAOYSA-N 1 1 476.408 4.357 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)CCC2 ZINC001164813388 720229464 /nfs/dbraw/zinc/22/94/64/720229464.db2.gz NSVHQJLCYMDFAJ-UHFFFAOYSA-N 1 1 488.970 4.149 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nnc(-c3ccc(F)cc3)c3ccccc31)CCC2 ZINC001164812064 720235992 /nfs/dbraw/zinc/23/59/92/720235992.db2.gz AWUQBHXBPCZQPB-UHFFFAOYSA-N 1 1 472.568 4.243 20 0 JIADMO Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)O2)n1 ZINC001164829137 720408993 /nfs/dbraw/zinc/40/89/93/720408993.db2.gz LSIINKMGZSNTMP-QYZOEREBSA-N 1 1 480.638 4.356 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@@H]3C2)n1 ZINC001164834900 720502236 /nfs/dbraw/zinc/50/22/36/720502236.db2.gz HYLHRLBBZUVPPR-BHDDXSALSA-N 1 1 499.725 4.394 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@@H](CC(=O)N5CCCCC5)OC[C@@H]4C3)c2c1C ZINC001164832984 720502419 /nfs/dbraw/zinc/50/24/19/720502419.db2.gz CFNMIPXSHIVYLG-BHDDXSALSA-N 1 1 497.709 4.148 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(Cl)c4ccccc4n3)CC[C@@H]21 ZINC001164833674 720513476 /nfs/dbraw/zinc/51/34/76/720513476.db2.gz DMAIRODKZPGGGR-ZWOKBUDYSA-N 1 1 460.960 4.402 20 0 JIADMO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)CC[C@@H]21 ZINC001164835777 720525889 /nfs/dbraw/zinc/52/58/89/720525889.db2.gz LGZUMXHOTGQIIO-PBWSGDRGSA-N 1 1 470.665 4.214 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)CC[C@@H]21 ZINC001164835777 720525894 /nfs/dbraw/zinc/52/58/94/720525894.db2.gz LGZUMXHOTGQIIO-PBWSGDRGSA-N 1 1 470.665 4.214 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834659 720536221 /nfs/dbraw/zinc/53/62/21/720536221.db2.gz FOICHAZWSFZKBO-PLMTUMEDSA-N 1 1 460.960 4.402 20 0 JIADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164839004 720537841 /nfs/dbraw/zinc/53/78/41/720537841.db2.gz PMAHWZFSGUYHDV-WAOWUJCRSA-N 1 1 483.016 4.034 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc4ccccc4nc3Cl)CC[C@@H]21 ZINC001164833554 720566633 /nfs/dbraw/zinc/56/66/33/720566633.db2.gz AAIBZZJPGQZRDX-ZWOKBUDYSA-N 1 1 460.960 4.402 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4ccccc4nc3N3CCCCC3)CC[C@@H]21 ZINC001164840119 720596645 /nfs/dbraw/zinc/59/66/45/720596645.db2.gz PBWFKMBENJKDTD-HWBMXIPRSA-N 1 1 459.642 4.194 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)CC[C@@H]21 ZINC001164838721 720609355 /nfs/dbraw/zinc/60/93/55/720609355.db2.gz KZXHXFRLAOJNNE-UWVAXJGDSA-N 1 1 450.965 4.127 20 0 JIADMO COc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)nc(Cl)c2c1 ZINC001164838740 720616537 /nfs/dbraw/zinc/61/65/37/720616537.db2.gz LKKLTSTWSKOCRN-CSODHUTKSA-N 1 1 490.986 4.411 20 0 JIADMO 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 720622511 /nfs/dbraw/zinc/62/25/11/720622511.db2.gz CHAPKMDFJQDWPV-YGDRIEADSA-N 1 1 485.007 4.499 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(-c4ccncc4)nc4sccc43)CC[C@@H]21 ZINC001164838310 720632257 /nfs/dbraw/zinc/63/22/57/720632257.db2.gz 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1 455.606 4.287 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(-c3cccnc3)nc3c1CCC3)CC2 ZINC001164842877 720720795 /nfs/dbraw/zinc/72/07/95/720720795.db2.gz ZPLWPMPKSAXJBG-QHCPKHFHSA-N 1 1 455.606 4.287 20 0 JIADMO Clc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164745378 720758690 /nfs/dbraw/zinc/75/86/90/720758690.db2.gz VIJJCIARLVMBSO-ROUUACIJSA-N 1 1 464.982 4.144 20 0 JIADMO Cc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164745434 720790126 /nfs/dbraw/zinc/79/01/26/720790126.db2.gz KJNSLFBACIICJV-LOSJGSFVSA-N 1 1 464.573 4.251 20 0 JIADMO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739639 720820316 /nfs/dbraw/zinc/82/03/16/720820316.db2.gz HZGYVXMCSDCTSD-UNWVZKJWSA-N 1 1 499.997 4.313 20 0 JIADMO Clc1cc(OCc2ccccc2)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743563 720842396 /nfs/dbraw/zinc/84/23/96/720842396.db2.gz JEPXBKQQVMCLGG-SGIRGMQISA-N 1 1 479.028 4.285 20 0 JIADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739512 720850532 /nfs/dbraw/zinc/85/05/32/720850532.db2.gz ATZGSPJJWFZNTR-FDFHNCONSA-N 1 1 464.017 4.076 20 0 JIADMO Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164748894 720858266 /nfs/dbraw/zinc/85/82/66/720858266.db2.gz MUTRWNSUEHNYSQ-RZUBCFFCSA-N 1 1 480.016 4.202 20 0 JIADMO Fc1ccc(F)c2c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc(Cl)nc12 ZINC001164750392 720859706 /nfs/dbraw/zinc/85/97/06/720859706.db2.gz PQPATYOAYSITCE-GPMSIDNRSA-N 1 1 458.944 4.137 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4ccc(OC)cc4)nc4ccc(Cl)cc43)CC[C@H]2C1 ZINC001164859666 720861705 /nfs/dbraw/zinc/86/17/05/720861705.db2.gz VEJUOQMMNGOETL-CYFREDJKSA-N 1 1 483.012 4.132 20 0 JIADMO CSc1nc(Cl)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164748580 720870563 /nfs/dbraw/zinc/87/05/63/720870563.db2.gz FYPPRJKXDXYYMI-AUSIDOKSSA-N 1 1 460.047 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FC(F)(Oc1ccc(Cl)nc1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754853 720881388 /nfs/dbraw/zinc/88/13/88/720881388.db2.gz UAHOLBIKFWFWKV-NFBKMPQASA-N 1 1 478.971 4.310 20 0 JIADMO F[C@H](Oc1ccnc(Cl)c1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753818 720881491 /nfs/dbraw/zinc/88/14/91/720881491.db2.gz QBDZVVLJMUWEDD-NKKJXINNSA-N 1 1 460.981 4.013 20 0 JIADMO FC(F)(Oc1ccc(Cl)nc1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754855 720881646 /nfs/dbraw/zinc/88/16/46/720881646.db2.gz UAHOLBIKFWFWKV-NZQKXSOJSA-N 1 1 478.971 4.310 20 0 JIADMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)CC[C@H]2C1 ZINC001164859133 720882009 /nfs/dbraw/zinc/88/20/09/720882009.db2.gz LTEIVFSEQDEAHA-UGKGYDQZSA-N 1 1 481.971 4.032 20 0 JIADMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)CC[C@H]2C1 ZINC001164859130 720882188 /nfs/dbraw/zinc/88/21/88/720882188.db2.gz LTEIVFSEQDEAHA-SIKLNZKXSA-N 1 1 481.971 4.032 20 0 JIADMO Clc1ccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)cnc2c1 ZINC001164757493 720884388 /nfs/dbraw/zinc/88/43/88/720884388.db2.gz VETTWNJGPQRGLB-QFQXNSOFSA-N 1 1 464.013 4.433 20 0 JIADMO Clc1ccc2ncc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164758886 720886406 /nfs/dbraw/zinc/88/64/06/720886406.db2.gz ZZUQHWBVEGEDEX-LVXARBLLSA-N 1 1 464.013 4.433 20 0 JIADMO COc1ccc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)n1 ZINC001164754519 720888089 /nfs/dbraw/zinc/88/80/89/720888089.db2.gz JCRODQWUKPBBAR-YKSBVNFPSA-N 1 1 492.998 4.439 20 0 JIADMO F[C@H](Oc1ccc(Cl)nc1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755664 720889927 /nfs/dbraw/zinc/88/99/27/720889927.db2.gz MKRXWGDRDLYJOV-NKKJXINNSA-N 1 1 460.981 4.013 20 0 JIADMO Nc1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752606 720891974 /nfs/dbraw/zinc/89/19/74/720891974.db2.gz FLGMQBNAUGZTAE-AUSIDOKSSA-N 1 1 477.987 4.012 20 0 JIADMO 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CC(C)n1cnc2c1nc(Cl)nc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758138 720899289 /nfs/dbraw/zinc/89/92/89/720899289.db2.gz XCGYUJORMXZTCC-LVXARBLLSA-N 1 1 496.059 4.211 20 0 JIADMO COc1ccc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164750936 720900090 /nfs/dbraw/zinc/90/00/90/720900090.db2.gz CGTJOKQKGIKQOR-UFHPHHKVSA-N 1 1 458.606 4.394 20 0 JIADMO CCOC(=O)c1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1Cl ZINC001164755972 720902463 /nfs/dbraw/zinc/90/24/63/720902463.db2.gz NWIDSJVJBWOUBI-LVXARBLLSA-N 1 1 485.028 4.062 20 0 JIADMO CSc1ncc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749151 720906597 /nfs/dbraw/zinc/90/65/97/720906597.db2.gz HZWKHEGETWGZDH-AUSIDOKSSA-N 1 1 460.047 4.002 20 0 JIADMO c1ccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c(N3CCCC3)nc2c1 ZINC001164752788 720907367 /nfs/dbraw/zinc/90/73/67/720907367.db2.gz OTEZVECSZRBXOB-QCDSWUKFSA-N 1 1 498.675 4.380 20 0 JIADMO COc1cccc(-c2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nn2)c1 ZINC001164752940 720911839 /nfs/dbraw/zinc/91/18/39/720911839.db2.gz PNAFERYFUHFIBX-VAVYLYDRSA-N 1 1 485.632 4.302 20 0 JIADMO COc1ccccc1-c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164753141 720916813 /nfs/dbraw/zinc/91/68/13/720916813.db2.gz QJLXPHTWODAORC-OUTSHDOLSA-N 1 1 485.632 4.302 20 0 JIADMO c1ccc(Cc2nccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164754639 720920461 /nfs/dbraw/zinc/92/04/61/720920461.db2.gz WOJAYRHTYJBURN-UHSQPCAPSA-N 1 1 469.633 4.218 20 0 JIADMO Cc1csc2nc(C)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755173 720922566 /nfs/dbraw/zinc/92/25/66/720922566.db2.gz ZHQHDTSSTIKGCR-ATIYNZHBSA-N 1 1 463.651 4.458 20 0 JIADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cncc(N4CCCCCC4)n2)C3)c1 ZINC001164753791 720924934 /nfs/dbraw/zinc/92/49/34/720924934.db2.gz SUZFWAWTLSTXSA-NAKRPHOHSA-N 1 1 476.669 4.007 20 0 JIADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(COC4CCC4)cn2)C3)c1 ZINC001164752152 720928684 /nfs/dbraw/zinc/92/86/84/720928684.db2.gz NHEUPNGHRKMJEV-NAKRPHOHSA-N 1 1 462.638 4.301 20 0 JIADMO COc1cc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc2c(OC)c1 ZINC001164749990 720932228 /nfs/dbraw/zinc/93/22/28/720932228.db2.gz IRCXSRXRYGVUFT-IADCTJSHSA-N 1 1 488.632 4.402 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(C)C[C@@H](COCC4CC4)[C@@H]3CC2)nc1 ZINC001164859466 721030717 /nfs/dbraw/zinc/03/07/17/721030717.db2.gz IJFUOOUAVYYCBU-ASDGIDEWSA-N 1 1 468.686 4.366 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(-c5cc(Cl)ncn5)cc4)C[C@H]3C2)cn1 ZINC001164765775 721099994 /nfs/dbraw/zinc/09/99/94/721099994.db2.gz JTABGQARZCHHER-RTBURBONSA-N 1 1 458.944 4.034 20 0 JIADMO Fc1ccc(-c2nnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c3ccccc32)cc1F ZINC001164877586 721142187 /nfs/dbraw/zinc/14/21/87/721142187.db2.gz OUYRIUATHQMYCW-NHCUHLMSSA-N 1 1 473.527 4.450 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C[C@@H]3C2)cn1 ZINC001164761239 721190262 /nfs/dbraw/zinc/19/02/62/721190262.db2.gz AINKDCSJJFEGPN-OLZOCXBDSA-N 1 1 450.748 4.279 20 0 JIADMO CCN1C(C)=N[C@]2(CC[C@H]3CN(c4nc(C[NH+](CC)CC)nc5sc(C)c(C)c54)C[C@H]32)C1=O ZINC001164871793 721231928 /nfs/dbraw/zinc/23/19/28/721231928.db2.gz ICTQSTBTNDFNLI-CEYNDMKZSA-N 1 1 468.671 4.015 20 0 JIADMO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc(C)c(C)c54)C[C@H]32)C1=O ZINC001164872490 721232127 /nfs/dbraw/zinc/23/21/27/721232127.db2.gz LPGJYTWUGKMXQZ-XMERXJNXSA-N 1 1 480.682 4.160 20 0 JIADMO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]32)C1=O ZINC001164872612 721232378 /nfs/dbraw/zinc/23/23/78/721232378.db2.gz NEMACMKFISBBIY-VXNLTHLCSA-N 1 1 492.693 4.031 20 0 JIADMO CCN1C(C)=N[C@]2(CC[C@H]3CN(c4nc(C[NH+](CC)CC)nc5sc(C)c(C)c54)C[C@@H]32)C1=O ZINC001164871796 721232689 /nfs/dbraw/zinc/23/26/89/721232689.db2.gz ICTQSTBTNDFNLI-MHPIHPPYSA-N 1 1 468.671 4.015 20 0 JIADMO CCc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164761399 721239553 /nfs/dbraw/zinc/23/95/53/721239553.db2.gz IACKXLXXOUONTJ-PMACEKPBSA-N 1 1 452.990 4.177 20 0 JIADMO COc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(Cl)nn1 ZINC001164764878 721247738 /nfs/dbraw/zinc/24/77/38/721247738.db2.gz QIBMNSQARLCIGS-ZWKOTPCHSA-N 1 1 488.970 4.042 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)nc3Cl)C2)C1 ZINC001164777380 721334023 /nfs/dbraw/zinc/33/40/23/721334023.db2.gz MQXWRWQOFYYHHP-IBGZPJMESA-N 1 1 476.355 4.052 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)nc3Cl)C2)C1 ZINC001164777380 721334029 /nfs/dbraw/zinc/33/40/29/721334029.db2.gz MQXWRWQOFYYHHP-IBGZPJMESA-N 1 1 476.355 4.052 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)nc3Cl)C2)C1 ZINC001164777382 721334571 /nfs/dbraw/zinc/33/45/71/721334571.db2.gz MQXWRWQOFYYHHP-LJQANCHMSA-N 1 1 476.355 4.052 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)nc3Cl)C2)C1 ZINC001164777382 721334572 /nfs/dbraw/zinc/33/45/72/721334572.db2.gz MQXWRWQOFYYHHP-LJQANCHMSA-N 1 1 476.355 4.052 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)ncc3Cl)C2)C1 ZINC001164777866 721342014 /nfs/dbraw/zinc/34/20/14/721342014.db2.gz JTEDUOTUGHXDTL-IBGZPJMESA-N 1 1 476.355 4.052 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)ncc3Cl)C2)C1 ZINC001164777866 721342019 /nfs/dbraw/zinc/34/20/19/721342019.db2.gz JTEDUOTUGHXDTL-IBGZPJMESA-N 1 1 476.355 4.052 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(-c4c[nH]c5ccccc54)n3)C2)C1 ZINC001164779791 721348808 /nfs/dbraw/zinc/34/88/08/721348808.db2.gz WRHXSVOUPPMQFZ-HHHXNRCGSA-N 1 1 472.593 4.349 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc(-c4c[nH]c5ccccc54)n3)C2)C1 ZINC001164779791 721348812 /nfs/dbraw/zinc/34/88/12/721348812.db2.gz WRHXSVOUPPMQFZ-HHHXNRCGSA-N 1 1 472.593 4.349 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3OCc3ccccc3)C2)C1 ZINC001164776463 721352282 /nfs/dbraw/zinc/35/22/82/721352282.db2.gz BUUDWHVXOJJTIH-SANMLTNESA-N 1 1 498.027 4.433 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3OCc3ccccc3)C2)C1 ZINC001164776463 721352286 /nfs/dbraw/zinc/35/22/86/721352286.db2.gz BUUDWHVXOJJTIH-SANMLTNESA-N 1 1 498.027 4.433 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@]4(CCCCN4S(C)(=O)=O)C3)c2c1C ZINC001164892906 721376484 /nfs/dbraw/zinc/37/64/84/721376484.db2.gz UNNSBZHWECWRGG-DEOSSOPVSA-N 1 1 491.727 4.079 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccccc5F)nc5ccc(F)cc54)C3)O2)CC1 ZINC001164890479 721397494 /nfs/dbraw/zinc/39/74/94/721397494.db2.gz NMUFQBNXVOHOOC-RBTNQOKQSA-N 1 1 493.602 4.340 20 0 JIADMO Cc1ccc(-c2nc3ccccc3c(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)n2)cc1 ZINC001164892870 721421875 /nfs/dbraw/zinc/42/18/75/721421875.db2.gz YZEMMWCFVCHIFF-GIGWZHCTSA-N 1 1 471.649 4.371 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C3)O2)CC1 ZINC001164896055 721431697 /nfs/dbraw/zinc/43/16/97/721431697.db2.gz QJTCUCYYAHAEJI-IFXJQAMLSA-N 1 1 483.818 4.352 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(SCc5ccccc5)ccn4)C3)O2)CC1 ZINC001164895774 721439740 /nfs/dbraw/zinc/43/97/40/721439740.db2.gz PIQQMLVRNJDADE-OZXSUGGESA-N 1 1 452.668 4.139 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccc(Cl)s5)nc5c4CCC5)C3)O2)CC1 ZINC001164892257 721442744 /nfs/dbraw/zinc/44/27/44/721442744.db2.gz HUGFBWFDGKQFDF-BVZFJXPGSA-N 1 1 488.101 4.113 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccc(OC)cc3cc1C)CC2 ZINC001164790565 721450059 /nfs/dbraw/zinc/45/00/59/721450059.db2.gz ZITHUYXRKODBRA-QHCPKHFHSA-N 1 1 453.627 4.286 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C3)O2)CC1 ZINC001164892749 721453588 /nfs/dbraw/zinc/45/35/88/721453588.db2.gz XVVUMQNJWDOMSL-AUSIDOKSSA-N 1 1 480.987 4.305 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccc(C)cc3nc1Cl)CC2 ZINC001164786638 721458572 /nfs/dbraw/zinc/45/85/72/721458572.db2.gz OUKMPKIXURPGFX-FQEVSTJZSA-N 1 1 459.034 4.326 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(Oc3cccc(OC)c3)n1)CC2 ZINC001164784626 721463714 /nfs/dbraw/zinc/46/37/14/721463714.db2.gz ITLRJQAMIZOFOE-QFIPXVFZSA-N 1 1 482.625 4.011 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001164791781 721465206 /nfs/dbraw/zinc/46/52/06/721465206.db2.gz ZCLDUIPHCYAZRZ-QFIPXVFZSA-N 1 1 474.646 4.163 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164791800 721465230 /nfs/dbraw/zinc/46/52/30/721465230.db2.gz ZMKYBYJXFZPDSC-KRWDZBQOSA-N 1 1 480.440 4.066 20 0 JIADMO CC(C)C(=O)N1CC[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]21 ZINC001164895014 721465372 /nfs/dbraw/zinc/46/53/72/721465372.db2.gz YVSCSAOKJLKEDB-QUCCMNQESA-N 1 1 467.683 4.249 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C(C)(C)C)nc(Cl)c1C)CC2 ZINC001164788717 721467001 /nfs/dbraw/zinc/46/70/01/721467001.db2.gz JENKENJBTISGSK-FQEVSTJZSA-N 1 1 465.082 4.470 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c(-c4ccccc4)nsc31)CC2 ZINC001164786516 721467418 /nfs/dbraw/zinc/46/74/18/721467418.db2.gz BNZISHXRMMNJTG-JOCHJYFZSA-N 1 1 493.677 4.487 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)nc(-c3ccsc3)n1)CC2 ZINC001164790089 721468632 /nfs/dbraw/zinc/46/86/32/721468632.db2.gz QUOXFZUGIBDORV-JOCHJYFZSA-N 1 1 456.656 4.247 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Oc3ccc(OC)cc3)nc(C)n1)CC2 ZINC001164786279 721470616 /nfs/dbraw/zinc/47/06/16/721470616.db2.gz AKRUDVXVBQNOAP-HSZRJFAPSA-N 1 1 496.652 4.320 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164788704 721472536 /nfs/dbraw/zinc/47/25/36/721472536.db2.gz IZLDIBRUVQAOKL-SFHVURJKSA-N 1 1 469.457 4.395 20 0 JIADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164791662 721474189 /nfs/dbraw/zinc/47/41/89/721474189.db2.gz XIYLPMOVASPQDO-PZJWPPBQSA-N 1 1 455.647 4.205 20 0 JIADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792972 721495269 /nfs/dbraw/zinc/49/52/69/721495269.db2.gz WQSCMIXNVSPZER-UHFFFAOYSA-N 1 1 476.046 4.305 20 0 JIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)CC2 ZINC001164795084 721502503 /nfs/dbraw/zinc/50/25/03/721502503.db2.gz CUHPMPJWKUBTNR-UHFFFAOYSA-N 1 1 483.664 4.079 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)n1 ZINC001164896755 721504474 /nfs/dbraw/zinc/50/44/74/721504474.db2.gz JQNVHCMLRVKVTC-HXUWFJFHSA-N 1 1 478.666 4.188 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc3ccsc3c(Cl)n2)[C@@H]2CCCO[C@H]21 ZINC001164804516 721538984 /nfs/dbraw/zinc/53/89/84/721538984.db2.gz KCIIWGKIVYUMCE-BRWVUGGUSA-N 1 1 465.957 4.153 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc3ccsc3c(Cl)n2)[C@@H]2CCCO[C@H]21 ZINC001164804516 721538989 /nfs/dbraw/zinc/53/89/89/721538989.db2.gz KCIIWGKIVYUMCE-BRWVUGGUSA-N 1 1 465.957 4.153 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc3ccsc3c(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164804514 721539217 /nfs/dbraw/zinc/53/92/17/721539217.db2.gz KCIIWGKIVYUMCE-BBWFWOEESA-N 1 1 465.957 4.153 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc3ccsc3c(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164804514 721539220 /nfs/dbraw/zinc/53/92/20/721539220.db2.gz KCIIWGKIVYUMCE-BBWFWOEESA-N 1 1 465.957 4.153 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164801417 721550783 /nfs/dbraw/zinc/55/07/83/721550783.db2.gz FHFBMIKHFADICA-JIMJEQGWSA-N 1 1 478.600 4.469 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164801417 721550786 /nfs/dbraw/zinc/55/07/86/721550786.db2.gz FHFBMIKHFADICA-JIMJEQGWSA-N 1 1 478.600 4.469 20 0 JIADMO COC(=O)c1ccc(-c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2C)cc1 ZINC001164804022 721573633 /nfs/dbraw/zinc/57/36/33/721573633.db2.gz KSJJKSSTSVMYBN-OBDYRVMHSA-N 1 1 472.589 4.107 20 0 JIADMO CSc1cnc(Cl)c(C(F)(F)N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164806711 721573658 /nfs/dbraw/zinc/57/36/58/721573658.db2.gz REVNZIKXWJMEKF-FHWLQOOXSA-N 1 1 454.974 4.265 20 0 JIADMO CSc1cnc(Cl)c(C(F)(F)N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164806711 721573661 /nfs/dbraw/zinc/57/36/61/721573661.db2.gz REVNZIKXWJMEKF-FHWLQOOXSA-N 1 1 454.974 4.265 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164800948 721575243 /nfs/dbraw/zinc/57/52/43/721575243.db2.gz FXOWEIBMOOJTMY-WOIUINJBSA-N 1 1 486.954 4.000 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164800948 721575244 /nfs/dbraw/zinc/57/52/44/721575244.db2.gz FXOWEIBMOOJTMY-WOIUINJBSA-N 1 1 486.954 4.000 20 0 JIADMO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164802600 721589905 /nfs/dbraw/zinc/58/99/05/721589905.db2.gz GZTNTFRPSJDQAJ-RRPUWOKSSA-N 1 1 465.985 4.494 20 0 JIADMO Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164802600 721589906 /nfs/dbraw/zinc/58/99/06/721589906.db2.gz GZTNTFRPSJDQAJ-RRPUWOKSSA-N 1 1 465.985 4.494 20 0 JIADMO FC(F)(c1nc(Cl)ncc1Cl)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905660 721694655 /nfs/dbraw/zinc/69/46/55/721694655.db2.gz KJKPONPJTYUZPK-QGZVFWFLSA-N 1 1 464.294 4.461 20 0 JIADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906711 721697286 /nfs/dbraw/zinc/69/72/86/721697286.db2.gz PFHSIFQOHYBRDG-JOCHJYFZSA-N 1 1 464.944 4.353 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)n1 ZINC001164907847 721701690 /nfs/dbraw/zinc/70/16/90/721701690.db2.gz VDGGTARLDMJXES-HXUWFJFHSA-N 1 1 486.897 4.199 20 0 JIADMO COc1cc2nc(C)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2cc1OC ZINC001164906063 721705751 /nfs/dbraw/zinc/70/57/51/721705751.db2.gz JOUGEOYLASLSLB-XMMPIXPASA-N 1 1 469.536 4.088 20 0 JIADMO FC1(F)CCN(c2cc(OCc3ccccc3)cnn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906725 721710802 /nfs/dbraw/zinc/71/08/02/721710802.db2.gz NWIQLPGKGCCQOX-DEOSSOPVSA-N 1 1 451.521 4.188 20 0 JIADMO Cc1nc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(Cl)c1C ZINC001164908079 721712477 /nfs/dbraw/zinc/71/24/77/721712477.db2.gz VFXFBMVNZBBRJC-LJQANCHMSA-N 1 1 457.903 4.424 20 0 JIADMO CC1CCN(C(=O)c2cccnc2N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CC1 ZINC001164907058 721724678 /nfs/dbraw/zinc/72/46/78/721724678.db2.gz PXZXEIVUNYGRJK-VWLOTQADSA-N 1 1 469.580 4.086 20 0 JIADMO FC1(F)CCN(c2ccc(-c3ccc4c(c3)OCCCO4)nn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164909839 721728542 /nfs/dbraw/zinc/72/85/42/721728542.db2.gz DWLMJLGOJDWEQC-SANMLTNESA-N 1 1 493.558 4.438 20 0 JIADMO Cc1nc(-c2ccccn2)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1C ZINC001164913556 721729788 /nfs/dbraw/zinc/72/97/88/721729788.db2.gz WZGQFGHHSNGWHX-DEOSSOPVSA-N 1 1 450.537 4.288 20 0 JIADMO COc1ccc(CN(C)c2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)cc1 ZINC001164909143 721732805 /nfs/dbraw/zinc/73/28/05/721732805.db2.gz CKDUAUCDRLUIPU-AREMUKBSSA-N 1 1 494.590 4.254 20 0 JIADMO C[N@@H+](Cc1ccc(N2C[C@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)nc1)C1CC1 ZINC001164912118 721742331 /nfs/dbraw/zinc/74/23/31/721742331.db2.gz LUDRHGTTWNFEFE-NAKRPHOHSA-N 1 1 453.590 4.098 20 0 JIADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164908355 721745242 /nfs/dbraw/zinc/74/52/42/721745242.db2.gz GOSJBWDDTWYFMJ-UHFFFAOYSA-N 1 1 454.958 4.403 20 0 JIADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164908355 721745244 /nfs/dbraw/zinc/74/52/44/721745244.db2.gz GOSJBWDDTWYFMJ-UHFFFAOYSA-N 1 1 454.958 4.403 20 0 JIADMO CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164908909 721752732 /nfs/dbraw/zinc/75/27/32/721752732.db2.gz OEGUEBRMJBMMID-UHFFFAOYSA-N 1 1 480.616 4.218 20 0 JIADMO CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164908909 721752735 /nfs/dbraw/zinc/75/27/35/721752735.db2.gz OEGUEBRMJBMMID-UHFFFAOYSA-N 1 1 480.616 4.218 20 0 JIADMO COC(=O)C[C@@H](c1ccnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1)C1CC1 ZINC001164910751 721760297 /nfs/dbraw/zinc/76/02/97/721760297.db2.gz KTAHGSSANFRPML-RUZDIDTESA-N 1 1 460.578 4.321 20 0 JIADMO COC(=O)C[C@@H](c1ccnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1)C1CC1 ZINC001164910751 721760298 /nfs/dbraw/zinc/76/02/98/721760298.db2.gz KTAHGSSANFRPML-RUZDIDTESA-N 1 1 460.578 4.321 20 0 JIADMO O=C(c1ccco1)N1C[C@H]2CCCN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)[C@@H]2C1 ZINC001165015776 721771960 /nfs/dbraw/zinc/77/19/60/721771960.db2.gz MUHFVRBLHOKPKU-UYAOXDASSA-N 1 1 491.661 4.500 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@H]3[C@@H](OCCCn4cccn4)CC[C@@H]32)nc1 ZINC001165016899 721782624 /nfs/dbraw/zinc/78/26/24/721782624.db2.gz FLGLKTZYSRSELL-APFRJGHOSA-N 1 1 453.631 4.058 20 0 JIADMO Fc1ccc(-c2csc3ncnc(N4CCO[C@]5(C4)COCC[N@H+](Cc4cccnc4)C5)c23)cc1 ZINC001164913519 721793343 /nfs/dbraw/zinc/79/33/43/721793343.db2.gz FBKUGPNKTDFQIM-AREMUKBSSA-N 1 1 491.592 4.000 20 0 JIADMO Fc1ccc(-c2csc3ncnc(N4CCO[C@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)c23)cc1 ZINC001164913519 721793347 /nfs/dbraw/zinc/79/33/47/721793347.db2.gz FBKUGPNKTDFQIM-AREMUKBSSA-N 1 1 491.592 4.000 20 0 JIADMO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165027214 721799855 /nfs/dbraw/zinc/79/98/55/721799855.db2.gz UIHNRCUBNQOJSD-KSEOMHKRSA-N 1 1 484.604 4.191 20 0 JIADMO Clc1ccc2ccc(Cl)c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2n1 ZINC001164914734 721799934 /nfs/dbraw/zinc/79/99/34/721799934.db2.gz QZEJVUAHJGELJP-QHCPKHFHSA-N 1 1 459.377 4.044 20 0 JIADMO Clc1ccc2ccc(Cl)c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2n1 ZINC001164914734 721799937 /nfs/dbraw/zinc/79/99/37/721799937.db2.gz QZEJVUAHJGELJP-QHCPKHFHSA-N 1 1 459.377 4.044 20 0 JIADMO c1cncc(O[C@@H]2CO[C@@]3(CCN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C3)C2)c1 ZINC001164916093 721807034 /nfs/dbraw/zinc/80/70/34/721807034.db2.gz NFOAOPFYLMOJAX-DCFHFQCYSA-N 1 1 491.661 4.378 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(Cl)n1 ZINC001165027210 721810663 /nfs/dbraw/zinc/81/06/63/721810663.db2.gz TVLIGVAZRVTIDP-VPWXQRGCSA-N 1 1 464.944 4.198 20 0 JIADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020731 721810721 /nfs/dbraw/zinc/81/07/21/721810721.db2.gz CTJFCENGZLWNDT-WDYCEAGBSA-N 1 1 464.944 4.198 20 0 JIADMO CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027805 721815219 /nfs/dbraw/zinc/81/52/19/721815219.db2.gz VYBNQVFJEYQZKO-YUXAGFNASA-N 1 1 456.034 4.349 20 0 JIADMO 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 721819400 /nfs/dbraw/zinc/81/94/00/721819400.db2.gz CJDAMXOUYSGEPS-ZCVJKFOLSA-N 1 1 495.668 4.490 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncccc3C(=O)N3CCc4ccccc43)C[C@@H]21 ZINC001165026373 721823501 /nfs/dbraw/zinc/82/35/01/721823501.db2.gz PDPRCNUASNKXOE-BUALBWRZSA-N 1 1 467.617 4.416 20 0 JIADMO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)c(OC)c1 ZINC001165028966 721827186 /nfs/dbraw/zinc/82/71/86/721827186.db2.gz WAXQCBYBAUVJCV-CYSDGLOUSA-N 1 1 459.594 4.293 20 0 JIADMO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)c(OC)c1OC ZINC001165018864 721828611 /nfs/dbraw/zinc/82/86/11/721828611.db2.gz AMGPKPVPRLXHTL-NGYIFUPDSA-N 1 1 489.620 4.301 20 0 JIADMO c1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(c2nc(CN4CCCC4)nc4sc5c(c42)CCCC5)C3)co1 ZINC001164931252 721901277 /nfs/dbraw/zinc/90/12/77/721901277.db2.gz PGMHESPJEGZNKD-UXHICEINSA-N 1 1 463.651 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Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCO[C@@H]4[C@@H](Oc5ncccc5F)CC[C@@H]43)c2c1C ZINC001164956424 722029408 /nfs/dbraw/zinc/02/94/08/722029408.db2.gz GLHRXRFRXIZDND-IPJJNNNSSA-N 1 1 483.613 4.253 20 0 JIADMO O=C(c1ccco1)N1CC[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164956982 722048150 /nfs/dbraw/zinc/04/81/50/722048150.db2.gz GJNBSEHTCNTQQS-ICSRJNTNSA-N 1 1 491.661 4.500 20 0 JIADMO O=C(c1ccco1)N1CC[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164960806 722048223 /nfs/dbraw/zinc/04/82/23/722048223.db2.gz WYCKJSQNRMQVFN-IEBWSBKVSA-N 1 1 477.634 4.110 20 0 JIADMO c1cc2c(nc(-c3ccncc3)nc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)s1 ZINC001164962555 722061427 /nfs/dbraw/zinc/06/14/27/722061427.db2.gz UFFBYAJMQOKQIB-UHFFFAOYSA-N 1 1 472.618 4.267 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)n1 ZINC001164966870 722065642 /nfs/dbraw/zinc/06/56/42/722065642.db2.gz YBVIYQAMZBZYTA-UXHICEINSA-N 1 1 490.658 4.370 20 0 JIADMO O=C(NC1CCC1)C1C[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2C1 ZINC001164976705 722085608 /nfs/dbraw/zinc/08/56/08/722085608.db2.gz WFPZNYRBSDTWOM-OALUTQOASA-N 1 1 479.694 4.297 20 0 JIADMO c1sc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164983395 722107545 /nfs/dbraw/zinc/10/75/45/722107545.db2.gz PUKLUBOHVXUTFG-GGAORHGYSA-N 1 1 457.603 4.481 20 0 JIADMO CSc1ccc(Oc2cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164981764 722135037 /nfs/dbraw/zinc/13/50/37/722135037.db2.gz QKNAOCYVMZTWHK-NFBKMPQASA-N 1 1 463.607 4.113 20 0 JIADMO Cc1nc2sc3c(c2c(N2CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C2)n1)CCCCC3 ZINC001164982178 722142741 /nfs/dbraw/zinc/14/27/41/722142741.db2.gz RHGYWQRESKCATA-IRLDBZIGSA-N 1 1 463.651 4.391 20 0 JIADMO Clc1ncc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Oc2ccccc2)n1 ZINC001164972249 722154357 /nfs/dbraw/zinc/15/43/57/722154357.db2.gz HOSDHGIHLYVRCR-UGKGYDQZSA-N 1 1 451.958 4.045 20 0 JIADMO 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FC(F)(F)Oc1cc(Br)ccc1NC(=S)NCC[NH+]1CCC(F)(F)CC1 ZINC001200715622 1069372304 /nfs/dbraw/zinc/37/23/04/1069372304.db2.gz IQFKPZWFUOQKQH-UHFFFAOYSA-N 1 1 462.282 4.365 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCSC(C)(C)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300661395 1069372801 /nfs/dbraw/zinc/37/28/01/1069372801.db2.gz SSGMKBDKTYWQCZ-VQTJNVASSA-N 1 1 473.687 4.318 20 0 JIADMO COc1ccccc1SCc1nnc(N2C[C@H](C)CC[C@H]2C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001300668887 1069395775 /nfs/dbraw/zinc/39/57/75/1069395775.db2.gz HJVTWNBUULAXMS-NHCUHLMSSA-N 1 1 486.730 4.230 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC[C@H](C(C)C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001300674931 1069417033 /nfs/dbraw/zinc/41/70/33/1069417033.db2.gz BVIDOODDNUJYGH-YADHBBJMSA-N 1 1 487.714 4.420 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC=C(C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001300675292 1069418397 /nfs/dbraw/zinc/41/83/97/1069418397.db2.gz GLWYLXWKKZMZHD-OAQYLSRUSA-N 1 1 471.671 4.236 20 0 JIADMO 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486.730 4.214 20 0 JIADMO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001359438084 1069567191 /nfs/dbraw/zinc/56/71/91/1069567191.db2.gz SUBFQAJPJCQJEO-DHLKQENFSA-N 1 1 480.701 4.042 20 0 JIADMO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001359438177 1069567450 /nfs/dbraw/zinc/56/74/50/1069567450.db2.gz VOPYEZGDRIPMQH-ZJSXRUAMSA-N 1 1 480.701 4.040 20 0 JIADMO CC(=O)NCCCn1c(Cc2ccccc2C)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359460740 1069583802 /nfs/dbraw/zinc/58/38/02/1069583802.db2.gz YSGZFHFEDZSOKG-QHCPKHFHSA-N 1 1 480.701 4.184 20 0 JIADMO CC(=O)NCCCn1c(Cc2ccccc2C)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359460739 1069583847 /nfs/dbraw/zinc/58/38/47/1069583847.db2.gz YSGZFHFEDZSOKG-HSZRJFAPSA-N 1 1 480.701 4.184 20 0 JIADMO CC(C)(C)C1=CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001359499215 1069751978 /nfs/dbraw/zinc/75/19/78/1069751978.db2.gz CREHLDSPOCPAMB-UHFFFAOYSA-N 1 1 455.622 4.301 20 0 JIADMO 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CS[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001316380323 1066148752 /nfs/dbraw/zinc/14/87/52/1066148752.db2.gz YNDCUIXTOYJXTF-HXUWFJFHSA-N 1 1 450.656 4.440 20 0 JIADMO CS[C@H](Cn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1)C(C)(C)C ZINC001316391266 1066164624 /nfs/dbraw/zinc/16/46/24/1066164624.db2.gz IATHZBSXJMAZIQ-WTIAFYNJSA-N 1 1 490.762 4.092 20 0 JIADMO CS[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC001316393330 1066168747 /nfs/dbraw/zinc/16/87/47/1066168747.db2.gz IESMDKJKFGPHPJ-BHDDXSALSA-N 1 1 457.688 4.270 20 0 JIADMO CS[C@H](Cn1c(COc2cccc(C)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC001316401751 1066179855 /nfs/dbraw/zinc/17/98/55/1066179855.db2.gz UWWYVTQGXQNWMO-JOCHJYFZSA-N 1 1 489.730 4.490 20 0 JIADMO CS[C@H](Cn1c(COc2cccc(C)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC001316401751 1066179856 /nfs/dbraw/zinc/17/98/56/1066179856.db2.gz UWWYVTQGXQNWMO-JOCHJYFZSA-N 1 1 489.730 4.490 20 0 JIADMO CSC1(Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CCOCC1 ZINC001316403514 1066185025 /nfs/dbraw/zinc/18/50/25/1066185025.db2.gz ZOMDXIAFAUVQBQ-UHFFFAOYSA-N 1 1 494.105 4.058 20 0 JIADMO CSC1(Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CCOCC1 ZINC001316403514 1066185030 /nfs/dbraw/zinc/18/50/30/1066185030.db2.gz ZOMDXIAFAUVQBQ-UHFFFAOYSA-N 1 1 494.105 4.058 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2nn(-c3ccccc3F)cc2Br)cc1F ZINC001324683829 1066226488 /nfs/dbraw/zinc/22/64/88/1066226488.db2.gz HXJLHIZVQWUXIB-UHFFFAOYSA-N 1 1 472.293 4.337 20 0 JIADMO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)O[C@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c12 ZINC001325215428 1066239818 /nfs/dbraw/zinc/23/98/18/1066239818.db2.gz NONLPSUPELNTMJ-OFNKIYASSA-N 1 1 498.583 4.443 20 0 JIADMO Cc1cccc(-c2nnc(N(C)Cc3cccc(Cl)c3)n2CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001492499187 1066240456 /nfs/dbraw/zinc/24/04/56/1066240456.db2.gz HNHCOLXVFAFUES-UHFFFAOYSA-N 1 1 455.006 4.049 20 0 JIADMO Cc1cccc(-c2nnc(N(C)Cc3cccc(Cl)c3)n2CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001492499187 1066240460 /nfs/dbraw/zinc/24/04/60/1066240460.db2.gz HNHCOLXVFAFUES-UHFFFAOYSA-N 1 1 455.006 4.049 20 0 JIADMO Cc1cccc(-c2nnc(N(C)Cc3ccc(Cl)s3)n2CC2CCN(CC[NH+](C)C)CC2)n1 ZINC001492499304 1066245147 /nfs/dbraw/zinc/24/51/47/1066245147.db2.gz LPKYNKXZFMGPFR-UHFFFAOYSA-N 1 1 488.105 4.273 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001316428463 1066255426 /nfs/dbraw/zinc/25/54/26/1066255426.db2.gz PBXUUNFMRJACRD-JOCHJYFZSA-N 1 1 491.149 4.270 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001316428463 1066255445 /nfs/dbraw/zinc/25/54/45/1066255445.db2.gz PBXUUNFMRJACRD-JOCHJYFZSA-N 1 1 491.149 4.270 20 0 JIADMO CS[C@@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001316428463 1066255467 /nfs/dbraw/zinc/25/54/67/1066255467.db2.gz PBXUUNFMRJACRD-JOCHJYFZSA-N 1 1 491.149 4.270 20 0 JIADMO Cc1cccc(-c2nnc(N(C)Cc3ccc([S@](C)=O)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001492499699 1066259766 /nfs/dbraw/zinc/25/97/66/1066259766.db2.gz VAOBIVMZPPTWJJ-JXNPFXPLSA-N 1 1 480.682 4.143 20 0 JIADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)C[C@@H](C)O1 ZINC001325687282 1066264534 /nfs/dbraw/zinc/26/45/34/1066264534.db2.gz VYQIJOVFRXHBFN-QZTJIDSGSA-N 1 1 474.586 4.285 20 0 JIADMO Cc1cccc(-c2nnc(N(C)Cc3csc(Br)c3)n2CC[N@H+](C)C(C)C)n1 ZINC001492500461 1066285469 /nfs/dbraw/zinc/28/54/69/1066285469.db2.gz FWRDIJFZGSWGGE-UHFFFAOYSA-N 1 1 463.449 4.449 20 0 JIADMO CSC[C@H]1CCCN1c1nnc(-c2ccc(Br)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001316439243 1066294762 /nfs/dbraw/zinc/29/47/62/1066294762.db2.gz WSAJLEDSFRMCSB-LJQANCHMSA-N 1 1 494.503 4.150 20 0 JIADMO CSC[C@H]1CCCN1c1nnc(-c2ccc(Br)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001316439243 1066294772 /nfs/dbraw/zinc/29/47/72/1066294772.db2.gz WSAJLEDSFRMCSB-LJQANCHMSA-N 1 1 494.503 4.150 20 0 JIADMO CSC[C@@H]1CCCN1c1nnc(-c2ccc(Cl)cc2Cl)n1C[C@H](C)[NH+]1CCOCC1 ZINC001316439519 1066295433 /nfs/dbraw/zinc/29/54/33/1066295433.db2.gz XZOKELFRXCVVAN-RDJZCZTQSA-N 1 1 470.470 4.304 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001316442401 1066304610 /nfs/dbraw/zinc/30/46/10/1066304610.db2.gz LCQDFRGNSZYKJT-BJLQDIEVSA-N 1 1 478.732 4.139 20 0 JIADMO Cc1cccc(-c2nnc(N(CCCCO)C3CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001492504780 1066322359 /nfs/dbraw/zinc/32/23/59/1066322359.db2.gz IMZRJZIMPYSADH-BGYRXZFFSA-N 1 1 454.663 4.146 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001492508629 1066334325 /nfs/dbraw/zinc/33/43/25/1066334325.db2.gz WGDOBIDDQNRKBL-CYFREDJKSA-N 1 1 494.606 4.443 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(C(C)C)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001492508688 1066334646 /nfs/dbraw/zinc/33/46/46/1066334646.db2.gz XKUGAIJNGVQYTO-OYRHEFFESA-N 1 1 454.663 4.409 20 0 JIADMO Cc1c2c(cccc2F)sc1S(=O)(=O)N1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC001329441933 1066338609 /nfs/dbraw/zinc/33/86/09/1066338609.db2.gz LSWYLPVMNJRIFT-IBGZPJMESA-N 1 1 477.627 4.426 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)CSc3ccc(Br)cc3)C2)ccn1 ZINC001329441736 1066338691 /nfs/dbraw/zinc/33/86/91/1066338691.db2.gz KFYOVCHAUJJDIW-LJQANCHMSA-N 1 1 464.429 4.068 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CCOc2ncccc2Cl)n1 ZINC001492511529 1066345494 /nfs/dbraw/zinc/34/54/94/1066345494.db2.gz BBNJQYFPSXSELN-UHFFFAOYSA-N 1 1 484.048 4.333 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2CCC[N@H+](C)C(C)C)n1 ZINC001492514317 1066355131 /nfs/dbraw/zinc/35/51/31/1066355131.db2.gz QBUKNJWDGKEXRP-OAQYLSRUSA-N 1 1 485.677 4.120 20 0 JIADMO CSCCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001316463883 1066361990 /nfs/dbraw/zinc/36/19/90/1066361990.db2.gz XRVNYCRWARCSFJ-HSZRJFAPSA-N 1 1 498.741 4.129 20 0 JIADMO CSCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001316470700 1066376554 /nfs/dbraw/zinc/37/65/54/1066376554.db2.gz NJPWMZIIVFCXLK-DHIUTWEWSA-N 1 1 457.688 4.274 20 0 JIADMO CSCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001316475529 1066386266 /nfs/dbraw/zinc/38/62/66/1066386266.db2.gz QZZPOKACHONKBO-SFHVURJKSA-N 1 1 477.744 4.432 20 0 JIADMO CSCCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001316475529 1066386280 /nfs/dbraw/zinc/38/62/80/1066386280.db2.gz QZZPOKACHONKBO-SFHVURJKSA-N 1 1 477.744 4.432 20 0 JIADMO CSCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316475633 1066386342 /nfs/dbraw/zinc/38/63/42/1066386342.db2.gz ZRBPDVRRFPWWNL-IYBDPMFKSA-N 1 1 456.031 4.036 20 0 JIADMO CSCCCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316475633 1066386358 /nfs/dbraw/zinc/38/63/58/1066386358.db2.gz ZRBPDVRRFPWWNL-IYBDPMFKSA-N 1 1 456.031 4.036 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(Cc2ccccn2)n1CCSC(F)(F)F ZINC001316497765 1066451174 /nfs/dbraw/zinc/45/11/74/1066451174.db2.gz UQAUGIQNMZMIMF-GOSISDBHSA-N 1 1 476.572 4.228 20 0 JIADMO 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 1066452837 /nfs/dbraw/zinc/45/28/37/1066452837.db2.gz OIEMWQGFQBZWLY-MZYLBHOOSA-N 1 1 496.700 4.348 20 0 JIADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(Nc3ccc(N4CCCC4=O)c(C)c3)c2c1C ZINC001337156384 1066461441 /nfs/dbraw/zinc/46/14/41/1066461441.db2.gz XJHDLOIEFXKXFX-UHFFFAOYSA-N 1 1 467.595 4.417 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3csc(NC(=O)c4cccs4)n3)CC2)cc1 ZINC001337166011 1066462170 /nfs/dbraw/zinc/46/21/70/1066462170.db2.gz ZGHNWUDMBRXKAV-UHFFFAOYSA-N 1 1 454.621 4.042 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2CCSC2(C)C)C[C@H](C)O1 ZINC001316502351 1066465143 /nfs/dbraw/zinc/46/51/43/1066465143.db2.gz ARDLCSZQSCSVBW-NSHGMRRFSA-N 1 1 463.717 4.008 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccsc3)n2C[C@@H]2CCSC2(C)C)C[C@H](C)O1 ZINC001316502351 1066465155 /nfs/dbraw/zinc/46/51/55/1066465155.db2.gz ARDLCSZQSCSVBW-NSHGMRRFSA-N 1 1 463.717 4.008 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3ccsc3)n2Cc2c(F)cc(F)c(F)c2F)C[C@H](C)O1 ZINC001316503200 1066468139 /nfs/dbraw/zinc/46/81/39/1066468139.db2.gz OAXMLGKFAIWPPM-GASCZTMLSA-N 1 1 497.562 4.081 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3ccsc3)n2Cc2c(F)cc(F)c(F)c2F)C[C@H](C)O1 ZINC001316503200 1066468161 /nfs/dbraw/zinc/46/81/61/1066468161.db2.gz OAXMLGKFAIWPPM-GASCZTMLSA-N 1 1 497.562 4.081 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccn3)n2CC(C)(C)c2cccc(F)c2)C[C@H](C)O1 ZINC001316503320 1066468390 /nfs/dbraw/zinc/46/83/90/1066468390.db2.gz JSJUFFUWELPECX-BGYRXZFFSA-N 1 1 466.605 4.002 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccn3)n2CC(C)(C)c2cccc(F)c2)C[C@H](C)O1 ZINC001316503320 1066468395 /nfs/dbraw/zinc/46/83/95/1066468395.db2.gz JSJUFFUWELPECX-BGYRXZFFSA-N 1 1 466.605 4.002 20 0 JIADMO O=C(C[NH+]1CCC(CO)CC1)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC001337245675 1066468546 /nfs/dbraw/zinc/46/85/46/1066468546.db2.gz VJWXJEDSTAVNNR-HXUWFJFHSA-N 1 1 460.405 4.427 20 0 JIADMO FC(F)(F)CCCn1c(Cc2ccsc2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001316511732 1066497903 /nfs/dbraw/zinc/49/79/03/1066497903.db2.gz BUMUPOCGMFNYGB-UHFFFAOYSA-N 1 1 479.572 4.474 20 0 JIADMO CCC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C(=O)N1CCc2sccc2C1 ZINC001338377554 1066550778 /nfs/dbraw/zinc/55/07/78/1066550778.db2.gz FEOJCEXIBXSECK-HSZRJFAPSA-N 1 1 468.667 4.027 20 0 JIADMO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001338478417 1066558012 /nfs/dbraw/zinc/55/80/12/1066558012.db2.gz UDYYIKMRBKXBAK-UHFFFAOYSA-N 1 1 471.605 4.316 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)N3CCC(c4nc5ccccc5s4)CC3)c2)CC1 ZINC001338479197 1066558875 /nfs/dbraw/zinc/55/88/75/1066558875.db2.gz ZTHRFTLQTXJWSD-UHFFFAOYSA-N 1 1 463.651 4.133 20 0 JIADMO Cc1ncsc1CN(C)c1nnc(COc2cccc(C)c2)n1CC[N@@H+](C)C1CCCC1 ZINC001492537724 1066595043 /nfs/dbraw/zinc/59/50/43/1066595043.db2.gz HVCRKJUZDQIPHJ-UHFFFAOYSA-N 1 1 454.644 4.441 20 0 JIADMO Cc1nn(C)c(C)c1CN(C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001492538086 1066601544 /nfs/dbraw/zinc/60/15/44/1066601544.db2.gz SFUKKBLKBWWFII-DEOSSOPVSA-N 1 1 479.673 4.273 20 0 JIADMO Cc1c(CN(C)c2nnc(COc3cccc(C)c3)n2CC[N@@H+](C)C2CCCCC2)cnn1C ZINC001492538125 1066603138 /nfs/dbraw/zinc/60/31/38/1066603138.db2.gz UHKCOYDGAMVSST-UHFFFAOYSA-N 1 1 465.646 4.108 20 0 JIADMO OCCC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001316587982 1066614565 /nfs/dbraw/zinc/61/45/65/1066614565.db2.gz FMTIHYUZWKZMFO-OAHLLOKOSA-N 1 1 488.822 4.484 20 0 JIADMO Cc1cnc([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001492540615 1066636423 /nfs/dbraw/zinc/63/64/23/1066636423.db2.gz YYVFDNGPOCAWOH-NJYVYQBISA-N 1 1 498.697 4.280 20 0 JIADMO Cc1cnc([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001492540615 1066636429 /nfs/dbraw/zinc/63/64/29/1066636429.db2.gz YYVFDNGPOCAWOH-NJYVYQBISA-N 1 1 498.697 4.280 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN([C@H](C)C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2)cc1 ZINC001345036351 1066638054 /nfs/dbraw/zinc/63/80/54/1066638054.db2.gz HCSLIZNROCEDET-JOCHJYFZSA-N 1 1 474.605 4.053 20 0 JIADMO Cc1cccc(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001492542054 1066652515 /nfs/dbraw/zinc/65/25/15/1066652515.db2.gz KSEMWCOBOGJMDA-VXKWHMMOSA-N 1 1 498.672 4.095 20 0 JIADMO Cc1cccc(OCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2C[C@](C)(O)CCC(C)C)c1 ZINC001492542380 1066656327 /nfs/dbraw/zinc/65/63/27/1066656327.db2.gz NAHBHMZWEQYWDY-TVZXLZGTSA-N 1 1 455.647 4.026 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001492542725 1066661003 /nfs/dbraw/zinc/66/10/03/1066661003.db2.gz RJQZZXICAGUTIG-LADGPHEKSA-N 1 1 469.674 4.395 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@H]2CCC[C@@H](O)C2)c1 ZINC001492543307 1066664770 /nfs/dbraw/zinc/66/47/70/1066664770.db2.gz HOWMORRUBHXMLG-DNQXCXABSA-N 1 1 469.674 4.273 20 0 JIADMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1S(=O)(=O)N1CCCCC1 ZINC001347985978 1066712102 /nfs/dbraw/zinc/71/21/02/1066712102.db2.gz PHLYHGHKZXIYGC-QFIPXVFZSA-N 1 1 455.624 4.020 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(S(=O)(=O)C4CCCC4)cc3)CC2)cc1 ZINC001317858976 1066738045 /nfs/dbraw/zinc/73/80/45/1066738045.db2.gz OIKPVGBRNWYBTO-UHFFFAOYSA-N 1 1 455.624 4.451 20 0 JIADMO Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)C2=O)cc1 ZINC001348347709 1066738265 /nfs/dbraw/zinc/73/82/65/1066738265.db2.gz SPMDXSRFKRNKIW-DTBYZMGXSA-N 1 1 457.983 4.104 20 0 JIADMO Cc1cc(NC(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)ccc1N1CCSCC1 ZINC001348368633 1066739318 /nfs/dbraw/zinc/73/93/18/1066739318.db2.gz ALGLPEVUGMORHT-UHFFFAOYSA-N 1 1 479.650 4.479 20 0 JIADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)Nc2ccc(SC(F)(F)F)cc2)c1 ZINC001317872841 1066746289 /nfs/dbraw/zinc/74/62/89/1066746289.db2.gz BYPQKYVLERUGQM-UHFFFAOYSA-N 1 1 482.528 4.281 20 0 JIADMO CN1c2ccccc2[C@@H](C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)CC1=O ZINC001317882827 1066752344 /nfs/dbraw/zinc/75/23/44/1066752344.db2.gz QIYCFXSHRRUVHL-SANMLTNESA-N 1 1 468.601 4.093 20 0 JIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(CN4C(=O)c5ccccc5C4=O)CC3)cc2)C1 ZINC001317914636 1066783743 /nfs/dbraw/zinc/78/37/43/1066783743.db2.gz KGFCIKKJTMGKJB-OAQYLSRUSA-N 1 1 488.632 4.136 20 0 JIADMO Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC001317957045 1066810566 /nfs/dbraw/zinc/81/05/66/1066810566.db2.gz GJXLTJSSHCQMNI-UHFFFAOYSA-N 1 1 459.619 4.158 20 0 JIADMO CCc1cccc[n+]1C(C(=O)c1ccc(NC(C)=O)c(SC)c1)C(=S)NC1CCN(C)CC1 ZINC001317975042 1066826186 /nfs/dbraw/zinc/82/61/86/1066826186.db2.gz LLMXTQWJUYGAFI-UHFFFAOYSA-O 1 1 485.699 4.112 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)C1 ZINC001318084775 1066892566 /nfs/dbraw/zinc/89/25/66/1066892566.db2.gz VJBBAEWZFWBUGR-WMBPSLEXSA-N 1 1 479.621 4.036 20 0 JIADMO O=C(CSc1ccc(Br)cc1)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC001318084986 1066892876 /nfs/dbraw/zinc/89/28/76/1066892876.db2.gz WHTPQGGXPDMQAE-UHFFFAOYSA-N 1 1 474.424 4.467 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)[C@@H](c2cnn(C)c2)C1 ZINC001350017972 1066906798 /nfs/dbraw/zinc/90/67/98/1066906798.db2.gz KBWYRIAPFWLFHH-JKSUJKDBSA-N 1 1 467.517 4.381 20 0 JIADMO CCN(CC)C(=O)c1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1 ZINC001350114925 1066920001 /nfs/dbraw/zinc/92/00/01/1066920001.db2.gz KBRDVAYPCITZQG-DNQXCXABSA-N 1 1 476.646 4.157 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC001318156317 1066928898 /nfs/dbraw/zinc/92/88/98/1066928898.db2.gz MOWJEJDERLCFDL-JTHBVZDNSA-N 1 1 458.647 4.248 20 0 JIADMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)ccc1F ZINC001350474352 1066961428 /nfs/dbraw/zinc/96/14/28/1066961428.db2.gz FXQUCLOHLZFTBR-FGZHOGPDSA-N 1 1 453.558 4.399 20 0 JIADMO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318229245 1066972524 /nfs/dbraw/zinc/97/25/24/1066972524.db2.gz CIRJSLGYAZUEBH-SFHVURJKSA-N 1 1 461.632 4.134 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CC=CC[C@@H]3c3nc4ccccc4s3)c2)CC1 ZINC001318249093 1066983102 /nfs/dbraw/zinc/98/31/02/1066983102.db2.gz YJSDHGAGUSAEJF-GOTSBHOMSA-N 1 1 460.647 4.410 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[N@H+]2CCCC[C@H]2C)c1 ZINC001492548128 1066985666 /nfs/dbraw/zinc/98/56/66/1066985666.db2.gz SMLICVGRAQILSP-VWNXMTODSA-N 1 1 455.647 4.291 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC001318262922 1066990207 /nfs/dbraw/zinc/99/02/07/1066990207.db2.gz QEHBBMWYJUIUDX-UHFFFAOYSA-N 1 1 483.528 4.190 20 0 JIADMO Cc1[nH+]ccn1CCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001492548330 1066990882 /nfs/dbraw/zinc/99/08/82/1066990882.db2.gz XZZPVBJNCVSSKO-QFIPXVFZSA-N 1 1 452.603 4.012 20 0 JIADMO O=C(NCc1ccc(-n2cnc3ccccc32)nc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001318308189 1067010759 /nfs/dbraw/zinc/01/07/59/1067010759.db2.gz GRCJTDQXIWOPQT-UHFFFAOYSA-N 1 1 468.605 4.271 20 0 JIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1cnc2scc(-c3ccccc3)n2c1=O ZINC001318324401 1067017569 /nfs/dbraw/zinc/01/75/69/1067017569.db2.gz TXBUTJQTXYMMBG-UHFFFAOYSA-N 1 1 480.540 4.096 20 0 JIADMO CC(C)(C)OC(=O)[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)Cc2ccccc21 ZINC001300687003 1067030141 /nfs/dbraw/zinc/03/01/41/1067030141.db2.gz IKQWYAMJUIFWCJ-PKTZIBPZSA-N 1 1 452.620 4.244 20 0 JIADMO CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001318434450 1067042120 /nfs/dbraw/zinc/04/21/20/1067042120.db2.gz NWKXSELWTFKJCT-UHFFFAOYSA-N 1 1 479.600 4.002 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(CC(=O)Nc3nc(-c4c[nH]c5ccccc54)cs3)C2)ccn1 ZINC001351119099 1067048573 /nfs/dbraw/zinc/04/85/73/1067048573.db2.gz ZXUXKHZGCCRFNB-FQEVSTJZSA-N 1 1 490.633 4.230 20 0 JIADMO CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC001351237891 1067063690 /nfs/dbraw/zinc/06/36/90/1067063690.db2.gz UVGRPVFFSOHHOM-WIYYLYMNSA-N 1 1 458.400 4.106 20 0 JIADMO CC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC001351237891 1067063698 /nfs/dbraw/zinc/06/36/98/1067063698.db2.gz UVGRPVFFSOHHOM-WIYYLYMNSA-N 1 1 458.400 4.106 20 0 JIADMO Cc1ccc(S(=O)(=O)C2(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CCCC2)cc1 ZINC001354728639 1067065040 /nfs/dbraw/zinc/06/50/40/1067065040.db2.gz CBERFTSRAWAGNH-URXFXBBRSA-N 1 1 454.636 4.108 20 0 JIADMO COc1ncccc1Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001300705213 1067071665 /nfs/dbraw/zinc/07/16/65/1067071665.db2.gz FMIBVLWDTVFVGW-OAQYLSRUSA-N 1 1 462.642 4.419 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)NC3CCN(Cc4ccc(F)c(F)c4)CC3)CC2)cc1 ZINC001319301835 1067071685 /nfs/dbraw/zinc/07/16/85/1067071685.db2.gz OPXVVWCMCDOVBT-UHFFFAOYSA-N 1 1 456.581 4.155 20 0 JIADMO Cc1nn(C)cc1CCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC001351448514 1067096419 /nfs/dbraw/zinc/09/64/19/1067096419.db2.gz IHDBBDSSGPAORH-UHFFFAOYSA-N 1 1 452.002 4.275 20 0 JIADMO CCn1c2ccccc2c2cc(C[N@H+](C)CC(=O)N(CCC(N)=O)c3ccccc3OC)ccc21 ZINC001321394143 1067109623 /nfs/dbraw/zinc/10/96/23/1067109623.db2.gz HWPBIAQFZBFPBL-UHFFFAOYSA-N 1 1 472.589 4.163 20 0 JIADMO CCn1c2ccccc2c2cc(C[N@@H+](C)CC(=O)N(CCC(N)=O)c3ccccc3OC)ccc21 ZINC001321394143 1067109631 /nfs/dbraw/zinc/10/96/31/1067109631.db2.gz HWPBIAQFZBFPBL-UHFFFAOYSA-N 1 1 472.589 4.163 20 0 JIADMO CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001321485362 1067142937 /nfs/dbraw/zinc/14/29/37/1067142937.db2.gz HLWFPAXPMGAHAF-HSZRJFAPSA-N 1 1 475.593 4.191 20 0 JIADMO COc1cccc(Br)c1[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=S)NC(C)C ZINC001200795913 1067150472 /nfs/dbraw/zinc/15/04/72/1067150472.db2.gz XJCGHDVDVJJVJH-IEBWSBKVSA-N 1 1 462.457 4.298 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc1 ZINC001321520451 1067155777 /nfs/dbraw/zinc/15/57/77/1067155777.db2.gz WUGSVMDNKHHIFL-XMMPIXPASA-N 1 1 451.611 4.165 20 0 JIADMO C[N@H+]1C[C@H]2CCCN(C(=S)Nc3c(F)cc(Br)cc3Br)[C@H]2C1 ZINC001200798435 1067173794 /nfs/dbraw/zinc/17/37/94/1067173794.db2.gz BFXZLGSMOKLHSU-RNCFNFMXSA-N 1 1 451.203 4.074 20 0 JIADMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200800996 1067198562 /nfs/dbraw/zinc/19/85/62/1067198562.db2.gz CNBKOFOXTQSGPE-LLVKDONJSA-N 1 1 453.219 4.462 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001492577987 1067199576 /nfs/dbraw/zinc/19/95/76/1067199576.db2.gz SSYMLIUNSVJRNN-NRFANRHFSA-N 1 1 461.658 4.459 20 0 JIADMO C[N@H+]1CCC[C@@H]2CN(C(=S)Nc3c(F)cc(Br)cc3Br)C[C@@H]21 ZINC001200802696 1067210655 /nfs/dbraw/zinc/21/06/55/1067210655.db2.gz ZRWXMRBOHZGBMW-RNCFNFMXSA-N 1 1 451.203 4.074 20 0 JIADMO Fc1cc(Br)cc(Br)c1NC(=S)N[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC001200804909 1067222621 /nfs/dbraw/zinc/22/26/21/1067222621.db2.gz KQQHWQMSDCIXNC-ZDUSSCGKSA-N 1 1 488.224 4.307 20 0 JIADMO Fc1cc(Br)cc(Br)c1NC(=S)N[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC001200804909 1067222643 /nfs/dbraw/zinc/22/26/43/1067222643.db2.gz KQQHWQMSDCIXNC-ZDUSSCGKSA-N 1 1 488.224 4.307 20 0 JIADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)c1 ZINC001321959486 1067232704 /nfs/dbraw/zinc/23/27/04/1067232704.db2.gz HFGFHBKOEXMCCZ-FQEVSTJZSA-N 1 1 454.983 4.089 20 0 JIADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)c1 ZINC001321959486 1067232726 /nfs/dbraw/zinc/23/27/26/1067232726.db2.gz HFGFHBKOEXMCCZ-FQEVSTJZSA-N 1 1 454.983 4.089 20 0 JIADMO CO[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300744476 1067244878 /nfs/dbraw/zinc/24/48/78/1067244878.db2.gz IISSKIDLXSHCNT-ISKFKSNPSA-N 1 1 455.647 4.210 20 0 JIADMO 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 1067249843 /nfs/dbraw/zinc/24/98/43/1067249843.db2.gz RUQIJVSIMGRNFA-BAGYTPMASA-N 1 1 495.590 4.157 20 0 JIADMO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)C1 ZINC001322119353 1067254270 /nfs/dbraw/zinc/25/42/70/1067254270.db2.gz BJXDEBPSAINBNP-OAHLLOKOSA-N 1 1 470.422 4.256 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)C1 ZINC001322119353 1067254300 /nfs/dbraw/zinc/25/43/00/1067254300.db2.gz BJXDEBPSAINBNP-OAHLLOKOSA-N 1 1 470.422 4.256 20 0 JIADMO C[C@]12CCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]1C2(Br)Br ZINC001300753204 1067278039 /nfs/dbraw/zinc/27/80/39/1067278039.db2.gz VMEGPWIEWZFUKL-SCTDSRPQSA-N 1 1 470.249 4.253 20 0 JIADMO Cc1cc(Cl)cc(Cl)c1NC(=S)N1CCC([NH+]2CCC(N3CCN(C)CC3)CC2)CC1 ZINC001200817125 1067280078 /nfs/dbraw/zinc/28/00/78/1067280078.db2.gz AGJUDBOHJSPQKY-UHFFFAOYSA-N 1 1 484.541 4.175 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@H]1CCCN1c1ncnc2sccc21 ZINC001322450354 1067295082 /nfs/dbraw/zinc/29/50/82/1067295082.db2.gz WDTNDFKNADEHGX-HXUWFJFHSA-N 1 1 461.595 4.161 20 0 JIADMO CCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC([NH+](CC)CC)CC3)ccc2OC)cc1 ZINC001322591438 1067304518 /nfs/dbraw/zinc/30/45/18/1067304518.db2.gz ZMWXTRZCMHAZTB-UHFFFAOYSA-N 1 1 473.639 4.005 20 0 JIADMO CC[N@@H+]1CCC[C@H](CNCc2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)C1 ZINC001322611708 1067306382 /nfs/dbraw/zinc/30/63/82/1067306382.db2.gz SRWQPPHAOVGIDK-GOSISDBHSA-N 1 1 463.981 4.327 20 0 JIADMO CC[N@H+]1CCC[C@H](CNCc2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)C1 ZINC001322611708 1067306398 /nfs/dbraw/zinc/30/63/98/1067306398.db2.gz SRWQPPHAOVGIDK-GOSISDBHSA-N 1 1 463.981 4.327 20 0 JIADMO Cc1cc(NC(=O)C2CCN(C(=O)NCc3ccccc3C[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)no1 ZINC000500697072 1067307439 /nfs/dbraw/zinc/30/74/39/1067307439.db2.gz HUMGDEOGWWWCTG-KDURUIRLSA-N 1 1 467.614 4.021 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc4ccccc4n3CC(F)(F)F)cc2)C1 ZINC001352237332 1067314680 /nfs/dbraw/zinc/31/46/80/1067314680.db2.gz KSEBUBCZPBJUAL-SFHVURJKSA-N 1 1 458.484 4.153 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001492552751 1067319458 /nfs/dbraw/zinc/31/94/58/1067319458.db2.gz DMYOQZRVSIUIGD-IBGGVINMSA-N 1 1 499.700 4.325 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001300771762 1067320520 /nfs/dbraw/zinc/32/05/20/1067320520.db2.gz FBLNOLSHCLOBCD-LADGPHEKSA-N 1 1 455.647 4.354 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001300772752 1067323420 /nfs/dbraw/zinc/32/34/20/1067323420.db2.gz MEBGUCMIRUHQLZ-NZQKXSOJSA-N 1 1 476.065 4.494 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001300773970 1067326615 /nfs/dbraw/zinc/32/66/15/1067326615.db2.gz VJYHCFZHARVAGE-LADGPHEKSA-N 1 1 455.647 4.149 20 0 JIADMO COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC001355013624 1067337074 /nfs/dbraw/zinc/33/70/74/1067337074.db2.gz VTFZUWOZZOIONI-IRXDYDNUSA-N 1 1 455.530 4.152 20 0 JIADMO COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC001355013624 1067337086 /nfs/dbraw/zinc/33/70/86/1067337086.db2.gz VTFZUWOZZOIONI-IRXDYDNUSA-N 1 1 455.530 4.152 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC2(CC(C)C)CC2)n1 ZINC001492497903 1067339963 /nfs/dbraw/zinc/33/99/63/1067339963.db2.gz LZGYHSKAFIDCBF-UHFFFAOYSA-N 1 1 454.663 4.269 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3ccccn3)n2CCC[N@H+]2CCCC[C@H]2C)c(OC)c1 ZINC001300001990 1067341904 /nfs/dbraw/zinc/34/19/04/1067341904.db2.gz IIRXBIVVJOGQJZ-HXUWFJFHSA-N 1 1 464.614 4.258 20 0 JIADMO CCS(=O)(=O)Nc1ccc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1C ZINC001200004331 1067344393 /nfs/dbraw/zinc/34/43/93/1067344393.db2.gz VAGYYICJWSBNLG-IBGZPJMESA-N 1 1 450.649 4.265 20 0 JIADMO COc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CCC[N@H+]2CCCC[C@H]2C)c(OC)c1 ZINC001300008141 1067358254 /nfs/dbraw/zinc/35/82/54/1067358254.db2.gz CQKDCMINGKZWGL-IFMALSPDSA-N 1 1 471.646 4.232 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001492581404 1067383935 /nfs/dbraw/zinc/38/39/35/1067383935.db2.gz GCMYCYNIEKLWFA-VWLOTQADSA-N 1 1 494.728 4.240 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1Br ZINC001300021730 1067386179 /nfs/dbraw/zinc/38/61/79/1067386179.db2.gz JFRYPWIZYWKFPF-HRCADAONSA-N 1 1 462.436 4.291 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@@H](C)[N@@H+](C)C2CC2)cc1Br ZINC001300021732 1067386200 /nfs/dbraw/zinc/38/62/00/1067386200.db2.gz JFRYPWIZYWKFPF-OWCLPIDISA-N 1 1 462.436 4.291 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001492582029 1067389100 /nfs/dbraw/zinc/38/91/00/1067389100.db2.gz VWYUEERDKPYGMA-HSZRJFAPSA-N 1 1 480.701 4.137 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCCCCSC)c(OC)c1 ZINC001300027365 1067401684 /nfs/dbraw/zinc/40/16/84/1067401684.db2.gz MPNLIBBSRAXDCQ-MOPGFXCFSA-N 1 1 459.660 4.169 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC001300041342 1067468588 /nfs/dbraw/zinc/46/85/88/1067468588.db2.gz DMMKXPMLJGRINQ-HDICACEKSA-N 1 1 463.573 4.176 20 0 JIADMO CN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001355528527 1067500270 /nfs/dbraw/zinc/50/02/70/1067500270.db2.gz DSBHRVZATXPHTO-RPWUZVMVSA-N 1 1 451.611 4.418 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC001300048549 1067503491 /nfs/dbraw/zinc/50/34/91/1067503491.db2.gz BJZGBGSLDIGZEN-FYYLOGMGSA-N 1 1 485.673 4.336 20 0 JIADMO CC[C@H](NC(=O)c1csc(-c2ccccc2OC)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355543614 1067504626 /nfs/dbraw/zinc/50/46/26/1067504626.db2.gz ARIGTVPOFHGPDZ-REWPJTCUSA-N 1 1 451.592 4.228 20 0 JIADMO CC[C@H](NC(=O)c1csc(-c2ccccc2OC)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355543614 1067504639 /nfs/dbraw/zinc/50/46/39/1067504639.db2.gz ARIGTVPOFHGPDZ-REWPJTCUSA-N 1 1 451.592 4.228 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCC[C@H]2C)cc1OC ZINC001300051056 1067512572 /nfs/dbraw/zinc/51/25/72/1067512572.db2.gz WYVJNBAEIKRTIJ-AEFFLSMTSA-N 1 1 467.536 4.225 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)CC3)n2CC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC001300051224 1067513715 /nfs/dbraw/zinc/51/37/15/1067513715.db2.gz DSSNTBZLMCUHEU-RXFWQSSRSA-N 1 1 471.646 4.090 20 0 JIADMO COc1ccc(-c2nnc(N3CCCC(C)(C)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1Br ZINC001300052043 1067520466 /nfs/dbraw/zinc/52/04/66/1067520466.db2.gz SXEJJFPNTKOWMO-QGZVFWFLSA-N 1 1 492.462 4.063 20 0 JIADMO COc1ccc(-c2nnc(N3CCCC(C)(C)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1Br ZINC001300052043 1067520486 /nfs/dbraw/zinc/52/04/86/1067520486.db2.gz SXEJJFPNTKOWMO-QGZVFWFLSA-N 1 1 492.462 4.063 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC001300052118 1067521067 /nfs/dbraw/zinc/52/10/67/1067521067.db2.gz VNGWDTJENOQAFV-RXFWQSSRSA-N 1 1 471.646 4.232 20 0 JIADMO COc1ccc(CCNC(=S)N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)cc1OC ZINC001200072412 1067526181 /nfs/dbraw/zinc/52/61/81/1067526181.db2.gz KEPOARUDGRONGU-UHFFFAOYSA-N 1 1 474.696 4.016 20 0 JIADMO Cc1cc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)ccc1NC(=O)OC(C)(C)C ZINC001355714942 1067560848 /nfs/dbraw/zinc/56/08/48/1067560848.db2.gz OUFUMIUBMSTCAZ-NRFANRHFSA-N 1 1 452.555 4.044 20 0 JIADMO Cc1cc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)ccc1NC(=O)OC(C)(C)C ZINC001355714942 1067560870 /nfs/dbraw/zinc/56/08/70/1067560870.db2.gz OUFUMIUBMSTCAZ-NRFANRHFSA-N 1 1 452.555 4.044 20 0 JIADMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)c1 ZINC001355735127 1067567118 /nfs/dbraw/zinc/56/71/18/1067567118.db2.gz KHDYBILMZUOAIV-HSZRJFAPSA-N 1 1 457.640 4.206 20 0 JIADMO COc1cccc([C@H](OC)C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC001355800445 1067583219 /nfs/dbraw/zinc/58/32/19/1067583219.db2.gz NCQSPEBJNRZZRI-MHZLTWQESA-N 1 1 459.590 4.339 20 0 JIADMO CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC001355801075 1067583275 /nfs/dbraw/zinc/58/32/75/1067583275.db2.gz RVASAIBWNZACHU-LOSJGSFVSA-N 1 1 463.622 4.311 20 0 JIADMO C[N@@H+](CCCNC(=O)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl)Cc1ccccc1 ZINC001355905601 1067604800 /nfs/dbraw/zinc/60/48/00/1067604800.db2.gz CVIMYZUUJCMXHD-UHFFFAOYSA-N 1 1 451.880 4.191 20 0 JIADMO CC(C)c1ccc([C@H](CNc2ncc(S(N)(=O)=O)s2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000506849171 1067648526 /nfs/dbraw/zinc/64/85/26/1067648526.db2.gz CSSKYYCWMOGUGO-SFHVURJKSA-N 1 1 462.666 4.187 20 0 JIADMO CC(C)c1ccc([C@H](CNc2ncc(S(N)(=O)=O)s2)[N@H+]2CCc3sccc3C2)cc1 ZINC000506849171 1067648534 /nfs/dbraw/zinc/64/85/34/1067648534.db2.gz CSSKYYCWMOGUGO-SFHVURJKSA-N 1 1 462.666 4.187 20 0 JIADMO CCN(CC)C(=O)Cn1ccc2cc(NC(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)ccc21 ZINC001200114282 1067658101 /nfs/dbraw/zinc/65/81/01/1067658101.db2.gz VQJHDWRIHLBKLF-QHCPKHFHSA-N 1 1 453.631 4.428 20 0 JIADMO 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 1067660894 /nfs/dbraw/zinc/66/08/94/1067660894.db2.gz KFAZISXHWLCRLS-RZUBCFFCSA-N 1 1 469.674 4.466 20 0 JIADMO O=C(Cn1ccc(C(F)F)n1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC001356125450 1067666469 /nfs/dbraw/zinc/66/64/69/1067666469.db2.gz YWLZNNFLNFDWDA-UHFFFAOYSA-N 1 1 459.928 4.435 20 0 JIADMO C[C@H](c1ccc(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1)[NH+]1CCOCC1 ZINC001200122142 1067684245 /nfs/dbraw/zinc/68/42/45/1067684245.db2.gz PYDSWQKGKWJKRK-HXUWFJFHSA-N 1 1 457.018 4.473 20 0 JIADMO C[C@H](c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1)N1CCOCC1 ZINC001200122142 1067684260 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1069073880 /nfs/dbraw/zinc/07/38/80/1069073880.db2.gz MVLDUYFSJVQFMD-NHCUHLMSSA-N 1 1 470.017 4.435 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)[C@H](c2cnn(C)c2)C1 ZINC000849502320 1069074014 /nfs/dbraw/zinc/07/40/14/1069074014.db2.gz PVRRWKHHWOHNAH-UXHICEINSA-N 1 1 470.511 4.290 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849501894 1069074882 /nfs/dbraw/zinc/07/48/82/1069074882.db2.gz XWCIYHZHCLBBJL-LZYPDUGYSA-N 1 1 461.610 4.085 20 0 JIADMO CCCCOc1ccc([C@H](C)NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1OC ZINC000849502807 1069076643 /nfs/dbraw/zinc/07/66/43/1069076643.db2.gz SSOKKXCPAWQCCY-VJBMBRPKSA-N 1 1 456.631 4.299 20 0 JIADMO CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1Cl ZINC000849502667 1069078609 /nfs/dbraw/zinc/07/86/09/1069078609.db2.gz DMVJAVOSKPEYOK-CTNGQTDRSA-N 1 1 474.049 4.445 20 0 JIADMO CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)ccc1Cl ZINC000849502899 1069078696 /nfs/dbraw/zinc/07/86/96/1069078696.db2.gz FYXPTNUOVVHDFI-LADGPHEKSA-N 1 1 494.039 4.410 20 0 JIADMO COc1cc([C@H](C)NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OCc1ccncc1 ZINC000849504355 1069080398 /nfs/dbraw/zinc/08/03/98/1069080398.db2.gz OQWMOJKRPBEGAB-AMDXRBSFSA-N 1 1 491.636 4.094 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)[C@H](c2cnn(C)c2)C1 ZINC000849505310 1069085264 /nfs/dbraw/zinc/08/52/64/1069085264.db2.gz HCPBZELIPIFNCZ-MOPGFXCFSA-N 1 1 484.442 4.063 20 0 JIADMO Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849505033 1069085433 /nfs/dbraw/zinc/08/54/33/1069085433.db2.gz RDDAHGCVQMFKEA-RPWUZVMVSA-N 1 1 465.642 4.244 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(C)c2ccc(Br)cc2Cl)[C@H](c2cnn(C)c2)C1 ZINC000849507160 1069087115 /nfs/dbraw/zinc/08/71/15/1069087115.db2.gz PECHBAZTSLYTCE-SJORKVTESA-N 1 1 453.812 4.313 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849505577 1069087207 /nfs/dbraw/zinc/08/72/07/1069087207.db2.gz IGBUFYKRLIQZMO-WOJBJXKFSA-N 1 1 460.504 4.077 20 0 JIADMO 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 1069090761 /nfs/dbraw/zinc/09/07/61/1069090761.db2.gz HZSYTQBKUSDMPS-WDJPJFJCSA-N 1 1 465.642 4.053 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC2(c3ccc(Br)cc3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849510214 1069090807 /nfs/dbraw/zinc/09/08/07/1069090807.db2.gz PHRWHBAZMDBFSG-LEWJYISDSA-N 1 1 459.432 4.192 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001492575029 1069091380 /nfs/dbraw/zinc/09/13/80/1069091380.db2.gz GEMCQMSLYPICRO-NQHRYMMQSA-N 1 1 453.675 4.429 20 0 JIADMO CCCC(=O)Nc1nc2ccc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2s1 ZINC000849509598 1069092506 /nfs/dbraw/zinc/09/25/06/1069092506.db2.gz ZWWFDJXYKHIOQN-OALUTQOASA-N 1 1 468.627 4.221 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)[C@@H](c2cnn(C)c2)C1 ZINC000849510680 1069095130 /nfs/dbraw/zinc/09/51/30/1069095130.db2.gz KXZTZLLYVFFOLY-PZJWPPBQSA-N 1 1 481.000 4.173 20 0 JIADMO C[N@H+]1CCCN(c2ccc(NC(=O)[C@H](NC(=O)OCc3ccccc3)C(C)(C)C)cc2)CC1 ZINC001354309526 1069096427 /nfs/dbraw/zinc/09/64/27/1069096427.db2.gz TYRJTGFHQBYVIF-QHCPKHFHSA-N 1 1 452.599 4.108 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849513480 1069098023 /nfs/dbraw/zinc/09/80/23/1069098023.db2.gz SNPADWHJEVLGKQ-IZZNHLLZSA-N 1 1 458.606 4.152 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518289 1069105086 /nfs/dbraw/zinc/10/50/86/1069105086.db2.gz GNDFPMIJOOYJNF-FQLXRVMXSA-N 1 1 496.659 4.462 20 0 JIADMO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000849519349 1069109175 /nfs/dbraw/zinc/10/91/75/1069109175.db2.gz JBDOMEOIFJALLY-WDNCENIBSA-N 1 1 450.558 4.051 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518617 1069109948 /nfs/dbraw/zinc/10/99/48/1069109948.db2.gz OGPCEXJSIVPGEA-JWQCQUIFSA-N 1 1 471.605 4.076 20 0 JIADMO 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 1069111013 /nfs/dbraw/zinc/11/10/13/1069111013.db2.gz JUOKYSJPQNSOQC-QZTJIDSGSA-N 1 1 499.965 4.003 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849520428 1069111066 /nfs/dbraw/zinc/11/10/66/1069111066.db2.gz ZHDXHNBWLUSHDD-XZOQPEGZSA-N 1 1 458.566 4.318 20 0 JIADMO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)n(-c2ccccc2C(F)(F)F)n1 ZINC000849520445 1069111175 /nfs/dbraw/zinc/11/11/75/1069111175.db2.gz ZLPOUAKZCIMPIE-MOPGFXCFSA-N 1 1 474.531 4.386 20 0 JIADMO Cc1c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cccc1C(=O)Nc1ccccc1 ZINC000849520086 1069111800 /nfs/dbraw/zinc/11/18/00/1069111800.db2.gz VPFRDDQRQUWIHO-DNQXCXABSA-N 1 1 459.594 4.433 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849522267 1069114479 /nfs/dbraw/zinc/11/44/79/1069114479.db2.gz KMYZYUONAFVIFA-WOJBJXKFSA-N 1 1 452.628 4.050 20 0 JIADMO COc1cccc(Cn2c3ccccc3nc2NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849522088 1069114976 /nfs/dbraw/zinc/11/49/76/1069114976.db2.gz WZGICGUOHRKWKB-ZEQRLZLVSA-N 1 1 486.620 4.279 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccccc2NC(=O)Cc2cccs2)[C@H](c2cnn(C)c2)C1 ZINC000849522904 1069115937 /nfs/dbraw/zinc/11/59/37/1069115937.db2.gz QAOHSWPPEINELS-RTWAWAEBSA-N 1 1 465.623 4.115 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cn1 ZINC000849522711 1069116379 /nfs/dbraw/zinc/11/63/79/1069116379.db2.gz NOURWTFEMNHDFU-UXHICEINSA-N 1 1 459.472 4.300 20 0 JIADMO 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 1069117488 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1069157667 /nfs/dbraw/zinc/15/76/67/1069157667.db2.gz MXZFWYSYUDVPNF-HXUWFJFHSA-N 1 1 491.640 4.081 20 0 JIADMO CCN(C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000849539356 1069162719 /nfs/dbraw/zinc/16/27/19/1069162719.db2.gz SOVGUGJBHYNMQR-GPXNEJASSA-N 1 1 452.002 4.142 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849549098 1069188404 /nfs/dbraw/zinc/18/84/04/1069188404.db2.gz RNVMNQNFRXYNCV-XDWGWCSASA-N 1 1 478.662 4.322 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)cn1 ZINC000849551920 1069193253 /nfs/dbraw/zinc/19/32/53/1069193253.db2.gz GXFMCKTXPDIQCF-RTWAWAEBSA-N 1 1 481.000 4.069 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(OCc3ccccc3)c(Br)c2)cn1 ZINC000849552280 1069193958 /nfs/dbraw/zinc/19/39/58/1069193958.db2.gz NGUQXMJWLDINNG-RTWAWAEBSA-N 1 1 483.410 4.436 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)c(OC)c1 ZINC000849553132 1069196149 /nfs/dbraw/zinc/19/61/49/1069196149.db2.gz LXHQEBXLTQYAGU-RZTXVSJASA-N 1 1 483.012 4.032 20 0 JIADMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC001200658417 1069196535 /nfs/dbraw/zinc/19/65/35/1069196535.db2.gz YFOQBYXXCSPUCC-HNNXBMFYSA-N 1 1 459.266 4.093 20 0 JIADMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC001200658417 1069196538 /nfs/dbraw/zinc/19/65/38/1069196538.db2.gz YFOQBYXXCSPUCC-HNNXBMFYSA-N 1 1 459.266 4.093 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000849555125 1069200415 /nfs/dbraw/zinc/20/04/15/1069200415.db2.gz XHZJEMUPAUHGTF-FGZHOGPDSA-N 1 1 465.425 4.080 20 0 JIADMO COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849556078 1069202075 /nfs/dbraw/zinc/20/20/75/1069202075.db2.gz VHWTYSJDEPJNHR-PFBJBMPXSA-N 1 1 460.622 4.181 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)[C@H](c2cnn(C)c2)C1 ZINC000849557057 1069203586 /nfs/dbraw/zinc/20/35/86/1069203586.db2.gz YGUZBAFLMQIJLL-GOTSBHOMSA-N 1 1 487.689 4.016 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)[C@@H](c2cnn(C)c2)C1 ZINC000849557059 1069203712 /nfs/dbraw/zinc/20/37/12/1069203712.db2.gz YGUZBAFLMQIJLL-XZOQPEGZSA-N 1 1 487.689 4.016 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)cn1 ZINC000849561746 1069212049 /nfs/dbraw/zinc/21/20/49/1069212049.db2.gz KVDACUYOYUYLPC-XZOQPEGZSA-N 1 1 471.527 4.098 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N(Cc2ccccc2Br)C2CCCC2)cn1 ZINC000849562554 1069212802 /nfs/dbraw/zinc/21/28/02/1069212802.db2.gz FHRRWJAIAKHJEW-RTWAWAEBSA-N 1 1 459.432 4.189 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(Br)ccc2N2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849565445 1069214406 /nfs/dbraw/zinc/21/44/06/1069214406.db2.gz VUKNLMFZEQRAQD-WOJBJXKFSA-N 1 1 474.447 4.235 20 0 JIADMO CCCN(C(=O)c1ccccc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)C(C)C ZINC000849565288 1069215692 /nfs/dbraw/zinc/21/56/92/1069215692.db2.gz SRHLYRBXLBIAHO-GGAORHGYSA-N 1 1 453.631 4.133 20 0 JIADMO Cc1sc([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)nc1-c1ccc(Cl)cc1 ZINC000849565665 1069217229 /nfs/dbraw/zinc/21/72/29/1069217229.db2.gz ZJARUQUZZNOLTP-KPOBHBOGSA-N 1 1 458.031 4.418 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2CCSCC(F)(F)F)CC1 ZINC001300611183 1069218453 /nfs/dbraw/zinc/21/84/53/1069218453.db2.gz YLTVHWSTYAOICO-UHFFFAOYSA-N 1 1 471.593 4.202 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c2ccccc2OC)cc1 ZINC000849567543 1069219691 /nfs/dbraw/zinc/21/96/91/1069219691.db2.gz HKEMAAXSOQZZOA-NIYJGHKDSA-N 1 1 476.621 4.157 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)c3ccccc32)[C@H](c2cnn(C)c2)C1 ZINC000849568883 1069220454 /nfs/dbraw/zinc/22/04/54/1069220454.db2.gz QKPCMHGMOSPTQI-RPBOFIJWSA-N 1 1 457.622 4.287 20 0 JIADMO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849569794 1069221336 /nfs/dbraw/zinc/22/13/36/1069221336.db2.gz VTXJIIZDDFNISG-ROUUACIJSA-N 1 1 492.418 4.204 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cn1 ZINC000849569635 1069221398 /nfs/dbraw/zinc/22/13/98/1069221398.db2.gz VDOGHCUPGCTJCI-ZIAGYGMSSA-N 1 1 465.303 4.342 20 0 JIADMO Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849571372 1069222091 /nfs/dbraw/zinc/22/20/91/1069222091.db2.gz IEXGVCSDSHZVOL-UPVQGACJSA-N 1 1 495.668 4.326 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)[C@H](c2cnn(C)c2)C1 ZINC000849574469 1069224319 /nfs/dbraw/zinc/22/43/19/1069224319.db2.gz WQOVOISBCRNTLA-UXHICEINSA-N 1 1 460.504 4.077 20 0 JIADMO 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 1069224462 /nfs/dbraw/zinc/22/44/62/1069224462.db2.gz QCCZQEMBJLMLNG-OTWHNJEPSA-N 1 1 474.474 4.255 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)[C@H](c2cnn(C)c2)C1 ZINC000849574468 1069224550 /nfs/dbraw/zinc/22/45/50/1069224550.db2.gz WQOVOISBCRNTLA-PMACEKPBSA-N 1 1 460.504 4.077 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)[C@@H](c2cnn(C)c2)C1 ZINC000849575427 1069226586 /nfs/dbraw/zinc/22/65/86/1069226586.db2.gz DARQMJMZNHKQJN-LEWJYISDSA-N 1 1 467.614 4.170 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc(Br)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849574942 1069227817 /nfs/dbraw/zinc/22/78/17/1069227817.db2.gz YLULSZGIJSOPAE-RCCFBDPRSA-N 1 1 465.461 4.422 20 0 JIADMO CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849574814 1069228268 /nfs/dbraw/zinc/22/82/68/1069228268.db2.gz AFTQRTYGVWIDEK-VSKRKVRLSA-N 1 1 475.475 4.476 20 0 JIADMO CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849574816 1069228463 /nfs/dbraw/zinc/22/84/63/1069228463.db2.gz AFTQRTYGVWIDEK-YPAWHYETSA-N 1 1 475.475 4.476 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCc3c(Br)ccc(Cl)c3C2)[C@H](c2cnn(C)c2)C1 ZINC000849578242 1069229114 /nfs/dbraw/zinc/22/91/14/1069229114.db2.gz LAWBMVJIFLUMAP-ROUUACIJSA-N 1 1 479.850 4.235 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CC=C(c3cccc(Br)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849577647 1069230065 /nfs/dbraw/zinc/23/00/65/1069230065.db2.gz IPYXSSLGYSXRHJ-PKTZIBPZSA-N 1 1 471.443 4.312 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)[C@@H](c2cnn(C)c2)C1 ZINC000849579939 1069231129 /nfs/dbraw/zinc/23/11/29/1069231129.db2.gz SXMOFCYNBVMHFA-ACIOBRDBSA-N 1 1 477.678 4.279 20 0 JIADMO 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 1069232428 /nfs/dbraw/zinc/23/24/28/1069232428.db2.gz CDMJTLPFIOROHK-BXWFABGCSA-N 1 1 460.903 4.446 20 0 JIADMO 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 1069234482 /nfs/dbraw/zinc/23/44/82/1069234482.db2.gz XKVMULRZYCDBSH-PMACEKPBSA-N 1 1 452.521 4.184 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CC3(CCC3)c3cc(Br)ccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849583931 1069234896 /nfs/dbraw/zinc/23/48/96/1069234896.db2.gz VJECJCQSHJJOGN-WOJBJXKFSA-N 1 1 471.443 4.465 20 0 JIADMO 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 1069235517 /nfs/dbraw/zinc/23/55/17/1069235517.db2.gz ZONNGZHZERZWOT-AHRSYUTCSA-N 1 1 467.441 4.467 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3cccc(Br)c3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849586149 1069236388 /nfs/dbraw/zinc/23/63/88/1069236388.db2.gz GIYCEDOVTRBFGR-GOTSBHOMSA-N 1 1 473.459 4.403 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)[C@H](c2cnn(C)c2)C1 ZINC000849585764 1069237320 /nfs/dbraw/zinc/23/73/20/1069237320.db2.gz AZDNBEJRTVERBM-GMAHTHKFSA-N 1 1 460.626 4.411 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849592229 1069243583 /nfs/dbraw/zinc/24/35/83/1069243583.db2.gz NVCUPKGLWVHHER-RBZQAINGSA-N 1 1 459.034 4.172 20 0 JIADMO CCOc1cc(Br)c(F)cc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849594310 1069245441 /nfs/dbraw/zinc/24/54/41/1069245441.db2.gz GFYQPLWYEAHPLI-CVEARBPZSA-N 1 1 467.383 4.173 20 0 JIADMO COC1(CNC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CCC(c2ccccc2)CC1 ZINC000849595215 1069247203 /nfs/dbraw/zinc/24/72/03/1069247203.db2.gz WQTOCMRXSHKEQH-KWNRWNTKSA-N 1 1 452.643 4.093 20 0 JIADMO 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 1069247800 /nfs/dbraw/zinc/24/78/00/1069247800.db2.gz YVKQQQQSARFOEA-IPJJNNNSSA-N 1 1 467.441 4.435 20 0 JIADMO 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 1069250928 /nfs/dbraw/zinc/25/09/28/1069250928.db2.gz IRBJELHEIRENDY-JQFCIGGWSA-N 1 1 457.928 4.179 20 0 JIADMO COc1ccc([C@H](Cc2ccccc2)NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849597517 1069251955 /nfs/dbraw/zinc/25/19/55/1069251955.db2.gz TXXFKBOKYYERER-VJGNERBWSA-N 1 1 460.622 4.343 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)[C@@H](c2cnn(C)c2)C1 ZINC000849598022 1069254553 /nfs/dbraw/zinc/25/45/53/1069254553.db2.gz WWZYYRGOQJYTNM-IZZNHLLZSA-N 1 1 485.632 4.005 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cc(-c3cccs3)nn2Cc2ccccc2)cn1 ZINC000849602355 1069258053 /nfs/dbraw/zinc/25/80/53/1069258053.db2.gz MSAPIYHFWDNVDX-LEWJYISDSA-N 1 1 460.607 4.067 20 0 JIADMO CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849603152 1069259739 /nfs/dbraw/zinc/25/97/39/1069259739.db2.gz CKRGNSZZARXBBL-VXKWHMMOSA-N 1 1 450.549 4.344 20 0 JIADMO CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849603153 1069259980 /nfs/dbraw/zinc/25/99/80/1069259980.db2.gz CKRGNSZZARXBBL-YADHBBJMSA-N 1 1 450.549 4.344 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(COc3cccc(F)c3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849607366 1069263538 /nfs/dbraw/zinc/26/35/38/1069263538.db2.gz VCNGJDVAOUKPDE-IZZNHLLZSA-N 1 1 464.585 4.269 20 0 JIADMO 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 1069264338 /nfs/dbraw/zinc/26/43/38/1069264338.db2.gz MZKBQKIFPDFNLO-SGNDLWITSA-N 1 1 495.668 4.107 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Br)c3ncccc23)[C@@H](c2cnn(C)c2)C1 ZINC000849609535 1069265253 /nfs/dbraw/zinc/26/52/53/1069265253.db2.gz CJKFHJMHMXZGGB-SJLPKXTDSA-N 1 1 456.388 4.183 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849607633 1069265692 /nfs/dbraw/zinc/26/56/92/1069265692.db2.gz XJUVHCOGNDBRMX-WOJBJXKFSA-N 1 1 454.962 4.108 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000849610500 1069266443 /nfs/dbraw/zinc/26/64/43/1069266443.db2.gz JSRQLYAPNFZGGD-WPYKKVEZSA-N 1 1 455.027 4.345 20 0 JIADMO 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 1069266794 /nfs/dbraw/zinc/26/67/94/1069266794.db2.gz KOMMQCDGGDBALJ-DLBZAZTESA-N 1 1 456.475 4.404 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H]2CSCc3ccc(Br)cc32)[C@@H](c2cnn(C)c2)C1 ZINC000849611086 1069269448 /nfs/dbraw/zinc/26/94/48/1069269448.db2.gz SYIJIVNYPDAUGF-CEWLAPEOSA-N 1 1 477.472 4.101 20 0 JIADMO 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 1069270759 /nfs/dbraw/zinc/27/07/59/1069270759.db2.gz QSBZVPCTHUWJAH-YTFSRNRJSA-N 1 1 459.034 4.266 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)cn1 ZINC000849611574 1069272736 /nfs/dbraw/zinc/27/27/36/1069272736.db2.gz CPACHQZSULSDSP-SJORKVTESA-N 1 1 480.922 4.167 20 0 JIADMO COc1ccccc1OCc1nnc(N(C)[C@@H](C)C2CCCCC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001300632986 1069284795 /nfs/dbraw/zinc/28/47/95/1069284795.db2.gz QJKJXFLHUUTNJS-NRFANRHFSA-N 1 1 485.673 4.382 20 0 JIADMO O=C1Nc2ccccc2[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]12 ZINC001164401476 718857894 /nfs/dbraw/zinc/85/78/94/718857894.db2.gz FENHXXMCHKYJBS-MOPGFXCFSA-N 1 1 459.619 4.338 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@@H]3C)nc1 ZINC001164428026 718952118 /nfs/dbraw/zinc/95/21/18/718952118.db2.gz HTAANTJSZSGRBQ-RCZVLFRGSA-N 1 1 477.653 4.118 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@H]3C)nc1 ZINC001164428031 718952155 /nfs/dbraw/zinc/95/21/55/718952155.db2.gz HTAANTJSZSGRBQ-WIOPSUGQSA-N 1 1 477.653 4.118 20 0 JIADMO COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164431033 718953856 /nfs/dbraw/zinc/95/38/56/718953856.db2.gz ZLSLYLKJDJZVFU-HSZRJFAPSA-N 1 1 483.056 4.332 20 0 JIADMO COc1ccc(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)c(OC)c1OC ZINC001164628017 719106165 /nfs/dbraw/zinc/10/61/65/719106165.db2.gz LVCMJQTWHGGTTE-NFBKMPQASA-N 1 1 460.578 4.270 20 0 JIADMO CCn1nnc2c1[C@H](COC)CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164664407 719361522 /nfs/dbraw/zinc/36/15/22/719361522.db2.gz PPTVKJOAVNTCLV-ROUUACIJSA-N 1 1 495.697 4.164 20 0 JIADMO Fc1ccc(CN2CCOCC23CCN(c2[nH+]cnc4c2ccn4Cc2ccccc2)CC3)cc1 ZINC001164673349 719512489 /nfs/dbraw/zinc/51/24/89/719512489.db2.gz PKPJXCNMGWFCNK-UHFFFAOYSA-N 1 1 471.580 4.490 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](C(=O)N3CCCC3)C[C@H]3OCC[C@@H]32)n1 ZINC001164679047 719545445 /nfs/dbraw/zinc/54/54/45/719545445.db2.gz QTCWRTDQQCMPCO-BAGYTPMASA-N 1 1 491.661 4.026 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)n1 ZINC001164682615 719598699 /nfs/dbraw/zinc/59/86/99/719598699.db2.gz CIFILVOFUSEOMY-IBGZPJMESA-N 1 1 491.665 4.461 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)nc1 ZINC001164691337 719779938 /nfs/dbraw/zinc/77/99/38/719779938.db2.gz NJWYZEVHKBUTLD-HSZRJFAPSA-N 1 1 498.693 4.318 20 0 JIADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC001164698484 719859325 /nfs/dbraw/zinc/85/93/25/719859325.db2.gz CNZWGOBOIPPNMW-RXFWQSSRSA-N 1 1 480.996 4.183 20 0 JIADMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C2CC2)nc2scc(-c3ccccc3)c21 ZINC001164701716 719872891 /nfs/dbraw/zinc/87/28/91/719872891.db2.gz GXNVEKPETVURLB-CCLHPLFOSA-N 1 1 492.645 4.468 20 0 JIADMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C2CC2)nc2scc(-c3ccccc3)c21 ZINC001164701723 719872963 /nfs/dbraw/zinc/87/29/63/719872963.db2.gz GXNVEKPETVURLB-HRFSGMKKSA-N 1 1 492.645 4.468 20 0 JIADMO CCOC(=O)c1cc2c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)[nH]c(C)c(C)c-2n1 ZINC001164698262 719894067 /nfs/dbraw/zinc/89/40/67/719894067.db2.gz QMZPGAUHWVAWPP-UHFFFAOYSA-N 1 1 468.623 4.289 20 0 JIADMO COC(=O)C[C@@H](c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1)C1CC1 ZINC001164697732 719897546 /nfs/dbraw/zinc/89/75/46/719897546.db2.gz OVTJCYQHPSSXFH-JOCHJYFZSA-N 1 1 455.624 4.071 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)cc1-c1ccncc1)CC2 ZINC001164712080 720101390 /nfs/dbraw/zinc/10/13/90/720101390.db2.gz VERNIUIQGFNDPO-NRFANRHFSA-N 1 1 465.001 4.095 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)CC2 ZINC001164710044 720104971 /nfs/dbraw/zinc/10/49/71/720104971.db2.gz GEERUNSCNMZKLX-HSZRJFAPSA-N 1 1 498.071 4.264 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(SC)nc3ccsc31)CC2 ZINC001164715534 720114575 /nfs/dbraw/zinc/11/45/75/720114575.db2.gz HMLLIRTWMOWYQH-GOSISDBHSA-N 1 1 455.653 4.316 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)COc1ccnc(Cl)c1)CC2 ZINC001164718070 720116296 /nfs/dbraw/zinc/11/62/96/720116296.db2.gz RJWNGRVEOMICEY-IBGZPJMESA-N 1 1 466.960 4.105 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc(C)c(Cl)n1)CC2 ZINC001164717315 720122050 /nfs/dbraw/zinc/12/20/50/720122050.db2.gz NCNLUDZRGZICQE-LJQANCHMSA-N 1 1 450.961 4.491 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001164712272 720138705 /nfs/dbraw/zinc/13/87/05/720138705.db2.gz MHFNPWLQBDHFKI-JOCHJYFZSA-N 1 1 467.614 4.331 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3cccc(OC)c3)nc3ccccc31)C2 ZINC001164819870 720182183 /nfs/dbraw/zinc/18/21/83/720182183.db2.gz YUZHTGSTODWRFR-RBISFHTESA-N 1 1 458.606 4.490 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OCc4ccccc4)ccc31)C2 ZINC001164812836 720196938 /nfs/dbraw/zinc/19/69/38/720196938.db2.gz MMIQGBAUENNHRB-FIPFOOKPSA-N 1 1 458.606 4.394 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1OC)C2 ZINC001164814193 720199218 /nfs/dbraw/zinc/19/92/18/720199218.db2.gz UDYIKVYIGAZNAN-KOSHJBKYSA-N 1 1 458.990 4.116 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CCC2 ZINC001164812876 720216488 /nfs/dbraw/zinc/21/64/88/720216488.db2.gz MRUSMZIPYYUHSZ-UHFFFAOYSA-N 1 1 497.377 4.289 20 0 JIADMO Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)O2)n1 ZINC001164826796 720409015 /nfs/dbraw/zinc/40/90/15/720409015.db2.gz CUPUQNNBQJOEPR-FHWLQOOXSA-N 1 1 480.638 4.356 20 0 JIADMO Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C3)c1 ZINC001164731614 720493749 /nfs/dbraw/zinc/49/37/49/720493749.db2.gz WSSFPZYOMBQVNF-UQBPGWFLSA-N 1 1 475.008 4.194 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3nc(Cl)c4ccccc4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833667 720513400 /nfs/dbraw/zinc/51/34/00/720513400.db2.gz DMAIRODKZPGGGR-FUHIMQAGSA-N 1 1 460.960 4.402 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3nc4ccsc4c(Cl)n3)CC[C@@H]21 ZINC001164834860 720521050 /nfs/dbraw/zinc/52/10/50/720521050.db2.gz HRNSEMHLHDQNSQ-VYDXJSESSA-N 1 1 466.989 4.464 20 0 JIADMO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164838998 720537288 /nfs/dbraw/zinc/53/72/88/720537288.db2.gz PMAHWZFSGUYHDV-BBTUJRGHSA-N 1 1 483.016 4.034 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc(Oc4cccc(F)c4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837359 720568720 /nfs/dbraw/zinc/56/87/20/720568720.db2.gz LZTDFDAITLSWSE-IMFGXOCKSA-N 1 1 471.968 4.031 20 0 JIADMO CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164842714 720600657 /nfs/dbraw/zinc/60/06/57/720600657.db2.gz VFYNZXLDRZPIHN-SLFFLAALSA-N 1 1 482.654 4.059 20 0 JIADMO CCOC(=O)c1c2ccccn2c2ncnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c21 ZINC001164842771 720660640 /nfs/dbraw/zinc/66/06/40/720660640.db2.gz UEXDMMMLHKQWID-JOCHJYFZSA-N 1 1 499.615 4.319 20 0 JIADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837590 720661762 /nfs/dbraw/zinc/66/17/62/720661762.db2.gz DGBFBCMIEDZNDU-FQEVSTJZSA-N 1 1 458.002 4.480 20 0 JIADMO Cc1cc2nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc(N3CCOCC3)c2s1 ZINC001164843281 720700099 /nfs/dbraw/zinc/70/00/99/720700099.db2.gz NFMROKANSGXSTI-QFIPXVFZSA-N 1 1 493.677 4.096 20 0 JIADMO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840884 720705378 /nfs/dbraw/zinc/70/53/78/720705378.db2.gz RKOJPOACCYTECU-NRFANRHFSA-N 1 1 494.636 4.113 20 0 JIADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164840936 720708599 /nfs/dbraw/zinc/70/85/99/720708599.db2.gz SSINWKBZQWEBHU-LJQANCHMSA-N 1 1 479.955 4.326 20 0 JIADMO CC1CCN(C(=O)c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nc2)CC1 ZINC001164836469 720711420 /nfs/dbraw/zinc/71/14/20/720711420.db2.gz BCGGBWNQDDCISM-RUZDIDTESA-N 1 1 462.638 4.214 20 0 JIADMO Clc1ccc2nc(-c3ccccc3)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164744283 720718451 /nfs/dbraw/zinc/71/84/51/720718451.db2.gz ZBJSZYOQGAOLQF-PMACEKPBSA-N 1 1 458.953 4.082 20 0 JIADMO Fc1ccc(-c2nc3cc(Cl)ccc3c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164737850 720719773 /nfs/dbraw/zinc/71/97/73/720719773.db2.gz HJQDFGCKKAAMAV-VQTJNVASSA-N 1 1 476.943 4.221 20 0 JIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(C(N)=S)c3ccsc31)CC2 ZINC001164836848 720729410 /nfs/dbraw/zinc/72/94/10/720729410.db2.gz GHMKTZQUPYVKFP-SFHVURJKSA-N 1 1 452.649 4.190 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(c2nc(N3CCCC3)nc3c2C[NH2+]CC3)C2CC2)nc1 ZINC001164843947 720743439 /nfs/dbraw/zinc/74/34/39/720743439.db2.gz MWBJTBXFGISPGE-DEOSSOPVSA-N 1 1 461.658 4.355 20 0 JIADMO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(c2nc(N3CCCC3)nc3c2CNCC3)C2CC2)nc1 ZINC001164843947 720743447 /nfs/dbraw/zinc/74/34/47/720743447.db2.gz MWBJTBXFGISPGE-DEOSSOPVSA-N 1 1 461.658 4.355 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(c2nc(N3CCCC3)nc3c2CNCC3)C2CC2)nc1 ZINC001164843947 720743454 /nfs/dbraw/zinc/74/34/54/720743454.db2.gz MWBJTBXFGISPGE-DEOSSOPVSA-N 1 1 461.658 4.355 20 0 JIADMO Clc1ccc2nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164744208 720758903 /nfs/dbraw/zinc/75/89/03/720758903.db2.gz RMOKTJAHDPAZRS-VQTJNVASSA-N 1 1 458.953 4.082 20 0 JIADMO Fc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164750348 720790073 /nfs/dbraw/zinc/79/00/73/720790073.db2.gz VIXJJYYMFOCFAZ-OALUTQOASA-N 1 1 475.902 4.218 20 0 JIADMO Fc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164750348 720790086 /nfs/dbraw/zinc/79/00/86/720790086.db2.gz VIXJJYYMFOCFAZ-OALUTQOASA-N 1 1 475.902 4.218 20 0 JIADMO Fc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H](C[C@@H](Cn6cncn6)[N@H+]5CC5CC5)C4)c23)cc1 ZINC001164749309 720845596 /nfs/dbraw/zinc/84/55/96/720845596.db2.gz VPUKJXHRITWMSQ-UNWVZKJWSA-N 1 1 489.624 4.468 20 0 JIADMO Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C2)n1)CCCCC3 ZINC001164747525 720847905 /nfs/dbraw/zinc/84/79/05/720847905.db2.gz RECMZUYPAJVMEP-JAXLGGSGSA-N 1 1 477.682 4.240 20 0 JIADMO Clc1ccc(-c2nc3c(c(N4CC[C@@H]5[C@@H](C[C@H](Cn6cncn6)[N@H+]5CC5CC5)C4)n2)CCC3)s1 ZINC001164748123 720853227 /nfs/dbraw/zinc/85/32/27/720853227.db2.gz KHOJXJCFKFNCLA-WAOWUJCRSA-N 1 1 496.084 4.318 20 0 JIADMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164747023 720856152 /nfs/dbraw/zinc/85/61/52/720856152.db2.gz HMFGEIPEUOMPJO-LLZJGCNPSA-N 1 1 492.071 4.309 20 0 JIADMO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748744 720857402 /nfs/dbraw/zinc/85/74/02/720857402.db2.gz LXQXWLBVIGFYLC-FMGHJNRGSA-N 1 1 495.631 4.180 20 0 JIADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164752703 720858220 /nfs/dbraw/zinc/85/82/20/720858220.db2.gz UHYXEZWIGXEYEQ-QZNHQXDQSA-N 1 1 494.043 4.456 20 0 JIADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164752696 720858607 /nfs/dbraw/zinc/85/86/07/720858607.db2.gz UHYXEZWIGXEYEQ-MQSCRBSSSA-N 1 1 494.043 4.456 20 0 JIADMO Fc1ccc(F)c2c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cc(Cl)nc12 ZINC001164750401 720860002 /nfs/dbraw/zinc/86/00/02/720860002.db2.gz PQPATYOAYSITCE-TXPKVOOTSA-N 1 1 458.944 4.137 20 0 JIADMO COc1ccc2c(ccnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164752973 720879092 /nfs/dbraw/zinc/87/90/92/720879092.db2.gz OADBZNDJSBWVFB-YWEHKCAJSA-N 1 1 458.606 4.394 20 0 JIADMO c1ccc(Oc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)cc1 ZINC001164755308 720880657 /nfs/dbraw/zinc/88/06/57/720880657.db2.gz WLEHLHKFICLPFT-CUBQBAPOSA-N 1 1 471.605 4.419 20 0 JIADMO Cc1c[nH]c2nc(Cl)nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755937 720882057 /nfs/dbraw/zinc/88/20/57/720882057.db2.gz NMQMOQPKJIPYHC-NBGIEHNGSA-N 1 1 467.017 4.070 20 0 JIADMO Cc1cc(C(F)(F)N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(Cl)n1 ZINC001164757200 720882565 /nfs/dbraw/zinc/88/25/65/720882565.db2.gz UHSSROZWASTDOP-NZQKXSOJSA-N 1 1 477.987 4.133 20 0 JIADMO Clc1nc2ccccc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754466 720883954 /nfs/dbraw/zinc/88/39/54/720883954.db2.gz IZUJCAJDSQQTBL-RLWLMLJZSA-N 1 1 464.013 4.433 20 0 JIADMO CSc1nc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CCCC2 ZINC001164753318 720887658 /nfs/dbraw/zinc/88/76/58/720887658.db2.gz GLBPSFNLTTZZOY-AMGIVPHBSA-N 1 1 479.694 4.227 20 0 JIADMO CCc1cc2c(ncnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)s1 ZINC001164755411 720888449 /nfs/dbraw/zinc/88/84/49/720888449.db2.gz LYLWPHDRHSVMSF-HFZDXXHNSA-N 1 1 463.651 4.404 20 0 JIADMO c1ccc(COc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)cc1 ZINC001164751810 720889039 /nfs/dbraw/zinc/88/90/39/720889039.db2.gz DTKMUWXCYXQVBZ-UHSQPCAPSA-N 1 1 485.632 4.206 20 0 JIADMO COc1cccc2nc(Cl)nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c21 ZINC001164750968 720893957 /nfs/dbraw/zinc/89/39/57/720893957.db2.gz CITOTXZXTSATBB-ZBLYBZFDSA-N 1 1 494.039 4.442 20 0 JIADMO CCOc1ccc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750729 720894422 /nfs/dbraw/zinc/89/44/22/720894422.db2.gz BSJXASRWAKUSID-BWKNWUBXSA-N 1 1 457.018 4.284 20 0 JIADMO c1ccc(COc2cnnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)cc1 ZINC001164758470 720895010 /nfs/dbraw/zinc/89/50/10/720895010.db2.gz YISHVVZCINPZGW-WNJJXGMVSA-N 1 1 485.632 4.206 20 0 JIADMO Nc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164752531 720895172 /nfs/dbraw/zinc/89/51/72/720895172.db2.gz DXJTVKGHKDVNSA-CVDCTZTESA-N 1 1 477.987 4.012 20 0 JIADMO COc1ccc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164750940 720900550 /nfs/dbraw/zinc/90/05/50/720900550.db2.gz CGTJOKQKGIKQOR-YWEHKCAJSA-N 1 1 458.606 4.394 20 0 JIADMO c1ccc2c(c1)CCc1cnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc1-2 ZINC001164754395 720902666 /nfs/dbraw/zinc/90/26/66/720902666.db2.gz ITZZEKQSYKIDNI-FREGXXQWSA-N 1 1 481.644 4.392 20 0 JIADMO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(-c4ccncc4)cn2)C3)c1 ZINC001164750032 720908584 /nfs/dbraw/zinc/90/85/84/720908584.db2.gz IUWFYEWTFAFXHT-IAPPQJPRSA-N 1 1 455.606 4.294 20 0 JIADMO COc1ccccc1-c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164753139 720916123 /nfs/dbraw/zinc/91/61/23/720916123.db2.gz QJLXPHTWODAORC-FUFSCUOVSA-N 1 1 485.632 4.302 20 0 JIADMO Cc1nc(C2CC2)nc(Cl)c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753623 720917034 /nfs/dbraw/zinc/91/70/34/720917034.db2.gz RPWUEEREVIYCEU-NVQXNPDNSA-N 1 1 468.045 4.466 20 0 JIADMO Cc1nc(-c2ccncc2)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C ZINC001164755052 720922353 /nfs/dbraw/zinc/92/23/53/720922353.db2.gz XZIFKGKOUDXVLH-WNJJXGMVSA-N 1 1 484.648 4.306 20 0 JIADMO COC(=O)c1cccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc21 ZINC001164752300 720924968 /nfs/dbraw/zinc/92/49/68/720924968.db2.gz NVQSWABWSHVTEN-BTYSJIOQSA-N 1 1 486.616 4.172 20 0 JIADMO CC(C)c1c(Cl)ncnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747837 720930725 /nfs/dbraw/zinc/93/07/25/720930725.db2.gz DMXRNRHPUALKKI-BWKNWUBXSA-N 1 1 456.034 4.404 20 0 JIADMO Cc1cc2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2cc1C ZINC001164752888 720930783 /nfs/dbraw/zinc/93/07/83/720930783.db2.gz PFRIDRXZUFFYME-UFHPHHKVSA-N 1 1 457.622 4.397 20 0 JIADMO Fc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1-c1ccsc1 ZINC001164754695 720935423 /nfs/dbraw/zinc/93/54/23/720935423.db2.gz XLSWNUHPSVTLCQ-GJZUVCINSA-N 1 1 479.625 4.494 20 0 JIADMO COc1cc(C)c2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755071 720940214 /nfs/dbraw/zinc/94/02/14/720940214.db2.gz YDHKPHZTNMNZRX-LXFBAYGMSA-N 1 1 473.621 4.097 20 0 JIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(F)cc1C(=O)NCc1cccs1)[C@H]2C ZINC001164862755 720978512 /nfs/dbraw/zinc/97/85/12/720978512.db2.gz UHMLQJVHCDHKCH-HNNXBMFYSA-N 1 1 491.036 4.484 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2Cc3cncn3C[C@@H](COCC3CC3)C2)n1 ZINC001164755762 720980568 /nfs/dbraw/zinc/98/05/68/720980568.db2.gz BQCDJNIQWSQDKB-FQEVSTJZSA-N 1 1 468.671 4.409 20 0 JIADMO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866101 721063721 /nfs/dbraw/zinc/06/37/21/721063721.db2.gz CTYMLQHEPIJAEX-DLBZAZTESA-N 1 1 480.346 4.356 20 0 JIADMO Fc1ccc2nc(-c3ccccc3F)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164868170 721067657 /nfs/dbraw/zinc/06/76/57/721067657.db2.gz NKMMXBYWTVGCTL-SFTDATJTSA-N 1 1 473.527 4.450 20 0 JIADMO COc1ccc(-c2csc3ncnc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)c23)cc1 ZINC001164876473 721140654 /nfs/dbraw/zinc/14/06/54/721140654.db2.gz MRRZKYINERFEED-RBBKRZOGSA-N 1 1 473.602 4.242 20 0 JIADMO CCN1C(C)=N[C@@]2(CC[C@@H]3CN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@@H]32)C1=O ZINC001164873111 721232227 /nfs/dbraw/zinc/23/22/27/721232227.db2.gz PNMGCJVIQUSNGT-ZNFWPTJWSA-N 1 1 492.693 4.031 20 0 JIADMO CCN1C(=O)[C@]2(CC[C@H]3CN(c4nc(C[NH+](C)C)nc5scc(-c6ccccc6)c54)C[C@@H]32)N=C1C ZINC001164872544 721233181 /nfs/dbraw/zinc/23/31/81/721233181.db2.gz MTQJRBFHRZXPLR-BKCZMFJTSA-N 1 1 488.661 4.285 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Cl)nc(-c5ccc(F)c(Cl)c5)n4)C[C@H]3C2)cn1 ZINC001164760096 721233785 /nfs/dbraw/zinc/23/37/85/721233785.db2.gz CEVUOKKJABVTTD-IAGOWNOFSA-N 1 1 461.372 4.281 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4ccccc4Cl)C[C@@H]3C2)cn1 ZINC001164759741 721238002 /nfs/dbraw/zinc/23/80/02/721238002.db2.gz BFICLCGBBGXGCH-IRXDYDNUSA-N 1 1 459.381 4.268 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cnc(Cl)nc4Oc4ccc(Cl)cc4)C[C@@H]3C2)cn1 ZINC001164761956 721238540 /nfs/dbraw/zinc/23/85/40/721238540.db2.gz KWKXDTDLEDJHTG-IRXDYDNUSA-N 1 1 459.381 4.268 20 0 JIADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cnc(Cl)nc4Oc4cccc(Cl)c4)C[C@H]3C2)cn1 ZINC001164766256 721239186 /nfs/dbraw/zinc/23/91/86/721239186.db2.gz UFMGPZHBVKJKBJ-IAGOWNOFSA-N 1 1 459.381 4.268 20 0 JIADMO O=C(c1ccsc1)N1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164879185 721295748 /nfs/dbraw/zinc/29/57/48/721295748.db2.gz WKRCGCOTTLLMJQ-JYFHCDHNSA-N 1 1 488.657 4.069 20 0 JIADMO c1ccc(C[N@H+]2CCc3nc(N4CCO[C@@H]5C[C@H](COc6ccccn6)C[C@H]54)ccc3C2)cc1 ZINC001164881024 721312150 /nfs/dbraw/zinc/31/21/50/721312150.db2.gz UCDJXNZOAKNYBN-DNRSQYFGSA-N 1 1 456.590 4.098 20 0 JIADMO Cc1nc(COC[C@@H]2Cn3nccc3CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C2)cs1 ZINC001164876745 721331891 /nfs/dbraw/zinc/33/18/91/721331891.db2.gz PYCIOSUUKYQZOT-SFHVURJKSA-N 1 1 473.046 4.145 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3F)C2)C1 ZINC001164775778 721334119 /nfs/dbraw/zinc/33/41/19/721334119.db2.gz ADHUCDOVLLRZEE-FQEVSTJZSA-N 1 1 458.912 4.143 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3F)C2)C1 ZINC001164775778 721334124 /nfs/dbraw/zinc/33/41/24/721334124.db2.gz ADHUCDOVLLRZEE-FQEVSTJZSA-N 1 1 458.912 4.143 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)ncc3Cl)C2)C1 ZINC001164777867 721341556 /nfs/dbraw/zinc/34/15/56/721341556.db2.gz JTEDUOTUGHXDTL-LJQANCHMSA-N 1 1 476.355 4.052 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)ncc3Cl)C2)C1 ZINC001164777867 721341561 /nfs/dbraw/zinc/34/15/61/721341561.db2.gz JTEDUOTUGHXDTL-LJQANCHMSA-N 1 1 476.355 4.052 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc(Cc4ccccc4)n3)C2)C1 ZINC001164779043 721346609 /nfs/dbraw/zinc/34/66/09/721346609.db2.gz PLPUITBJJXFZOS-SANMLTNESA-N 1 1 482.028 4.445 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc(Cc4ccccc4)n3)C2)C1 ZINC001164779043 721346612 /nfs/dbraw/zinc/34/66/12/721346612.db2.gz PLPUITBJJXFZOS-SANMLTNESA-N 1 1 482.028 4.445 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc4c(F)cccc43)C2)C1 ZINC001164779256 721347207 /nfs/dbraw/zinc/34/72/07/721347207.db2.gz RWNDGAGSTBQUGL-QHCPKHFHSA-N 1 1 459.953 4.146 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CCCCC4)C2)C1 ZINC001164779079 721348686 /nfs/dbraw/zinc/34/86/86/721348686.db2.gz QIFUDMNUCPLEGU-XMMPIXPASA-N 1 1 460.022 4.123 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4c3CCCCC4)C2)C1 ZINC001164779079 721348688 /nfs/dbraw/zinc/34/86/88/721348688.db2.gz QIFUDMNUCPLEGU-XMMPIXPASA-N 1 1 460.022 4.123 20 0 JIADMO COc1ccc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc1Cl ZINC001164777857 721354513 /nfs/dbraw/zinc/35/45/13/721354513.db2.gz JIHWJTKDLWZEQK-OAQYLSRUSA-N 1 1 470.948 4.012 20 0 JIADMO COc1ccc(C(F)(F)N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc1Cl ZINC001164777857 721354516 /nfs/dbraw/zinc/35/45/16/721354516.db2.gz JIHWJTKDLWZEQK-OAQYLSRUSA-N 1 1 470.948 4.012 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(C)c(C)c(Cl)n3)C2)C1 ZINC001164780078 721357370 /nfs/dbraw/zinc/35/73/70/721357370.db2.gz DDFCYZTUIQFWCP-NRFANRHFSA-N 1 1 469.964 4.016 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(C)c(C)c(Cl)n3)C2)C1 ZINC001164780078 721357375 /nfs/dbraw/zinc/35/73/75/721357375.db2.gz DDFCYZTUIQFWCP-NRFANRHFSA-N 1 1 469.964 4.016 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C2)C1 ZINC001164786028 721367198 /nfs/dbraw/zinc/36/71/98/721367198.db2.gz USSWAINRMZJVPA-QFIPXVFZSA-N 1 1 481.975 4.276 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C2)C1 ZINC001164786028 721367201 /nfs/dbraw/zinc/36/72/01/721367201.db2.gz USSWAINRMZJVPA-QFIPXVFZSA-N 1 1 481.975 4.276 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccsc4)n3)C2)C1 ZINC001164784256 721369992 /nfs/dbraw/zinc/36/99/92/721369992.db2.gz RAQPLQCTKNQXJK-XMMPIXPASA-N 1 1 453.612 4.237 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(SCc4ccccc4)n3)C2)C1 ZINC001164784184 721371604 /nfs/dbraw/zinc/37/16/04/721371604.db2.gz QRTFOOZQPOYFMF-SANMLTNESA-N 1 1 479.650 4.493 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(SCc4ccccc4)n3)C2)C1 ZINC001164784184 721371612 /nfs/dbraw/zinc/37/16/12/721371612.db2.gz QRTFOOZQPOYFMF-SANMLTNESA-N 1 1 479.650 4.493 20 0 JIADMO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164783909 721409933 /nfs/dbraw/zinc/40/99/33/721409933.db2.gz JISSWLWVKLPHPX-IYBDPMFKSA-N 1 1 457.962 4.151 20 0 JIADMO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164783909 721409934 /nfs/dbraw/zinc/40/99/34/721409934.db2.gz JISSWLWVKLPHPX-IYBDPMFKSA-N 1 1 457.962 4.151 20 0 JIADMO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164791102 721426710 /nfs/dbraw/zinc/42/67/10/721426710.db2.gz ZQIURYZGLPVUHS-KDURUIRLSA-N 1 1 468.696 4.319 20 0 JIADMO Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164791102 721426712 /nfs/dbraw/zinc/42/67/12/721426712.db2.gz ZQIURYZGLPVUHS-KDURUIRLSA-N 1 1 468.696 4.319 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc(OCc5ccccc5)cc4Cl)C3)O2)CC1 ZINC001164894890 721428492 /nfs/dbraw/zinc/42/84/92/721428492.db2.gz MZRGFCJQTSIDEZ-ATIYNZHBSA-N 1 1 471.045 4.079 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(OCc5ccccc5)cc4Cl)C3)O2)CC1 ZINC001164894895 721428640 /nfs/dbraw/zinc/42/86/40/721428640.db2.gz MZRGFCJQTSIDEZ-NVQXNPDNSA-N 1 1 471.045 4.079 20 0 JIADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164787371 721432754 /nfs/dbraw/zinc/43/27/54/721432754.db2.gz QMTNNCXIFIQSAA-KDURUIRLSA-N 1 1 476.675 4.445 20 0 JIADMO CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164787371 721432757 /nfs/dbraw/zinc/43/27/57/721432757.db2.gz QMTNNCXIFIQSAA-KDURUIRLSA-N 1 1 476.675 4.445 20 0 JIADMO Cc1nc2sc3c(c2c(N2CC[C@@]4(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O4)n1)CCCCC3 ZINC001164891598 721435901 /nfs/dbraw/zinc/43/59/01/721435901.db2.gz HHHHFICLXLOFGH-RXFWQSSRSA-N 1 1 469.699 4.034 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5cccc6ccccc65)nn4)C3)O2)CC1 ZINC001164897697 721441108 /nfs/dbraw/zinc/44/11/08/721441108.db2.gz ULFGWRAGAHQOGV-NEKDWFFYSA-N 1 1 457.622 4.062 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C3)O2)CC1 ZINC001164898794 721442068 /nfs/dbraw/zinc/44/20/68/721442068.db2.gz XHFAUPOCWRZORY-NFBKMPQASA-N 1 1 464.988 4.199 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)C3)O2)CC1 ZINC001164895768 721443717 /nfs/dbraw/zinc/44/37/17/721443717.db2.gz PHXLHWQZEFCRNH-QPPBQGQZSA-N 1 1 492.014 4.107 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4cccc(Cl)c4)C3)O2)CC1 ZINC001164889852 721450449 /nfs/dbraw/zinc/45/04/49/721450449.db2.gz PNXOTGDZLSSPQJ-HYBUGGRVSA-N 1 1 492.451 4.341 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)c3ccsc31)CC2 ZINC001164790585 721454644 /nfs/dbraw/zinc/45/46/44/721454644.db2.gz ZVWGNKIBDSRODC-KRWDZBQOSA-N 1 1 451.036 4.079 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(=O)Nc3ccccc3)ccn1)CC2 ZINC001164788594 721460471 /nfs/dbraw/zinc/46/04/71/721460471.db2.gz ULYATERPZDRVQR-RUZDIDTESA-N 1 1 478.637 4.068 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(C)cc(Cl)n1)CC2 ZINC001164782394 721461766 /nfs/dbraw/zinc/46/17/66/721461766.db2.gz AOWYQZXDPMCDSM-IBGZPJMESA-N 1 1 457.993 4.322 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)c3ccc(OC)cc3n1)CC2 ZINC001164784815 721462368 /nfs/dbraw/zinc/46/23/68/721462368.db2.gz KKXCEEWNJKQXCF-JOCHJYFZSA-N 1 1 453.627 4.286 20 0 JIADMO CC(C)C(=O)N1CC[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)CC[C@@H]21 ZINC001164894167 721465477 /nfs/dbraw/zinc/46/54/77/721465477.db2.gz VVXIJKQITDCPGA-ICSRJNTNSA-N 1 1 467.683 4.249 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3ccc(C(C)C)cc31)CC2 ZINC001164788824 721467420 /nfs/dbraw/zinc/46/74/20/721467420.db2.gz LOWZIKYPKJOYFE-HSZRJFAPSA-N 1 1 452.643 4.487 20 0 JIADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(=O)OCc3ccccc3)cn1)CC2 ZINC001164789886 721468654 /nfs/dbraw/zinc/46/86/54/721468654.db2.gz OYMHAAJFRFMCAU-AREMUKBSSA-N 1 1 493.648 4.173 20 0 JIADMO CCOc1ccc(-c2ccc(N3CCC4(C[C@@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)nn2)cc1 ZINC001164787990 721469604 /nfs/dbraw/zinc/46/96/04/721469604.db2.gz HKMVNZCTTOYQRA-DEOSSOPVSA-N 1 1 480.653 4.276 20 0 JIADMO CCOC[C@H]1CN(c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)Cc2cnn(C)c21 ZINC001164792809 721477547 /nfs/dbraw/zinc/47/75/47/721477547.db2.gz PTAUCDVBDLWQJS-LJQANCHMSA-N 1 1 480.682 4.286 20 0 JIADMO CCOC[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)Cc2cnn(C)c21 ZINC001164793282 721477703 /nfs/dbraw/zinc/47/77/03/721477703.db2.gz UCRNONJONONNHN-SFHVURJKSA-N 1 1 466.655 4.040 20 0 JIADMO CCOC[C@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)Cc2cnn(C)c21 ZINC001164792127 721477709 /nfs/dbraw/zinc/47/77/09/721477709.db2.gz LWUDLHCQWDSACP-LJQANCHMSA-N 1 1 480.682 4.430 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(C[C@H](C(=O)NC5CCC5)CO4)CC3)c2c1C ZINC001164896398 721490051 /nfs/dbraw/zinc/49/00/51/721490051.db2.gz BABJUEOIGSECJD-FQEVSTJZSA-N 1 1 497.709 4.338 20 0 JIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CC2 ZINC001164792316 721497106 /nfs/dbraw/zinc/49/71/06/721497106.db2.gz OEKQIQZJXFLUGL-UHFFFAOYSA-N 1 1 458.944 4.499 20 0 JIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)CC[N@H+]3C2)c1 ZINC001164900302 721523792 /nfs/dbraw/zinc/52/37/92/721523792.db2.gz PYDFQUVJIQEOHC-PZJWPPBQSA-N 1 1 478.959 4.009 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ncc(Cl)nc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164809575 721538015 /nfs/dbraw/zinc/53/80/15/721538015.db2.gz VLRDZIATIRGSTD-KCZVDYSFSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ncc(Cl)nc3c2)[C@@H]2CCCO[C@@H]12 ZINC001164809575 721538016 /nfs/dbraw/zinc/53/80/16/721538016.db2.gz VLRDZIATIRGSTD-KCZVDYSFSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)[C@H]2CCCO[C@@H]12 ZINC001164799095 721551663 /nfs/dbraw/zinc/55/16/63/721551663.db2.gz ASGRFVHFRMGERC-XUVXKRRUSA-N 1 1 477.918 4.230 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)[C@H]2CCCO[C@@H]12 ZINC001164799095 721551667 /nfs/dbraw/zinc/55/16/67/721551667.db2.gz ASGRFVHFRMGERC-XUVXKRRUSA-N 1 1 477.918 4.230 20 0 JIADMO Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)CC[N@H+]3C2)c1 ZINC001164905928 721552013 /nfs/dbraw/zinc/55/20/13/721552013.db2.gz IBHWMZNMIPQUJF-PKOBYXMFSA-N 1 1 475.902 4.218 20 0 JIADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c12 ZINC001164802594 721577687 /nfs/dbraw/zinc/57/76/87/721577687.db2.gz GZRYSVJUZVMZCM-CMTIAEDTSA-N 1 1 482.632 4.360 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3nc(-c4cccs4)no3)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164811871 721584955 /nfs/dbraw/zinc/58/49/55/721584955.db2.gz YTVGEGJJJQTEBQ-MIZPHKNDSA-N 1 1 474.590 4.123 20 0 JIADMO FC1(F)CCN(c2nnc(Cl)cc2-c2ccncc2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164903666 721587012 /nfs/dbraw/zinc/58/70/12/721587012.db2.gz BGFZWYMDKMBMQI-JOCHJYFZSA-N 1 1 456.928 4.325 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccncc3)nc3sccc32)[C@@H]2CCCO[C@@H]12 ZINC001164810167 721587157 /nfs/dbraw/zinc/58/71/57/721587157.db2.gz UXBKPUWGUZSHNG-YPAWHYETSA-N 1 1 458.591 4.017 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccncc3)nc3sccc32)[C@@H]2CCCO[C@@H]12 ZINC001164810167 721587160 /nfs/dbraw/zinc/58/71/60/721587160.db2.gz UXBKPUWGUZSHNG-YPAWHYETSA-N 1 1 458.591 4.017 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(OCc4ccccc4)ccc32)[C@@H]2CCCO[C@H]12 ZINC001164810792 721588919 /nfs/dbraw/zinc/58/89/19/721588919.db2.gz WEWFUKKYASYGAN-FCEKVYKBSA-N 1 1 481.600 4.472 20 0 JIADMO COc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164810121 721590178 /nfs/dbraw/zinc/59/01/78/721590178.db2.gz ULMXYYMDCDEFBU-AKIFATBCSA-N 1 1 481.984 4.194 20 0 JIADMO COc1cccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164810121 721590180 /nfs/dbraw/zinc/59/01/80/721590180.db2.gz ULMXYYMDCDEFBU-AKIFATBCSA-N 1 1 481.984 4.194 20 0 JIADMO COc1cc2c(cc1F)cc(Cl)nc2N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164810148 721592185 /nfs/dbraw/zinc/59/21/85/721592185.db2.gz UPNRCTGWYNKRPY-ZRCGQRJVSA-N 1 1 456.949 4.299 20 0 JIADMO CC(C)NC(=O)C[C@H]1CC2(CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC2)Oc2ccccc21 ZINC001164804283 721593525 /nfs/dbraw/zinc/59/35/25/721593525.db2.gz YEYXUDQXIUBCLK-QFIPXVFZSA-N 1 1 462.638 4.496 20 0 JIADMO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905629 721710024 /nfs/dbraw/zinc/71/00/24/721710024.db2.gz ICJGPCJFIJHHEV-FQEVSTJZSA-N 1 1 486.350 4.093 20 0 JIADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164906637 721720524 /nfs/dbraw/zinc/72/05/24/721720524.db2.gz NLOJOODNSVLIOM-FQEVSTJZSA-N 1 1 486.897 4.199 20 0 JIADMO CC(C)(C)OC(=O)Nc1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c2[nH]cnc21 ZINC001164906227 721721233 /nfs/dbraw/zinc/72/12/33/721721233.db2.gz LFCDNYORICTKJT-XMMPIXPASA-N 1 1 499.566 4.438 20 0 JIADMO CC(C)(C)OC(=O)Nc1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c2[nH]cnc21 ZINC001164906226 721722115 /nfs/dbraw/zinc/72/21/15/721722115.db2.gz LFCDNYORICTKJT-DEOSSOPVSA-N 1 1 499.566 4.438 20 0 JIADMO COC(=O)c1cc2ccccc2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912617 721727262 /nfs/dbraw/zinc/72/72/62/721727262.db2.gz OWPWQRAKBRJPSD-XMMPIXPASA-N 1 1 452.505 4.154 20 0 JIADMO NC(=S)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c2sccc21 ZINC001164909763 721738296 /nfs/dbraw/zinc/73/82/96/721738296.db2.gz DJRPLRCMYCSISF-OAQYLSRUSA-N 1 1 459.591 4.063 20 0 JIADMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)CC1 ZINC001165012436 721748880 /nfs/dbraw/zinc/74/88/80/721748880.db2.gz HTVQWPDEPRFWDN-UHFFFAOYSA-N 1 1 478.971 4.350 20 0 JIADMO Cc1ccc(-c2csc3ncnc(N4CCO[C@]5(C4)COCC[N@H+](Cc4cccnc4)C5)c23)cc1 ZINC001164910247 721778650 /nfs/dbraw/zinc/77/86/50/721778650.db2.gz AXWPUXGXDBEVBS-HHHXNRCGSA-N 1 1 487.629 4.170 20 0 JIADMO Cc1ccc(-c2csc3ncnc(N4CCO[C@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)c23)cc1 ZINC001164910247 721778654 /nfs/dbraw/zinc/77/86/54/721778654.db2.gz AXWPUXGXDBEVBS-HHHXNRCGSA-N 1 1 487.629 4.170 20 0 JIADMO Cc1ccc(-c2nnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c3ccccc32)cc1 ZINC001164913988 721793440 /nfs/dbraw/zinc/79/34/40/721793440.db2.gz JPPACYNJJCSHLK-GDLZYMKVSA-N 1 1 481.600 4.108 20 0 JIADMO Cc1ccc(-c2nnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c3ccccc32)cc1 ZINC001164913988 721793442 /nfs/dbraw/zinc/79/34/42/721793442.db2.gz JPPACYNJJCSHLK-GDLZYMKVSA-N 1 1 481.600 4.108 20 0 JIADMO Cc1sc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1-c1ccccc1 ZINC001164914951 721794767 /nfs/dbraw/zinc/79/47/67/721794767.db2.gz RYLYNJPGZQBWGX-MHZLTWQESA-N 1 1 487.629 4.170 20 0 JIADMO Cc1sc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1-c1ccccc1 ZINC001164914951 721794770 /nfs/dbraw/zinc/79/47/70/721794770.db2.gz RYLYNJPGZQBWGX-MHZLTWQESA-N 1 1 487.629 4.170 20 0 JIADMO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165027211 721799717 /nfs/dbraw/zinc/79/97/17/721799717.db2.gz UIHNRCUBNQOJSD-BVSLBCMMSA-N 1 1 484.604 4.191 20 0 JIADMO COC(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cnc1Cl ZINC001165017890 721807757 /nfs/dbraw/zinc/80/77/57/721807757.db2.gz BBWFOAIMCGNOEE-BEVDRBHNSA-N 1 1 464.944 4.198 20 0 JIADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024906 721809257 /nfs/dbraw/zinc/80/92/57/721809257.db2.gz LBVUPJWJFIZHRC-CVAIRZPRSA-N 1 1 464.944 4.198 20 0 JIADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024908 721809338 /nfs/dbraw/zinc/80/93/38/721809338.db2.gz LBVUPJWJFIZHRC-QSFXBCCZSA-N 1 1 464.944 4.198 20 0 JIADMO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020723 721810631 /nfs/dbraw/zinc/81/06/31/721810631.db2.gz CTJFCENGZLWNDT-IEZWGBDMSA-N 1 1 464.944 4.198 20 0 JIADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027376 721811954 /nfs/dbraw/zinc/81/19/54/721811954.db2.gz UKYWKWBHJOAJDZ-SZMVWBNQSA-N 1 1 476.046 4.161 20 0 JIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4c3ncn4Cc3ccccc3F)C[C@H]21 ZINC001165018756 721816556 /nfs/dbraw/zinc/81/65/56/721816556.db2.gz AABYGBDWEZWXPN-BPUDTRNYSA-N 1 1 471.584 4.146 20 0 JIADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026140 721821167 /nfs/dbraw/zinc/82/11/67/721821167.db2.gz OFWCUYJWTFSIRI-CVAIRZPRSA-N 1 1 464.944 4.198 20 0 JIADMO COc1ccc(Cn2cc3[nH]c(N4C[C@@H]5CCC[C@@H]([N@@H+](C)Cc6ccccn6)[C@@H]5C4)ccc-3c2=O)cc1 ZINC001165025782 721822135 /nfs/dbraw/zinc/82/21/35/721822135.db2.gz NYYULBBSWZLJRN-QBMXVRPASA-N 1 1 497.643 4.378 20 0 JIADMO CCOC(=O)C1(F)CCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC001165017275 721834851 /nfs/dbraw/zinc/83/48/51/721834851.db2.gz JVGJLKYHDWUEAI-INIZCTEOSA-N 1 1 460.619 4.284 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)n1 ZINC001164925686 721836652 /nfs/dbraw/zinc/83/66/52/721836652.db2.gz PHOIRVQZUZXBDN-RXFWQSSRSA-N 1 1 495.697 4.204 20 0 JIADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165022486 721840326 /nfs/dbraw/zinc/84/03/26/721840326.db2.gz UCVCOJOCWIUJLN-UHFFFAOYSA-N 1 1 483.943 4.185 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2ncc(F)cn2)C3)nc1 ZINC001164922817 721846457 /nfs/dbraw/zinc/84/64/57/721846457.db2.gz RJWRMJROHYJGOE-JYFHCDHNSA-N 1 1 468.621 4.071 20 0 JIADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)n2)cc1 ZINC001164927414 721868325 /nfs/dbraw/zinc/86/83/25/721868325.db2.gz VEQUWFALXLWKLH-GOTSBHOMSA-N 1 1 452.002 4.173 20 0 JIADMO COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)n2)cc1 ZINC001164927414 721868328 /nfs/dbraw/zinc/86/83/28/721868328.db2.gz VEQUWFALXLWKLH-GOTSBHOMSA-N 1 1 452.002 4.173 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H](CC(=O)NC4CCC4)OC[C@@H]3C2)n1 ZINC001164929938 721897068 /nfs/dbraw/zinc/89/70/68/721897068.db2.gz ARKKSKJCKQBABS-TYPHKJRUSA-N 1 1 485.698 4.050 20 0 JIADMO CCOC(=O)c1sc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c2c1C ZINC001164938792 721920411 /nfs/dbraw/zinc/92/04/11/721920411.db2.gz RHPPIDPGDNRWPA-UHFFFAOYSA-N 1 1 480.634 4.356 20 0 JIADMO COCc1cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc(-c2ccccc2)n1 ZINC001164938137 721920830 /nfs/dbraw/zinc/92/08/30/721920830.db2.gz IPBPKEFSWPSTIK-UHFFFAOYSA-N 1 1 458.606 4.470 20 0 JIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4ccc5ncnc(Cl)c5n4)CC3)C2)cc1 ZINC001164940592 721928398 /nfs/dbraw/zinc/92/83/98/721928398.db2.gz UPCAPWNDJPMAHV-UHFFFAOYSA-N 1 1 473.955 4.403 20 0 JIADMO CCOC(=O)c1cnc(C(F)(F)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)nc1Cl ZINC001165045163 721939494 /nfs/dbraw/zinc/93/94/94/721939494.db2.gz WPNQUYQUUZBXHU-UHFFFAOYSA-N 1 1 482.318 4.380 20 0 JIADMO CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@@H]2c2cccnc2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165045933 721963132 /nfs/dbraw/zinc/96/31/32/721963132.db2.gz DQKYVUFLVJOGOB-WMZHIEFXSA-N 1 1 451.615 4.007 20 0 JIADMO CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@@H]2c2cccnc2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165045933 721963134 /nfs/dbraw/zinc/96/31/34/721963134.db2.gz DQKYVUFLVJOGOB-WMZHIEFXSA-N 1 1 451.615 4.007 20 0 JIADMO CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@@H]2c2cccnc2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165045931 721963375 /nfs/dbraw/zinc/96/33/75/721963375.db2.gz DQKYVUFLVJOGOB-AUSIDOKSSA-N 1 1 451.615 4.007 20 0 JIADMO CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@@H]2c2cccnc2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165045931 721963377 /nfs/dbraw/zinc/96/33/77/721963377.db2.gz DQKYVUFLVJOGOB-AUSIDOKSSA-N 1 1 451.615 4.007 20 0 JIADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)CC2 ZINC001164949866 721980979 /nfs/dbraw/zinc/98/09/79/721980979.db2.gz QUVWLRQSZXUSAM-UHFFFAOYSA-N 1 1 471.939 4.192 20 0 JIADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(C(F)F)nc3ccc(Cl)cc31)CC2 ZINC001164949866 721980981 /nfs/dbraw/zinc/98/09/81/721980981.db2.gz QUVWLRQSZXUSAM-UHFFFAOYSA-N 1 1 471.939 4.192 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)n1 ZINC001164962586 722034742 /nfs/dbraw/zinc/03/47/42/722034742.db2.gz XVLYXOVGBDHNOX-FNZWTVRRSA-N 1 1 478.666 4.078 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)c2c1C ZINC001164958645 722048292 /nfs/dbraw/zinc/04/82/92/722048292.db2.gz PBBWQCRGKONPDR-RTBURBONSA-N 1 1 465.623 4.238 20 0 JIADMO FC(F)(c1cc(Cl)cnc1Cl)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959453 722052978 /nfs/dbraw/zinc/05/29/78/722052978.db2.gz JVDAFGBSOLGUQA-UHFFFAOYSA-N 1 1 457.352 4.447 20 0 JIADMO Fc1cccc2c(Cl)nc(C(F)(F)N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc12 ZINC001164960514 722054018 /nfs/dbraw/zinc/05/40/18/722054018.db2.gz QTXMVJUUPNNIGH-UHFFFAOYSA-N 1 1 491.945 4.481 20 0 JIADMO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963123 722057335 /nfs/dbraw/zinc/05/73/35/722057335.db2.gz HJIPJQIQWSHORE-UHFFFAOYSA-N 1 1 473.017 4.204 20 0 JIADMO c1ccc(CSc2cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ncn2)cc1 ZINC001164960683 722061164 /nfs/dbraw/zinc/06/11/64/722061164.db2.gz HOIDEGGDGRQQGP-UHFFFAOYSA-N 1 1 461.635 4.283 20 0 JIADMO Cc1cncc(COCc2cnc3n2CCN(c2ncnc4c2CC[N@H+](Cc2ccccc2)C4)[C@H]3C)c1 ZINC001164963580 722063035 /nfs/dbraw/zinc/06/30/35/722063035.db2.gz BLWUJMCXDIXUQO-QFIPXVFZSA-N 1 1 495.631 4.233 20 0 JIADMO Cc1cncc(COCc2cnc3n2CCN(c2ncnc4c2CC[N@@H+](Cc2ccccc2)C4)[C@H]3C)c1 ZINC001164963580 722063036 /nfs/dbraw/zinc/06/30/36/722063036.db2.gz BLWUJMCXDIXUQO-QFIPXVFZSA-N 1 1 495.631 4.233 20 0 JIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3[C@H]2CCN3C(=O)c2cscn2)n1 ZINC001164966875 722065513 /nfs/dbraw/zinc/06/55/13/722065513.db2.gz YBVIYQAMZBZYTA-WOJBJXKFSA-N 1 1 490.658 4.370 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C(=O)N(Cc4cccc(F)c4)CCO[C@@H]3C2)nc1 ZINC001164970089 722082500 /nfs/dbraw/zinc/08/25/00/722082500.db2.gz UPOMDAOJAVAJIZ-JIMJEQGWSA-N 1 1 480.628 4.412 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4C[C@@H](C(=O)NC5CCC5)C[C@@H]4C3)c2c1C ZINC001164976725 722085493 /nfs/dbraw/zinc/08/54/93/722085493.db2.gz WGCBMHGMFNAMCC-REPLKXPHSA-N 1 1 453.656 4.035 20 0 JIADMO O=C(NC1CCC1)[C@@H]1C[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)C[C@H]2C1 ZINC001164969804 722085518 /nfs/dbraw/zinc/08/55/18/722085518.db2.gz ADYVIVKVQIYTHI-REPLKXPHSA-N 1 1 479.694 4.297 20 0 JIADMO CSc1ccc(Oc2cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164981774 722135115 /nfs/dbraw/zinc/13/51/15/722135115.db2.gz QKNAOCYVMZTWHK-NZQKXSOJSA-N 1 1 463.607 4.113 20 0 JIADMO c1ccc(Cc2nnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c3ccccc23)cc1 ZINC001164978890 722138255 /nfs/dbraw/zinc/13/82/55/722138255.db2.gz KKQJUMLUYPGULV-CUBQBAPOSA-N 1 1 465.601 4.343 20 0 JIADMO Cc1nc2sc3c(c2c(N2CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C2)n1)CCCCC3 ZINC001164982176 722142437 /nfs/dbraw/zinc/14/24/37/722142437.db2.gz RHGYWQRESKCATA-IFMALSPDSA-N 1 1 463.651 4.391 20 0 JIADMO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983774 722143028 /nfs/dbraw/zinc/14/30/28/722143028.db2.gz UUMFZCKIEFYKJW-REWPJTCUSA-N 1 1 485.966 4.464 20 0 JIADMO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982576 722144108 /nfs/dbraw/zinc/14/41/08/722144108.db2.gz RQWOZFUQLNAKHP-OFNKIYASSA-N 1 1 485.966 4.464 20 0 JIADMO Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164972212 722152487 /nfs/dbraw/zinc/15/24/87/722152487.db2.gz GYDLATTYHWQSPO-BVAGGSTKSA-N 1 1 478.040 4.460 20 0 JIADMO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973815 722152526 /nfs/dbraw/zinc/15/25/26/722152526.db2.gz MGIGTCHWXTXMRX-RDJZCZTQSA-N 1 1 476.877 4.421 20 0 JIADMO Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164972213 722152859 /nfs/dbraw/zinc/15/28/59/722152859.db2.gz GYDLATTYHWQSPO-JYFHCDHNSA-N 1 1 478.040 4.460 20 0 JIADMO Clc1ncc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Oc2ccccc2)n1 ZINC001164972248 722154821 /nfs/dbraw/zinc/15/48/21/722154821.db2.gz HOSDHGIHLYVRCR-SIKLNZKXSA-N 1 1 451.958 4.045 20 0 JIADMO CN1c2ccccc2[C@]2(CCN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C2)C1=O ZINC001164979427 722162545 /nfs/dbraw/zinc/16/25/45/722162545.db2.gz KNJVDHHLSXSSLC-HHHXNRCGSA-N 1 1 473.646 4.290 20 0 JIADMO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]cnc5c4ccn5Cc4cccc(F)c4)CC[C@H]32)cs1 ZINC001164988019 722183060 /nfs/dbraw/zinc/18/30/60/722183060.db2.gz JEIQNBCMULPANP-DNQXCXABSA-N 1 1 492.624 4.253 20 0 JIADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994819 722198001 /nfs/dbraw/zinc/19/80/01/722198001.db2.gz PZCFFFBZIADBGN-NRFANRHFSA-N 1 1 453.892 4.451 20 0 JIADMO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994819 722198003 /nfs/dbraw/zinc/19/80/03/722198003.db2.gz PZCFFFBZIADBGN-NRFANRHFSA-N 1 1 453.892 4.451 20 0 JIADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995880 722202334 /nfs/dbraw/zinc/20/23/34/722202334.db2.gz PQFZFJSFINFAJQ-NRFANRHFSA-N 1 1 453.892 4.451 20 0 JIADMO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164995880 722202340 /nfs/dbraw/zinc/20/23/40/722202340.db2.gz PQFZFJSFINFAJQ-NRFANRHFSA-N 1 1 453.892 4.451 20 0 JIADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4cc(-c5ccc(Cl)cc5)sc42)CC3)CC1 ZINC001165002656 722237372 /nfs/dbraw/zinc/23/73/72/722237372.db2.gz WSHVPPAMEVEPOX-UHFFFAOYSA-N 1 1 492.052 4.159 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1 ZINC001165000141 722249885 /nfs/dbraw/zinc/24/98/85/722249885.db2.gz DXTCVSGNFPKYJF-ATIYNZHBSA-N 1 1 452.599 4.123 20 0 JIADMO COc1ccccc1OCc1nnc(N2CCCC[C@H](SC)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001300651219 1069334576 /nfs/dbraw/zinc/33/45/76/1069334576.db2.gz UIHMRRZFFCNCFP-QUCCMNQESA-N 1 1 459.660 4.070 20 0 JIADMO COc1ccccc1SCc1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCOC(C)(C)C ZINC001300670741 1069403466 /nfs/dbraw/zinc/40/34/66/1069403466.db2.gz WVONEURIFYCTOH-MOPGFXCFSA-N 1 1 459.660 4.067 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCC(F)(F)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001300677555 1069432050 /nfs/dbraw/zinc/43/20/50/1069432050.db2.gz YROIBWUGMMBMIN-IBGZPJMESA-N 1 1 495.640 4.171 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(COc3cccc(C)c3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359354791 1069441055 /nfs/dbraw/zinc/44/10/55/1069441055.db2.gz ZLUBUITVJCWAJP-HSZRJFAPSA-N 1 1 496.700 4.267 20 0 JIADMO CC(=O)N(C)C1CCN(c2nnc(COc3cccc(C)c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359354792 1069441130 /nfs/dbraw/zinc/44/11/30/1069441130.db2.gz ZLUBUITVJCWAJP-QHCPKHFHSA-N 1 1 496.700 4.267 20 0 JIADMO CC(=O)N1CCC[C@@H](Cn2c(CSc3ccc(C)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001359372501 1069474964 /nfs/dbraw/zinc/47/49/64/1069474964.db2.gz FXKYTMKYWSIIFT-HSZRJFAPSA-N 1 1 484.714 4.058 20 0 JIADMO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(Cc4ccccc4F)n3CCCC(C)(C)C)C[C@H]2C)CC1 ZINC001359380437 1069485139 /nfs/dbraw/zinc/48/51/39/1069485139.db2.gz LVEIGTFCUBNZRC-BWKNWUBXSA-N 1 1 498.691 4.213 20 0 JIADMO CC(=O)N1CCN(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2CC[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001359383026 1069487657 /nfs/dbraw/zinc/48/76/57/1069487657.db2.gz RIXVBTYWQYADEF-PMACEKPBSA-N 1 1 491.080 4.086 20 0 JIADMO CC(C)=CCCn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001359399583 1069505737 /nfs/dbraw/zinc/50/57/37/1069505737.db2.gz SJHPCBSGOPEXAB-JPYJTQIMSA-N 1 1 489.039 4.083 20 0 JIADMO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001359397594 1069503817 /nfs/dbraw/zinc/50/38/17/1069503817.db2.gz FRUWOJZLCXPHJV-ISKFKSNPSA-N 1 1 498.741 4.304 20 0 JIADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CC(C)(C)C(C)C)C[C@@H]2C)CC1 ZINC001359399994 1069505683 /nfs/dbraw/zinc/50/56/83/1069505683.db2.gz YZHXRWKJPPYONL-CVDCTZTESA-N 1 1 487.092 4.270 20 0 JIADMO CC(=O)NC1CCC(N(C)c2nnc(CC(C)C)n2Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC001359413705 1069535497 /nfs/dbraw/zinc/53/54/97/1069535497.db2.gz JJYNRBLHJSXUDP-UHFFFAOYSA-N 1 1 481.620 4.042 20 0 JIADMO CC(=O)N[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001359423659 1069547991 /nfs/dbraw/zinc/54/79/91/1069547991.db2.gz NZXNHWUQZJSCFG-RDGATRHJSA-N 1 1 480.701 4.069 20 0 JIADMO CC(=O)NC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359430246 1069555025 /nfs/dbraw/zinc/55/50/25/1069555025.db2.gz NPHBBLAVAMVXIB-HSZRJFAPSA-N 1 1 496.700 4.233 20 0 JIADMO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001359433503 1069561130 /nfs/dbraw/zinc/56/11/30/1069561130.db2.gz JQMBZGZJRJEAMY-WBVHZDCISA-N 1 1 479.456 4.087 20 0 JIADMO CC(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC001359435802 1069563436 /nfs/dbraw/zinc/56/34/36/1069563436.db2.gz DMRQJCLXJIJGLP-JOCHJYFZSA-N 1 1 480.701 4.056 20 0 JIADMO CC(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359456949 1069582311 /nfs/dbraw/zinc/58/23/11/1069582311.db2.gz RULWYPMJJLTFKC-FQEVSTJZSA-N 1 1 470.637 4.091 20 0 JIADMO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C2CCC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359464622 1069592980 /nfs/dbraw/zinc/59/29/80/1069592980.db2.gz YVFZPHNVICHGAG-UHFFFAOYSA-N 1 1 472.703 4.180 20 0 JIADMO CC(C)(C)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001359503019 1069768866 /nfs/dbraw/zinc/76/88/66/1069768866.db2.gz DFGPVQPQOIDUQG-CYBMUJFWSA-N 1 1 453.475 4.381 20 0 JIADMO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CCCC1CCCC1 ZINC001359514904 1069801267 /nfs/dbraw/zinc/80/12/67/1069801267.db2.gz CEFFBPBSZHDAJM-QHCPKHFHSA-N 1 1 469.674 4.108 20 0 JIADMO CC(C)(C)Cc1nnc(N(Cc2cccc(F)c2)C[C@H]2CCCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001359524700 1069813483 /nfs/dbraw/zinc/81/34/83/1069813483.db2.gz MJMFVNYOGQRCPA-HSZRJFAPSA-N 1 1 487.664 4.302 20 0 JIADMO CC(C)(C)Cc1nnc(N(Cc2cccc(F)c2)C[C@H]2CCCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001359524700 1069813484 /nfs/dbraw/zinc/81/34/84/1069813484.db2.gz MJMFVNYOGQRCPA-HSZRJFAPSA-N 1 1 487.664 4.302 20 0 JIADMO CC(C)(C)Cc1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001359528174 1069818299 /nfs/dbraw/zinc/81/82/99/1069818299.db2.gz IIGKUMHZCXVEKR-HSZRJFAPSA-N 1 1 483.554 4.374 20 0 JIADMO CC(C)(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001359540917 1069838100 /nfs/dbraw/zinc/83/81/00/1069838100.db2.gz KXBROFIXMUXBND-UHFFFAOYSA-N 1 1 497.713 4.265 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001359542279 1069840645 /nfs/dbraw/zinc/84/06/45/1069840645.db2.gz USUFNVCNJVHVIJ-NRFANRHFSA-N 1 1 476.065 4.209 20 0 JIADMO CC(C)(C)Cc1nnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001359542279 1069840646 /nfs/dbraw/zinc/84/06/46/1069840646.db2.gz USUFNVCNJVHVIJ-NRFANRHFSA-N 1 1 476.065 4.209 20 0 JIADMO Cc1ccccc1CN1CCN(c2nnc(Cc3cccnc3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001492595627 1069847504 /nfs/dbraw/zinc/84/75/04/1069847504.db2.gz GGYWRHFWHMDIBC-UHFFFAOYSA-N 1 1 475.685 4.013 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC(F)(F)C2)CC1 ZINC001359547729 1069853973 /nfs/dbraw/zinc/85/39/73/1069853973.db2.gz ALMWZWBXLOIBLC-UHFFFAOYSA-N 1 1 471.394 4.392 20 0 JIADMO CC(C)(C)OC(=O)NCCn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001359573724 1069957057 /nfs/dbraw/zinc/95/70/57/1069957057.db2.gz DELGUGVMUWOGMA-UHFFFAOYSA-N 1 1 496.681 4.167 20 0 JIADMO CC(C)(C)O[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001359580018 1070000822 /nfs/dbraw/zinc/00/08/22/1070000822.db2.gz YSDLKUCIDZNATK-FCHUYYIVSA-N 1 1 476.065 4.229 20 0 JIADMO CC(C)(C)[C@@]1(C)CN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001359594773 1070043052 /nfs/dbraw/zinc/04/30/52/1070043052.db2.gz NOGJNDQNBBNRQK-RUZDIDTESA-N 1 1 476.065 4.351 20 0 JIADMO CC(C)(Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001359596180 1070047097 /nfs/dbraw/zinc/04/70/97/1070047097.db2.gz DAQIEXAYKHISBK-UHFFFAOYSA-N 1 1 483.554 4.288 20 0 JIADMO CC(C)(C)[N@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001359598565 1070054983 /nfs/dbraw/zinc/05/49/83/1070054983.db2.gz GDYJBHATQKSPLV-QFIPXVFZSA-N 1 1 455.647 4.106 20 0 JIADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+](C)C2CCCCC2)C1 ZINC001359622832 1070100308 /nfs/dbraw/zinc/10/03/08/1070100308.db2.gz KGZUTXNOCPCCGU-QHCPKHFHSA-N 1 1 484.664 4.014 20 0 JIADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[N@H+](C)C(C)C)C1 ZINC001359627000 1070124943 /nfs/dbraw/zinc/12/49/43/1070124943.db2.gz AQNCCCCKBGQFKK-FQEVSTJZSA-N 1 1 475.081 4.317 20 0 JIADMO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001359628054 1070130420 /nfs/dbraw/zinc/13/04/20/1070130420.db2.gz WHHQGGVWKJGYEG-VXKWHMMOSA-N 1 1 484.664 4.337 20 0 JIADMO CC(C)C(=O)NCCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001359639055 1070172010 /nfs/dbraw/zinc/17/20/10/1070172010.db2.gz QCLPTSRICOXTAH-SFHVURJKSA-N 1 1 487.073 4.315 20 0 JIADMO CC(C)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001359643885 1070183426 /nfs/dbraw/zinc/18/34/26/1070183426.db2.gz QEOFSESSKICWQV-UHFFFAOYSA-N 1 1 470.637 4.048 20 0 JIADMO CC(C)[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC001359651823 1070214131 /nfs/dbraw/zinc/21/41/31/1070214131.db2.gz GDURILQTHDKYMI-NSOVKSMOSA-N 1 1 483.701 4.145 20 0 JIADMO CC(C)[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001359651823 1070214149 /nfs/dbraw/zinc/21/41/49/1070214149.db2.gz GDURILQTHDKYMI-NSOVKSMOSA-N 1 1 483.701 4.145 20 0 JIADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001359656479 1070235555 /nfs/dbraw/zinc/23/55/55/1070235555.db2.gz QFMZYEUQCRRRHD-WOJBJXKFSA-N 1 1 487.092 4.460 20 0 JIADMO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC001359657575 1070247485 /nfs/dbraw/zinc/24/74/85/1070247485.db2.gz KDCBJRYQQGIIME-FPOVZHCZSA-N 1 1 469.678 4.018 20 0 JIADMO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCn3cc[nH+]c32)CC1 ZINC001359657577 1070248238 /nfs/dbraw/zinc/24/82/38/1070248238.db2.gz KDCBJRYQQGIIME-TZIWHRDSSA-N 1 1 469.678 4.018 20 0 JIADMO CC(C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1c(F)cccc1Cl)[NH+]1CCOCC1 ZINC001359662456 1070282704 /nfs/dbraw/zinc/28/27/04/1070282704.db2.gz ZUUOGYRMOHMWIE-FCHUYYIVSA-N 1 1 480.028 4.305 20 0 JIADMO CC(C)[C@@H](Cn1c(CC2CCCC2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCOCC1 ZINC001359665096 1070294383 /nfs/dbraw/zinc/29/43/83/1070294383.db2.gz SHJSICPPRMBUEE-JOCHJYFZSA-N 1 1 461.054 4.052 20 0 JIADMO CC(C)[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1)[NH+]1CCOCC1 ZINC001359666167 1070300787 /nfs/dbraw/zinc/30/07/87/1070300787.db2.gz ONDHZCDNDGRPCX-QMMLZNLJSA-N 1 1 482.069 4.375 20 0 JIADMO CC(C)c1ncc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)cn1 ZINC001359675670 1070329501 /nfs/dbraw/zinc/32/95/01/1070329501.db2.gz RAEUDZKCJWYMCK-UHFFFAOYSA-N 1 1 482.032 4.322 20 0 JIADMO CC(C)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001359680110 1070336318 /nfs/dbraw/zinc/33/63/18/1070336318.db2.gz FBXSNWZJFKAOGD-QFIPXVFZSA-N 1 1 468.042 4.038 20 0 JIADMO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCOC1CCCCCC1 ZINC001359686048 1070342333 /nfs/dbraw/zinc/34/23/33/1070342333.db2.gz QCZIGJBVPIMLES-XUZZJYLKSA-N 1 1 471.694 4.394 20 0 JIADMO CC(C)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001359690765 1070347401 /nfs/dbraw/zinc/34/74/01/1070347401.db2.gz SAZXPAHFYIEKKD-XLIONFOSSA-N 1 1 451.537 4.202 20 0 JIADMO CC(C)c1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001359700015 1070363130 /nfs/dbraw/zinc/36/31/30/1070363130.db2.gz ZUAFJJPOVUBWMJ-UHFFFAOYSA-N 1 1 473.735 4.199 20 0 JIADMO 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CS[C@H]1CCCCN(c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001316429919 1066262301 /nfs/dbraw/zinc/26/23/01/1066262301.db2.gz IKYCOQQWOYEXLZ-RBBKRZOGSA-N 1 1 491.677 4.075 20 0 JIADMO COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001325991478 1066278763 /nfs/dbraw/zinc/27/87/63/1066278763.db2.gz LCYZMXYCJRDDFS-OAQYLSRUSA-N 1 1 495.649 4.048 20 0 JIADMO CSC[C@@H]1CCCN1c1nnc(-c2cc(Br)cn2C)n1CCC[N@@H+](C)C(C)C ZINC001316433864 1066279878 /nfs/dbraw/zinc/27/98/78/1066279878.db2.gz KXKDAYHSJIYRMV-KRWDZBQOSA-N 1 1 469.497 4.108 20 0 JIADMO COc1ccc([C@@H](NC(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)c2ccc(F)cc2)cc1 ZINC001326128139 1066285630 /nfs/dbraw/zinc/28/56/30/1066285630.db2.gz DDCWKYOKBHHDNC-MHZLTWQESA-N 1 1 476.596 4.171 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2Cc2cccc(C(F)F)c2)n1 ZINC001492503602 1066315435 /nfs/dbraw/zinc/31/54/35/1066315435.db2.gz OCZWLNDFGWIXCJ-UHFFFAOYSA-N 1 1 470.568 4.181 20 0 JIADMO Cc1cccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2Cc2cccc(C(F)F)c2)n1 ZINC001492503602 1066315436 /nfs/dbraw/zinc/31/54/36/1066315436.db2.gz OCZWLNDFGWIXCJ-UHFFFAOYSA-N 1 1 470.568 4.181 20 0 JIADMO O=C(C[N@@H+]1CCC[C@@H](C(=O)NC2CC2)C1)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC001327321860 1066315707 /nfs/dbraw/zinc/31/57/07/1066315707.db2.gz XXCXLCJGNMFYIM-OAQYLSRUSA-N 1 1 492.620 4.473 20 0 JIADMO O=C(C[N@H+]1CCC[C@@H](C(=O)NC2CC2)C1)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC001327321860 1066315724 /nfs/dbraw/zinc/31/57/24/1066315724.db2.gz XXCXLCJGNMFYIM-OAQYLSRUSA-N 1 1 492.620 4.473 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001316446959 1066320356 /nfs/dbraw/zinc/32/03/56/1066320356.db2.gz MQVZSHWKJNYHAN-MBSDFSHPSA-N 1 1 496.146 4.384 20 0 JIADMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)c3occc3NC(=O)OC(C)(C)C)C2)ccn1 ZINC001328455454 1066324090 /nfs/dbraw/zinc/32/40/90/1066324090.db2.gz HPPUMLCDYXQYTE-LJQANCHMSA-N 1 1 458.559 4.155 20 0 JIADMO CSCC[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001316448778 1066324902 /nfs/dbraw/zinc/32/49/02/1066324902.db2.gz QXFRKHQHWXPTLY-PMVMPFDFSA-N 1 1 457.688 4.415 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)n2CCCNC(=O)C(C)C)n1 ZINC001492511842 1066347321 /nfs/dbraw/zinc/34/73/21/1066347321.db2.gz MCLNIUVUGFWUMF-QHCPKHFHSA-N 1 1 495.716 4.292 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CCC[N@@H+]2CCCC[C@H]2C)n1 ZINC001492513336 1066352921 /nfs/dbraw/zinc/35/29/21/1066352921.db2.gz AIMYPVIWRZWESF-YADHBBJMSA-N 1 1 481.689 4.044 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)C2)ccn1 ZINC001331301372 1066358319 /nfs/dbraw/zinc/35/83/19/1066358319.db2.gz NRCVQQGCDRALEQ-XMMPIXPASA-N 1 1 494.636 4.053 20 0 JIADMO CSCCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001316462889 1066360159 /nfs/dbraw/zinc/36/01/59/1066360159.db2.gz JWYSQOZTVFZCPV-GMAHTHKFSA-N 1 1 457.688 4.416 20 0 JIADMO CSCCCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001316464481 1066363153 /nfs/dbraw/zinc/36/31/53/1066363153.db2.gz BJIFJOCYWVEFDG-INIZCTEOSA-N 1 1 464.477 4.381 20 0 JIADMO 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 1066372617 /nfs/dbraw/zinc/37/26/17/1066372617.db2.gz SBJHMFIXJHZZPK-SVFBPWRDSA-N 1 1 493.622 4.089 20 0 JIADMO CSCCCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001316469992 1066375281 /nfs/dbraw/zinc/37/52/81/1066375281.db2.gz RFTQMPXFRORVRL-HXUWFJFHSA-N 1 1 454.644 4.122 20 0 JIADMO CSCCCn1c(-c2cccc3cccnc32)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001316472605 1066380867 /nfs/dbraw/zinc/38/08/67/1066380867.db2.gz DAGWRBWOWHCEKL-UHFFFAOYSA-N 1 1 468.671 4.041 20 0 JIADMO C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCOCC2(C)C)C[C@H]1C(F)(F)F ZINC001316488181 1066414144 /nfs/dbraw/zinc/41/41/44/1066414144.db2.gz XTRLZHPRVWGRLK-NVXWUHKLSA-N 1 1 471.955 4.344 20 0 JIADMO C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCOCC2(C)C)C[C@H]1C(F)(F)F ZINC001316488181 1066414155 /nfs/dbraw/zinc/41/41/55/1066414155.db2.gz XTRLZHPRVWGRLK-NVXWUHKLSA-N 1 1 471.955 4.344 20 0 JIADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1nc(C(C)(C)C)cs1 ZINC001316492649 1066432276 /nfs/dbraw/zinc/43/22/76/1066432276.db2.gz PKPHMTLBVVXJDA-QGZVFWFLSA-N 1 1 460.692 4.067 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(Cc2ccncc2)n1CCCC(F)(F)F ZINC001316495878 1066442943 /nfs/dbraw/zinc/44/29/43/1066442943.db2.gz GSIWTFXFKVYBFQ-LJQANCHMSA-N 1 1 458.532 4.317 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3ccc(NC(=O)C4CC4)cc3C(F)(F)F)c2)CC1 ZINC001336773639 1066447486 /nfs/dbraw/zinc/44/74/86/1066447486.db2.gz LPESIHLKBKLBKU-UHFFFAOYSA-N 1 1 489.542 4.123 20 0 JIADMO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001316498747 1066455396 /nfs/dbraw/zinc/45/53/96/1066455396.db2.gz XZRMDDOHISTYPR-LJQANCHMSA-N 1 1 462.683 4.235 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC(C)(C)C)n2CCc2nc(C(F)(F)F)cs2)C[C@H](C)O1 ZINC001316503190 1066468085 /nfs/dbraw/zinc/46/80/85/1066468085.db2.gz NMYOVOIVDHSOPY-IYBDPMFKSA-N 1 1 488.624 4.130 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC(C)(C)C)n2CCc2nc(C(F)(F)F)cs2)C[C@H](C)O1 ZINC001316503190 1066468104 /nfs/dbraw/zinc/46/81/04/1066468104.db2.gz NMYOVOIVDHSOPY-IYBDPMFKSA-N 1 1 488.624 4.130 20 0 JIADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCC(C)(C)O ZINC001316504100 1066472825 /nfs/dbraw/zinc/47/28/25/1066472825.db2.gz KDIMFJIDUVBHQG-NRFANRHFSA-N 1 1 499.700 4.005 20 0 JIADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1Cc1cc(Br)cs1 ZINC001316504058 1066473052 /nfs/dbraw/zinc/47/30/52/1066473052.db2.gz HWSYLYRQHODXDD-INIZCTEOSA-N 1 1 496.519 4.429 20 0 JIADMO FC(F)C(F)(F)COCCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001316516790 1066514952 /nfs/dbraw/zinc/51/49/52/1066514952.db2.gz OCWPHTZKRVCZKH-KRWDZBQOSA-N 1 1 475.918 4.190 20 0 JIADMO CC(=O)N[C@H](CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1ccc(Cl)cc1 ZINC001338429534 1066554589 /nfs/dbraw/zinc/55/45/89/1066554589.db2.gz LRWPHAAKEZXNFX-OAQYLSRUSA-N 1 1 453.974 4.408 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)CC(F)(F)F)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001492537627 1066593928 /nfs/dbraw/zinc/59/39/28/1066593928.db2.gz DHNQMMZVPAZHEJ-HDICACEKSA-N 1 1 469.552 4.052 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)C3CCCCC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001492537485 1066594018 /nfs/dbraw/zinc/59/40/18/1066594018.db2.gz ZKDDFZVKQGPQBW-XMMPIXPASA-N 1 1 455.647 4.291 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)[C@@H](C)c3ccco3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492537468 1066594055 /nfs/dbraw/zinc/59/40/55/1066594055.db2.gz YZWFIPPHCWVQKY-GMAHTHKFSA-N 1 1 467.614 4.313 20 0 JIADMO OCCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(F)(F)CC1 ZINC001316589622 1066618608 /nfs/dbraw/zinc/61/86/08/1066618608.db2.gz VYQRXCBVOSFAEJ-INIZCTEOSA-N 1 1 474.383 4.334 20 0 JIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)OCc3nnc(-c4ccc(Br)cc4)o3)cc2)C[C@H](C)O1 ZINC001344994812 1066637271 /nfs/dbraw/zinc/63/72/71/1066637271.db2.gz GLVMCAFSEKHWEZ-HOTGVXAUSA-N 1 1 486.366 4.465 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(C(C)C)CC3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001492541039 1066642733 /nfs/dbraw/zinc/64/27/33/1066642733.db2.gz BTQYKYBWRYCLOO-UHFFFAOYSA-N 1 1 455.647 4.149 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(CC(F)(F)F)CC3)n2CCC[NH+]2CCOCC2)c1 ZINC001492541351 1066645052 /nfs/dbraw/zinc/64/50/52/1066645052.db2.gz ILKFBBSKTVTLKO-UHFFFAOYSA-N 1 1 481.563 4.057 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001492541626 1066650245 /nfs/dbraw/zinc/65/02/45/1066650245.db2.gz MVNAQOMURGJQQI-NRFANRHFSA-N 1 1 455.647 4.149 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001492541626 1066650251 /nfs/dbraw/zinc/65/02/51/1066650251.db2.gz MVNAQOMURGJQQI-NRFANRHFSA-N 1 1 455.647 4.149 20 0 JIADMO Cc1cccc(OCc2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCCN(C)C(=O)OC(C)(C)C)c1 ZINC001492542055 1066653328 /nfs/dbraw/zinc/65/33/28/1066653328.db2.gz KSEMWCOBOGJMDA-YADHBBJMSA-N 1 1 498.672 4.095 20 0 JIADMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC001317743075 1066660996 /nfs/dbraw/zinc/66/09/96/1066660996.db2.gz FBPVAVRGYVIRCT-LJQANCHMSA-N 1 1 496.633 4.209 20 0 JIADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)C1 ZINC001347076231 1066673752 /nfs/dbraw/zinc/67/37/52/1066673752.db2.gz RJAGFQNSDORLNN-ZWEKWIFMSA-N 1 1 464.606 4.067 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001492544697 1066708713 /nfs/dbraw/zinc/70/87/13/1066708713.db2.gz WDQNSFACTSGVBF-OALUTQOASA-N 1 1 451.537 4.429 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CC2)cc1 ZINC001317842755 1066725305 /nfs/dbraw/zinc/72/53/05/1066725305.db2.gz LKOWEOSJNPNTFX-SFTDATJTSA-N 1 1 454.590 4.488 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001492546081 1066768780 /nfs/dbraw/zinc/76/87/80/1066768780.db2.gz OXUXBKYLHOQEHU-HFZDXXHNSA-N 1 1 455.647 4.027 20 0 JIADMO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC001317904138 1066773815 /nfs/dbraw/zinc/77/38/15/1066773815.db2.gz JVZYWLIOALOIPE-WOJBJXKFSA-N 1 1 462.594 4.407 20 0 JIADMO Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)cc1 ZINC001348898366 1066787310 /nfs/dbraw/zinc/78/73/10/1066787310.db2.gz HIZLMSSDBQSQOY-DEOSSOPVSA-N 1 1 460.578 4.336 20 0 JIADMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001349166640 1066816898 /nfs/dbraw/zinc/81/68/98/1066816898.db2.gz SCUNUMSTRCZEDW-OAQYLSRUSA-N 1 1 450.004 4.064 20 0 JIADMO COc1ccc2c(c1)c(C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c1)c(C)n2C1CC1 ZINC001317997454 1066840694 /nfs/dbraw/zinc/84/06/94/1066840694.db2.gz ZXQVOEVNQKUVMZ-UHFFFAOYSA-N 1 1 494.567 4.345 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CCSCC(C)C)c1 ZINC001492546976 1066857239 /nfs/dbraw/zinc/85/72/39/1066857239.db2.gz JVKUKWKLOKBUBM-JOCHJYFZSA-N 1 1 487.714 4.244 20 0 JIADMO COc1cccc(N2CCC(NC(=O)NCc3ccccc3C[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC001318027565 1066859028 /nfs/dbraw/zinc/85/90/28/1066859028.db2.gz KWNOGWJPYSBOLH-OAQYLSRUSA-N 1 1 450.627 4.395 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1 ZINC001318059371 1066876555 /nfs/dbraw/zinc/87/65/55/1066876555.db2.gz VOFNVAZYDMDMKY-NRFANRHFSA-N 1 1 462.594 4.077 20 0 JIADMO COc1ccccc1[C@@H]1[C@H](C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCC(=O)N1c1ccc(C)cc1 ZINC001318061790 1066878788 /nfs/dbraw/zinc/87/87/88/1066878788.db2.gz PFZILHOXNNIEAO-CAKYRVLISA-N 1 1 461.606 4.185 20 0 JIADMO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccccc1 ZINC001349863939 1066889221 /nfs/dbraw/zinc/88/92/21/1066889221.db2.gz TYFSMFOCOCUQFB-VWLOTQADSA-N 1 1 450.604 4.473 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3nnn(-c4cccc(F)c4)c3C(F)(F)F)CC2)cc1 ZINC001318083473 1066891493 /nfs/dbraw/zinc/89/14/93/1066891493.db2.gz ZAZKCHBRCXYSFR-UHFFFAOYSA-N 1 1 461.463 4.082 20 0 JIADMO C[NH+](C)[C@H](C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC001349893745 1066892268 /nfs/dbraw/zinc/89/22/68/1066892268.db2.gz LTKNSTUYQSQNSL-IBGZPJMESA-N 1 1 454.785 4.234 20 0 JIADMO COc1ccc(-n2c(=S)n(CN3CCC[N@H+]4CCC[C@H]4C3)nc2-c2cccc(OC)c2)cc1 ZINC001318093984 1066895999 /nfs/dbraw/zinc/89/59/99/1066895999.db2.gz AINNVNXGGIBBQR-NRFANRHFSA-N 1 1 465.623 4.215 20 0 JIADMO Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)cc2)c(C)c1C ZINC001318108577 1066903640 /nfs/dbraw/zinc/90/36/40/1066903640.db2.gz VQKZIVHZDPTMPZ-DEOSSOPVSA-N 1 1 469.651 4.340 20 0 JIADMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001318141183 1066920605 /nfs/dbraw/zinc/92/06/05/1066920605.db2.gz FQKPDWHVIUQSGS-DQEYMECFSA-N 1 1 488.657 4.452 20 0 JIADMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001318141183 1066920617 /nfs/dbraw/zinc/92/06/17/1066920617.db2.gz FQKPDWHVIUQSGS-DQEYMECFSA-N 1 1 488.657 4.452 20 0 JIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2sc(N(C)C)nc2Cl)c1 ZINC001350387530 1066951388 /nfs/dbraw/zinc/95/13/88/1066951388.db2.gz NJMGUNMVHBJUDW-LBPRGKRZSA-N 1 1 453.971 4.067 20 0 JIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2sc(N(C)C)nc2Cl)c1 ZINC001350387530 1066951397 /nfs/dbraw/zinc/95/13/97/1066951397.db2.gz NJMGUNMVHBJUDW-LBPRGKRZSA-N 1 1 453.971 4.067 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1cn(-c2ccc(Br)cc2)nn1 ZINC001318214230 1066963278 /nfs/dbraw/zinc/96/32/78/1066963278.db2.gz QELHDNBTMKAUNE-UHFFFAOYSA-N 1 1 480.370 4.144 20 0 JIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNS(=O)(=O)Cc2ccc(Br)cc2F)C1 ZINC001318216369 1066965219 /nfs/dbraw/zinc/96/52/19/1066965219.db2.gz NLPJIMCOLHGCHD-INIZCTEOSA-N 1 1 469.420 4.440 20 0 JIADMO COCCN(C(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001318226303 1066971359 /nfs/dbraw/zinc/97/13/59/1066971359.db2.gz NQCZRFVBUKLHOD-FQEVSTJZSA-N 1 1 492.586 4.372 20 0 JIADMO CN(C(=O)CSCC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)C1CCCCC1 ZINC001318229307 1066972637 /nfs/dbraw/zinc/97/26/37/1066972637.db2.gz DGMVZNJDQHANEE-UHFFFAOYSA-N 1 1 457.644 4.012 20 0 JIADMO COc1ccc(-c2nnc(SCC(=O)Nc3ccc4[nH]c(C[NH+]5CCCCC5)nc4c3)o2)cc1 ZINC001318229225 1066972725 /nfs/dbraw/zinc/97/27/25/1066972725.db2.gz BIUXFGRRTIZCTF-UHFFFAOYSA-N 1 1 478.578 4.338 20 0 JIADMO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318229500 1066972879 /nfs/dbraw/zinc/97/28/79/1066972879.db2.gz FNIKASIAWKVCHK-DFBJGRDBSA-N 1 1 473.621 4.487 20 0 JIADMO COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318230109 1066974088 /nfs/dbraw/zinc/97/40/88/1066974088.db2.gz SRMWGRZHWFOHSS-MRXNPFEDSA-N 1 1 452.580 4.455 20 0 JIADMO CCOc1ccccc1[C@@H](CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)NC(C)=O ZINC001318244031 1066981048 /nfs/dbraw/zinc/98/10/48/1066981048.db2.gz AZJRORTYMYQGQS-JOCHJYFZSA-N 1 1 463.582 4.154 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)NCc3cccc(COc4ccccc4)c3)c2)CC1 ZINC001318280770 1067000410 /nfs/dbraw/zinc/00/04/10/1067000410.db2.gz OBCSPFUIEKGGSP-UHFFFAOYSA-N 1 1 458.606 4.012 20 0 JIADMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC001318305101 1067009084 /nfs/dbraw/zinc/00/90/84/1067009084.db2.gz BFJPSSAJAFKDHF-AUSIDOKSSA-N 1 1 477.432 4.451 20 0 JIADMO CN(C(=O)OC(C)(C)C)C1(C)CC[NH+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)CC1 ZINC001318331196 1067020558 /nfs/dbraw/zinc/02/05/58/1067020558.db2.gz WTPFFVMUTAPNJC-NRFANRHFSA-N 1 1 451.567 4.193 20 0 JIADMO COc1ccccc1SCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCn1cc[nH+]c1C ZINC001300686400 1067029130 /nfs/dbraw/zinc/02/91/30/1067029130.db2.gz GPZYGIPPLJDTQO-DLBZAZTESA-N 1 1 458.657 4.114 20 0 JIADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccccc3-c3ncc(-c4ccc(F)cc4)o3)CC2)CC1 ZINC001318365146 1067032587 /nfs/dbraw/zinc/03/25/87/1067032587.db2.gz SYRDCDYDIRJLTR-UHFFFAOYSA-N 1 1 490.579 4.164 20 0 JIADMO CC[NH+](CC)[C@@H](C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1cccc(C(F)(F)F)c1 ZINC001354669981 1067034442 /nfs/dbraw/zinc/03/44/42/1067034442.db2.gz MOMBKVHWGFLSIM-OAQYLSRUSA-N 1 1 458.484 4.383 20 0 JIADMO Cc1ccc(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)cc1S(=O)(=O)N1CCCCC1 ZINC001318417384 1067039877 /nfs/dbraw/zinc/03/98/77/1067039877.db2.gz HGQVFLIAGHYVAJ-UHFFFAOYSA-N 1 1 495.649 4.284 20 0 JIADMO COc1ccc(C(NC(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccc(OC)cc2)cc1 ZINC001319024492 1067063262 /nfs/dbraw/zinc/06/32/62/1067063262.db2.gz AJOYJYBAGFVINJ-UHFFFAOYSA-N 1 1 488.632 4.040 20 0 JIADMO 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 1067067929 /nfs/dbraw/zinc/06/79/29/1067067929.db2.gz YDSGGZJEURPWPQ-KOUIYBMESA-N 1 1 457.977 4.025 20 0 JIADMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2cc(C)nc(-c3ccc(Br)cc3)n2)cc1 ZINC001472836154 1067086837 /nfs/dbraw/zinc/08/68/37/1067086837.db2.gz ZNSRJQNDLLKLID-HXUWFJFHSA-N 1 1 453.384 4.331 20 0 JIADMO CC(C)[C@@H](NC(=O)C[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1)c1ccc2c(c1)OCCCO2 ZINC001321428287 1067126574 /nfs/dbraw/zinc/12/65/74/1067126574.db2.gz ZXLUZELWTLQYHP-RRPNLBNLSA-N 1 1 477.605 4.109 20 0 JIADMO CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001321485364 1067142569 /nfs/dbraw/zinc/14/25/69/1067142569.db2.gz HLWFPAXPMGAHAF-QHCPKHFHSA-N 1 1 475.593 4.191 20 0 JIADMO CC1(C)CN(C(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CC[N@H+]1Cc1ccccc1 ZINC001321585663 1067170894 /nfs/dbraw/zinc/17/08/94/1067170894.db2.gz RPZZOUVJRAGQAJ-UHFFFAOYSA-N 1 1 458.587 4.160 20 0 JIADMO CC(C)c1oc(-c2ccccc2)nc1C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC001321630584 1067183063 /nfs/dbraw/zinc/18/30/63/1067183063.db2.gz ZDWFMXRHPXRHDH-JOCHJYFZSA-N 1 1 460.578 4.092 20 0 JIADMO C[N@@H+](CCCOc1ccccc1CNC(=O)C1(C)CN(C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC001354843919 1067183469 /nfs/dbraw/zinc/18/34/69/1067183469.db2.gz RQFNPBUTWTYDHB-UHFFFAOYSA-N 1 1 459.631 4.203 20 0 JIADMO Cc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)ccc1N1CCN(C)CC1 ZINC001321653874 1067191173 /nfs/dbraw/zinc/19/11/73/1067191173.db2.gz CFIWOJFBLNKBMT-QHCPKHFHSA-N 1 1 455.672 4.403 20 0 JIADMO CC(C)C[N@H+]1CC[C@H](NC(=S)Nc2c(F)cc(Br)cc2Br)C1 ZINC001200805245 1067226212 /nfs/dbraw/zinc/22/62/12/1067226212.db2.gz ROXJCQLKDZGQAH-NSHDSACASA-N 1 1 453.219 4.367 20 0 JIADMO 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 1067281544 /nfs/dbraw/zinc/28/15/44/1067281544.db2.gz SBXHRFHJOWNAAK-CEXWTWQISA-N 1 1 459.612 4.370 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001300757244 1067286780 /nfs/dbraw/zinc/28/67/80/1067286780.db2.gz FPBKMFCXHFGEEZ-UXHICEINSA-N 1 1 463.573 4.282 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)c3[nH]c4ccc(Br)cc4c3Cl)c2)CC1 ZINC001322415540 1067289784 /nfs/dbraw/zinc/28/97/84/1067289784.db2.gz WPFSPVRAKKIOFF-UHFFFAOYSA-N 1 1 475.818 4.261 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3ccc(CC(=O)Nc4ccccc4F)cc3)c2)CC1 ZINC001322425350 1067291210 /nfs/dbraw/zinc/29/12/10/1067291210.db2.gz YTOMUIDJWJIMIS-UHFFFAOYSA-N 1 1 489.595 4.076 20 0 JIADMO CO[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001300758867 1067293029 /nfs/dbraw/zinc/29/30/29/1067293029.db2.gz XRXFZYVHDOYBLP-MJGOQNOKSA-N 1 1 479.467 4.019 20 0 JIADMO COC(=O)c1cc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)ccc1OC ZINC001352143739 1067298842 /nfs/dbraw/zinc/29/88/42/1067298842.db2.gz WEEPHJLHDBFJIG-VAVYLYDRSA-N 1 1 472.585 4.188 20 0 JIADMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC001354958502 1067304437 /nfs/dbraw/zinc/30/44/37/1067304437.db2.gz NYGUUGGYGKWJMU-DNQXCXABSA-N 1 1 463.622 4.421 20 0 JIADMO CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001354966615 1067309319 /nfs/dbraw/zinc/30/93/19/1067309319.db2.gz ZVJYJGDUVDIXET-IZZNHLLZSA-N 1 1 465.613 4.229 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001492552622 1067318310 /nfs/dbraw/zinc/31/83/10/1067318310.db2.gz BSKYOHWTGKXVNE-QONNDPFASA-N 1 1 499.700 4.181 20 0 JIADMO CO[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001300771576 1067319935 /nfs/dbraw/zinc/31/99/35/1067319935.db2.gz COZXNPRRHJQBDK-NNMXDRDESA-N 1 1 462.038 4.246 20 0 JIADMO 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 1067322588 /nfs/dbraw/zinc/32/25/88/1067322588.db2.gz NLDWIVNNQGVJFX-QHAWAJNXSA-N 1 1 478.641 4.439 20 0 JIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccccc2N2CCCC2=O)c1 ZINC001355000945 1067330316 /nfs/dbraw/zinc/33/03/16/1067330316.db2.gz MXZVMHCROACASM-KRWDZBQOSA-N 1 1 452.530 4.018 20 0 JIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccccc2N2CCCC2=O)c1 ZINC001355000945 1067330330 /nfs/dbraw/zinc/33/03/30/1067330330.db2.gz MXZVMHCROACASM-KRWDZBQOSA-N 1 1 452.530 4.018 20 0 JIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)c1 ZINC001355013485 1067335996 /nfs/dbraw/zinc/33/59/96/1067335996.db2.gz PYYHAXDPTLJFLP-JLGINSKQSA-N 1 1 453.558 4.367 20 0 JIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)c1 ZINC001355013485 1067336010 /nfs/dbraw/zinc/33/60/10/1067336010.db2.gz PYYHAXDPTLJFLP-JLGINSKQSA-N 1 1 453.558 4.367 20 0 JIADMO Cc1cccc(-c2nnc(N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[N@H+](C)C(C)C)n1 ZINC001492497280 1067336378 /nfs/dbraw/zinc/33/63/78/1067336378.db2.gz SBPHFGVNMJNBQD-UHFFFAOYSA-N 1 1 485.677 4.215 20 0 JIADMO COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC001355013625 1067336930 /nfs/dbraw/zinc/33/69/30/1067336930.db2.gz VTFZUWOZZOIONI-SJORKVTESA-N 1 1 455.530 4.152 20 0 JIADMO COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC001355013625 1067336941 /nfs/dbraw/zinc/33/69/41/1067336941.db2.gz VTFZUWOZZOIONI-SJORKVTESA-N 1 1 455.530 4.152 20 0 JIADMO COC1CC[NH+](C(C)(C)Cn2c(-c3ccccc3Cl)nnc2N2CCN(C(C)C)CC2)CC1 ZINC001300783139 1067340365 /nfs/dbraw/zinc/34/03/65/1067340365.db2.gz UYSRTNSFEUYEDB-UHFFFAOYSA-N 1 1 475.081 4.018 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3ccc(C)s3)n2CC[N@@H+]2CCOCC2(C)C)cc1OC ZINC001300002573 1067344014 /nfs/dbraw/zinc/34/40/14/1067344014.db2.gz QWMLHSMLXLNUJD-UHFFFAOYSA-N 1 1 485.654 4.079 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3ccc(C)s3)n2CC[N@H+]2CCOCC2(C)C)cc1OC ZINC001300002573 1067344023 /nfs/dbraw/zinc/34/40/23/1067344023.db2.gz QWMLHSMLXLNUJD-UHFFFAOYSA-N 1 1 485.654 4.079 20 0 JIADMO 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 1067350993 /nfs/dbraw/zinc/35/09/93/1067350993.db2.gz MJXDTQQOWQHBOK-PABCKOPISA-N 1 1 487.714 4.054 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3ccon3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001300007446 1067357536 /nfs/dbraw/zinc/35/75/36/1067357536.db2.gz SQUADDIPVCAOKW-KDURUIRLSA-N 1 1 452.603 4.335 20 0 JIADMO COc1ccc(-c2nnc(N(C)C[C@H]3CCCCO3)n2CCC[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC001300008145 1067358196 /nfs/dbraw/zinc/35/81/96/1067358196.db2.gz CQKDCMINGKZWGL-RBBKRZOGSA-N 1 1 471.646 4.232 20 0 JIADMO COc1ccc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2CCC[N@H+]2CCCC[C@H]2C)c(OC)c1 ZINC001300008143 1067358363 /nfs/dbraw/zinc/35/83/63/1067358363.db2.gz CQKDCMINGKZWGL-IRLDBZIGSA-N 1 1 471.646 4.232 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(=S)Nc1ccccc1Cl)CC2 ZINC001200854910 1067362706 /nfs/dbraw/zinc/36/27/06/1067362706.db2.gz WIQFKYGEDCKGTC-IBGZPJMESA-N 1 1 452.064 4.266 20 0 JIADMO CO[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001300793400 1067365747 /nfs/dbraw/zinc/36/57/47/1067365747.db2.gz FXCGLWXRKLFVLQ-OXJNMPFZSA-N 1 1 460.529 4.003 20 0 JIADMO Cc1ccccc1[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001492554844 1067372445 /nfs/dbraw/zinc/37/24/45/1067372445.db2.gz XNLQNQNVFFKQQT-FGZHOGPDSA-N 1 1 450.631 4.290 20 0 JIADMO 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 1067375800 /nfs/dbraw/zinc/37/58/00/1067375800.db2.gz BYKISWLDZNGKKO-RZUBCFFCSA-N 1 1 485.673 4.334 20 0 JIADMO COc1ccc(-c2nnc(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)n2CCC(C)(F)F)cc1 ZINC001300017225 1067378504 /nfs/dbraw/zinc/37/85/04/1067378504.db2.gz NOOYDHXEHRFYTF-SIKLNZKXSA-N 1 1 487.599 4.252 20 0 JIADMO COc1ccc(-c2nnc(N3CC(C)(C)OC[C@@H]3C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300020112 1067383903 /nfs/dbraw/zinc/38/39/03/1067383903.db2.gz ZJMVYLITCIUZID-PMACEKPBSA-N 1 1 455.647 4.468 20 0 JIADMO COc1ccc(-c2nnc(N3CC(C)(OC)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1Br ZINC001300021059 1067384972 /nfs/dbraw/zinc/38/49/72/1067384972.db2.gz ACKJDZGYKDKMCX-LJQANCHMSA-N 1 1 492.462 4.062 20 0 JIADMO COc1ccc(-c2nnc(N3C[C@@H](C)[C@@H]([N@H+]4CCCN(C(C)=O)CC4)C3)n2CCCC(C)(C)C)cc1 ZINC001300021167 1067385409 /nfs/dbraw/zinc/38/54/09/1067385409.db2.gz BYOLZJHKNUSQKG-BWKNWUBXSA-N 1 1 496.700 4.159 20 0 JIADMO CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)ccn1 ZINC001355234246 1067393467 /nfs/dbraw/zinc/39/34/67/1067393467.db2.gz NNGKUMAMUDACNV-JOCHJYFZSA-N 1 1 452.942 4.437 20 0 JIADMO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)c1 ZINC001355239030 1067394395 /nfs/dbraw/zinc/39/43/95/1067394395.db2.gz IYLCXKIPGDSGIB-NRFANRHFSA-N 1 1 456.974 4.027 20 0 JIADMO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)c1 ZINC001355239030 1067394407 /nfs/dbraw/zinc/39/44/07/1067394407.db2.gz IYLCXKIPGDSGIB-NRFANRHFSA-N 1 1 456.974 4.027 20 0 JIADMO C[C@@H](CCNC(=O)c1cc(Br)nc(Br)c1)[N@@H+](C)Cc1ccccc1 ZINC001355308933 1067412730 /nfs/dbraw/zinc/41/27/30/1067412730.db2.gz CBWITZRKTMVXBL-ZDUSSCGKSA-N 1 1 455.194 4.247 20 0 JIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc(Br)cc2C(N)=O)c1 ZINC001355329998 1067422000 /nfs/dbraw/zinc/42/20/00/1067422000.db2.gz WJWQFBJNFBJSCQ-UHFFFAOYSA-N 1 1 452.352 4.432 20 0 JIADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)Oc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC001352503546 1067451224 /nfs/dbraw/zinc/45/12/24/1067451224.db2.gz WBASNGANEQEPAH-IZZNHLLZSA-N 1 1 478.614 4.067 20 0 JIADMO COc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC001300040136 1067459909 /nfs/dbraw/zinc/45/99/09/1067459909.db2.gz FWANAEDOUSGSDE-OAQYLSRUSA-N 1 1 499.700 4.462 20 0 JIADMO COc1ccc(-c2nnc(N3CC[C@]4(C3)CCCOC4)n2CC[N@@H+](C)C(C)C)cc1Br ZINC001300046935 1067499186 /nfs/dbraw/zinc/49/91/86/1067499186.db2.gz JCDSWLAQAHGXTC-QHCPKHFHSA-N 1 1 492.462 4.063 20 0 JIADMO CN(C(=O)c1cc(F)ccc1I)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001355531316 1067500427 /nfs/dbraw/zinc/50/04/27/1067500427.db2.gz XFJZJTUKRSLVNQ-KRWDZBQOSA-N 1 1 452.311 4.167 20 0 JIADMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(CN4CCCCC4)o3)c(C(F)(F)F)c2)CC1 ZINC001355593850 1067520288 /nfs/dbraw/zinc/52/02/88/1067520288.db2.gz QZUFLXSXZOSCFZ-UHFFFAOYSA-N 1 1 450.505 4.288 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001300052185 1067520773 /nfs/dbraw/zinc/52/07/73/1067520773.db2.gz WSTCRRRPVFWJSY-FNZWTVRRSA-N 1 1 471.646 4.088 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001300052188 1067521575 /nfs/dbraw/zinc/52/15/75/1067521575.db2.gz WSTCRRRPVFWJSY-RXFWQSSRSA-N 1 1 471.646 4.088 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)n2CC(C)(C)OC)cc1 ZINC001300052898 1067524952 /nfs/dbraw/zinc/52/49/52/1067524952.db2.gz FLSZLFMCWBWJHI-LEWJYISDSA-N 1 1 455.647 4.470 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC001300057428 1067546321 /nfs/dbraw/zinc/54/63/21/1067546321.db2.gz UMVSOPSSSNUILO-RBBKRZOGSA-N 1 1 485.673 4.478 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[C@H]3C(C)C)n2C[C@H](C)[NH+]2CCOCC2)cc1Br ZINC001300060197 1067557548 /nfs/dbraw/zinc/55/75/48/1067557548.db2.gz NBJZCFVJLHYURS-PXNSSMCTSA-N 1 1 492.462 4.062 20 0 JIADMO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N[C@H](C)C(=O)NCc2ccccc2)c1 ZINC001355735405 1067567856 /nfs/dbraw/zinc/56/78/56/1067567856.db2.gz LXNGEGHCTFNTDX-VYCLJVNGSA-N 1 1 455.602 4.032 20 0 JIADMO COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC[C@@H]2CCO[C@@H](C)C2)c(OC)c1 ZINC001300062187 1067568955 /nfs/dbraw/zinc/56/89/55/1067568955.db2.gz AWXSBQYSWOALNZ-LEWJYISDSA-N 1 1 471.646 4.088 20 0 JIADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)CCc3cccc(OCc4ccccc4)c3)cc2)CC1 ZINC001355819887 1067587104 /nfs/dbraw/zinc/58/71/04/1067587104.db2.gz OXAVEFRFMSAIIL-UHFFFAOYSA-N 1 1 457.574 4.225 20 0 JIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2nc(Br)ccc2Br)C1 ZINC001355842359 1067590657 /nfs/dbraw/zinc/59/06/57/1067590657.db2.gz JUOPDTOZMBFOIE-JSGCOSHPSA-N 1 1 453.178 4.172 20 0 JIADMO COc1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1OCc1ccc(Cl)cc1Cl ZINC001355872921 1067595954 /nfs/dbraw/zinc/59/59/54/1067595954.db2.gz WHLIUVIVEGBITA-SZNDQCEHSA-N 1 1 453.366 4.030 20 0 JIADMO COc1cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1OCc1ccc(Cl)cc1Cl ZINC001355872921 1067595974 /nfs/dbraw/zinc/59/59/74/1067595974.db2.gz WHLIUVIVEGBITA-SZNDQCEHSA-N 1 1 453.366 4.030 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1F ZINC001355883141 1067597855 /nfs/dbraw/zinc/59/78/55/1067597855.db2.gz NCBKIEMKJXINJK-JOCHJYFZSA-N 1 1 452.530 4.277 20 0 JIADMO COc1ccc(-c2nnc(N3CCS[C@H](C)C3)n2CC[N@@H+](C)C2CCCCC2)cc1OC ZINC001300088895 1067639428 /nfs/dbraw/zinc/63/94/28/1067639428.db2.gz NKQUBWJJCSBKMC-GOSISDBHSA-N 1 1 459.660 4.169 20 0 JIADMO 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 1067645044 /nfs/dbraw/zinc/64/50/44/1067645044.db2.gz ZEJDVVCCOIENID-VWPQPMDRSA-N 1 1 498.672 4.178 20 0 JIADMO COc1ccc([C@H]2CCCN2c2nnc(C(C)(C)C)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001300093772 1067653969 /nfs/dbraw/zinc/65/39/69/1067653969.db2.gz AJNRQUMJOALFEE-XMMPIXPASA-N 1 1 468.690 4.199 20 0 JIADMO COc1ccc([C@@H]2CCCN2c2nnc(C(C)(C)C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300094113 1067655424 /nfs/dbraw/zinc/65/54/24/1067655424.db2.gz FNGCYPFPQHIHLR-GOTSBHOMSA-N 1 1 455.647 4.283 20 0 JIADMO COc1ccc([C@H]2CCCN2c2nnc(C(C)(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001300094364 1067656600 /nfs/dbraw/zinc/65/66/00/1067656600.db2.gz KSOCENOLRVWIHT-PKTZIBPZSA-N 1 1 455.647 4.283 20 0 JIADMO COc1ccc([C@@H]2CCCN2c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001300095523 1067658950 /nfs/dbraw/zinc/65/89/50/1067658950.db2.gz WHNVPLGCHBFVOZ-OZXSUGGESA-N 1 1 471.646 4.009 20 0 JIADMO COc1ccc(C2CCN(c3nnc(CC(C)C)n3C[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)cc1 ZINC001300099541 1067671542 /nfs/dbraw/zinc/67/15/42/1067671542.db2.gz HFHJVJHSYWRQOO-VWLOTQADSA-N 1 1 469.674 4.226 20 0 JIADMO COc1ccc([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[N@H+]3CCCO[C@@H](C)C3)C2)cc1 ZINC001300099579 1067671570 /nfs/dbraw/zinc/67/15/70/1067671570.db2.gz HYQWRUAUXFTYMB-JTHBVZDNSA-N 1 1 469.674 4.370 20 0 JIADMO CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC001356231940 1067701755 /nfs/dbraw/zinc/70/17/55/1067701755.db2.gz RGXBFSMTDXRCCY-QFIPXVFZSA-N 1 1 453.583 4.002 20 0 JIADMO COc1ccc(CCc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001300108092 1067702746 /nfs/dbraw/zinc/70/27/46/1067702746.db2.gz ZVXRWXROMXQNIB-GMAHTHKFSA-N 1 1 469.674 4.198 20 0 JIADMO COc1ccc(CCc2nnc(N3CC=C(C)CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001300113442 1067718590 /nfs/dbraw/zinc/71/85/90/1067718590.db2.gz JRMMCGYKUCNXDM-SZPZYZBQSA-N 1 1 467.658 4.116 20 0 JIADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(C)(C)Cc3ccc(Br)cc3)cc2)CC1 ZINC001356299910 1067719299 /nfs/dbraw/zinc/71/92/99/1067719299.db2.gz RIIXQRZHBRSPHJ-UHFFFAOYSA-N 1 1 458.400 4.044 20 0 JIADMO COc1ccc(CCc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC001300113730 1067719673 /nfs/dbraw/zinc/71/96/73/1067719673.db2.gz HTLRPUHKEHKMSS-VXKWHMMOSA-N 1 1 469.674 4.340 20 0 JIADMO CC1(C)CN(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)CC[N@H+]1Cc1ccccc1 ZINC001200135693 1067726249 /nfs/dbraw/zinc/72/62/49/1067726249.db2.gz FJXKTAWLIIVRNL-UHFFFAOYSA-N 1 1 454.468 4.489 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=S)Nc1ccc(C)cc1Br)C2 ZINC001200144021 1067748279 /nfs/dbraw/zinc/74/82/79/1067748279.db2.gz IMNKJNGIQRFAJB-DYESRHJHSA-N 1 1 452.462 4.135 20 0 JIADMO COc1ccc(CCc2nnc(N3CCS[C@@H](C(C)C)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001300127768 1067759696 /nfs/dbraw/zinc/75/96/96/1067759696.db2.gz AQHDNIKTYSGIAH-XUZZJYLKSA-N 1 1 471.715 4.382 20 0 JIADMO COc1ccc(CCc2nnc(N3CCSC[C@@H]3C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300128771 1067762403 /nfs/dbraw/zinc/76/24/03/1067762403.db2.gz VIUQORLNTXMQHK-UGKGYDQZSA-N 1 1 457.688 4.134 20 0 JIADMO C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C[N@H+]1Cc1ccccc1 ZINC001356503757 1067765821 /nfs/dbraw/zinc/76/58/21/1067765821.db2.gz TULPLUIKNFGVQC-BAJOOJPFSA-N 1 1 472.427 4.339 20 0 JIADMO C[C@@H]1C[C@@H](CCNC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC001356503062 1067766029 /nfs/dbraw/zinc/76/60/29/1067766029.db2.gz RJCIIIGOSFQNKF-SJLPKXTDSA-N 1 1 454.514 4.011 20 0 JIADMO COc1ccc(CCCN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001300132100 1067769735 /nfs/dbraw/zinc/76/97/35/1067769735.db2.gz VEHFTGRKYAMLAN-JOCHJYFZSA-N 1 1 450.631 4.471 20 0 JIADMO CCOC(=O)c1sc(N(C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C2CC2)nc1C ZINC001352894189 1067788838 /nfs/dbraw/zinc/78/88/38/1067788838.db2.gz SFXAMAKEMYAFPT-HOTGVXAUSA-N 1 1 457.596 4.047 20 0 JIADMO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc1 ZINC000488015721 1067805414 /nfs/dbraw/zinc/80/54/14/1067805414.db2.gz SKEHBAPQOGYDPZ-QHCPKHFHSA-N 1 1 464.635 4.273 20 0 JIADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)c1 ZINC001357128755 1067807659 /nfs/dbraw/zinc/80/76/59/1067807659.db2.gz ZQHFWRHDSXRSEC-LJQANCHMSA-N 1 1 458.440 4.062 20 0 JIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)c1 ZINC001357128755 1067807661 /nfs/dbraw/zinc/80/76/61/1067807661.db2.gz ZQHFWRHDSXRSEC-LJQANCHMSA-N 1 1 458.440 4.062 20 0 JIADMO NC(=O)C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001473230814 1067811665 /nfs/dbraw/zinc/81/16/65/1067811665.db2.gz SUDTWXOGJPUOSM-QHCPKHFHSA-N 1 1 458.480 4.305 20 0 JIADMO NC(=O)C[N@H+](Cc1ccc(OCc2ccccc2)cc1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001473230814 1067811669 /nfs/dbraw/zinc/81/16/69/1067811669.db2.gz SUDTWXOGJPUOSM-QHCPKHFHSA-N 1 1 458.480 4.305 20 0 JIADMO 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 1067818145 /nfs/dbraw/zinc/81/81/45/1067818145.db2.gz MWTQGUSCZZIFAY-HDICACEKSA-N 1 1 456.656 4.016 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3cccnc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1F ZINC001300163993 1067821083 /nfs/dbraw/zinc/82/10/83/1067821083.db2.gz GAKDMQDEUWAMJC-JOCHJYFZSA-N 1 1 452.578 4.245 20 0 JIADMO COc1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2CCC[N@@H+](C)C2CCCCC2)cc1C ZINC001300165775 1067824194 /nfs/dbraw/zinc/82/41/94/1067824194.db2.gz LEPCPDWYDQOBHX-UHFFFAOYSA-N 1 1 465.646 4.287 20 0 JIADMO C[NH+](C)[C@@H](C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1)c1cccc(Cl)c1 ZINC001353021461 1067836287 /nfs/dbraw/zinc/83/62/87/1067836287.db2.gz NCHUKBOYWKDGQK-XMMPIXPASA-N 1 1 450.970 4.073 20 0 JIADMO COc1ccc(CN(C)c2nnc(CC3CCCC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001300179679 1067842635 /nfs/dbraw/zinc/84/26/35/1067842635.db2.gz DMNLPRSUPJBSEZ-SZPZYZBQSA-N 1 1 469.674 4.464 20 0 JIADMO C[C@@H](c1ccc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1)[NH+]1CCOCC1 ZINC001353055249 1067846904 /nfs/dbraw/zinc/84/69/04/1067846904.db2.gz CGZCOZOKGKGVIS-WMZHIEFXSA-N 1 1 453.583 4.327 20 0 JIADMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC001300188534 1067851707 /nfs/dbraw/zinc/85/17/07/1067851707.db2.gz HSCTZOPKGKGZLP-RBUKOAKNSA-N 1 1 452.382 4.197 20 0 JIADMO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(NS(=O)(=O)c3ccc(Cl)c4ccccc43)CC2)C1 ZINC001200215702 1067851937 /nfs/dbraw/zinc/85/19/37/1067851937.db2.gz WDECVCQYRDKKTB-GOSISDBHSA-N 1 1 494.057 4.245 20 0 JIADMO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(NS(=O)(=O)c3ccc(Cl)c4ccccc43)CC2)C1 ZINC001200215703 1067852025 /nfs/dbraw/zinc/85/20/25/1067852025.db2.gz WDECVCQYRDKKTB-SFHVURJKSA-N 1 1 494.057 4.245 20 0 JIADMO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC001473277442 1067852900 /nfs/dbraw/zinc/85/29/00/1067852900.db2.gz JJQZNKZRVWQCKD-WMZOPIPTSA-N 1 1 455.418 4.430 20 0 JIADMO COc1ccc(Cn2c(C)nnc2N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1Br ZINC001300190843 1067853114 /nfs/dbraw/zinc/85/31/14/1067853114.db2.gz YCZTVQPNXLHLJO-PXNSSMCTSA-N 1 1 476.463 4.497 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001492557651 1067872057 /nfs/dbraw/zinc/87/20/57/1067872057.db2.gz RPBANRCYRZJWEH-JOCHJYFZSA-N 1 1 466.674 4.402 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)Cc2ncnn2CC(F)F)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001492557934 1067874045 /nfs/dbraw/zinc/87/40/45/1067874045.db2.gz BTVWODYMUFLQHQ-SFHVURJKSA-N 1 1 486.615 4.257 20 0 JIADMO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c(OC)c1 ZINC001473291786 1067875529 /nfs/dbraw/zinc/87/55/29/1067875529.db2.gz JDSGFIGNTPRMIO-OFNKIYASSA-N 1 1 454.542 4.244 20 0 JIADMO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c(OC)c1 ZINC001473291786 1067875530 /nfs/dbraw/zinc/87/55/30/1067875530.db2.gz JDSGFIGNTPRMIO-OFNKIYASSA-N 1 1 454.542 4.244 20 0 JIADMO CC[C@H](Cc1ccccc1Br)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001357614440 1067877424 /nfs/dbraw/zinc/87/74/24/1067877424.db2.gz SQCKYVKKBQSUPH-QGZVFWFLSA-N 1 1 458.400 4.044 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001492559514 1067885053 /nfs/dbraw/zinc/88/50/53/1067885053.db2.gz DDPKTAWUTXBSGS-PSWAGMNNSA-N 1 1 482.717 4.454 20 0 JIADMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)COC(c3ccccc3)c3ccccc3)cc2)CC1 ZINC001357805177 1067904321 /nfs/dbraw/zinc/90/43/21/1067904321.db2.gz ORQTUNKTOLRENU-UHFFFAOYSA-N 1 1 457.574 4.095 20 0 JIADMO COc1ccc(Cl)cc1CN(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001300238077 1067938068 /nfs/dbraw/zinc/93/80/68/1067938068.db2.gz YFFBDFWBPWZLRR-VQTJNVASSA-N 1 1 476.065 4.448 20 0 JIADMO CCCN(C(=O)C[C@@H](NC(C)=O)c1ccc(F)cc1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357960747 1067960789 /nfs/dbraw/zinc/96/07/89/1067960789.db2.gz YLBTZJUMEQCNBF-WIOPSUGQSA-N 1 1 457.565 4.435 20 0 JIADMO Cc1ccc(NC(=O)CCN(C(=O)OC(C)(C)C)C2CC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001358011529 1067984603 /nfs/dbraw/zinc/98/46/03/1067984603.db2.gz MZVOKOGFSNIABW-UHFFFAOYSA-N 1 1 458.603 4.148 20 0 JIADMO CC(C)COC(=O)N1CCC(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001358038597 1068000372 /nfs/dbraw/zinc/00/03/72/1068000372.db2.gz JDWPIUURNOMROI-GHTZIAJQSA-N 1 1 453.986 4.093 20 0 JIADMO COc1ccc(OC)c(CCCn2c(-c3cccc(C)n3)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001300254154 1068010676 /nfs/dbraw/zinc/01/06/76/1068010676.db2.gz NSLOZBAMQQUTMW-UHFFFAOYSA-N 1 1 478.641 4.219 20 0 JIADMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)C(F)(F)c3ccc(OCC(=O)N(C)C)cc3)c2C1 ZINC001358122456 1068024657 /nfs/dbraw/zinc/02/46/57/1068024657.db2.gz SWUDZWXRFJTZBB-UHFFFAOYSA-N 1 1 459.537 4.246 20 0 JIADMO Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)cnn1-c1cc[nH+]cc1 ZINC001358134194 1068027757 /nfs/dbraw/zinc/02/77/57/1068027757.db2.gz ITKXWLURRADRBG-HUUCEWRRSA-N 1 1 459.472 4.460 20 0 JIADMO COc1ccc(OCc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC001300263978 1068032297 /nfs/dbraw/zinc/03/22/97/1068032297.db2.gz CDWLHFJZOIEYFU-XPWALMASSA-N 1 1 485.673 4.382 20 0 JIADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cc4cc(C(F)(F)F)ccc4n3C)cc2)CC1 ZINC001358257814 1068053053 /nfs/dbraw/zinc/05/30/53/1068053053.db2.gz XCWCOSHPGWRAOR-UHFFFAOYSA-N 1 1 458.484 4.227 20 0 JIADMO Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001358282659 1068059440 /nfs/dbraw/zinc/05/94/40/1068059440.db2.gz JFQGQGHBMZZZMO-JWQCQUIFSA-N 1 1 463.622 4.200 20 0 JIADMO COc1ccc(OCc2nnc(N3CCC[C@@H]3CSC)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001300280107 1068069890 /nfs/dbraw/zinc/06/98/90/1068069890.db2.gz BRCREJXSSYLJIS-DENIHFKCSA-N 1 1 473.687 4.318 20 0 JIADMO O=C(C[NH2+][C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1)NC1CCC2(CC1)OCCO2 ZINC001473366671 1068074825 /nfs/dbraw/zinc/07/48/25/1068074825.db2.gz WSWXQGSCWYYYDJ-MRXNPFEDSA-N 1 1 454.411 4.090 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001492565409 1068078839 /nfs/dbraw/zinc/07/88/39/1068078839.db2.gz DQROYAPPMAGPAZ-VXKWHMMOSA-N 1 1 466.674 4.117 20 0 JIADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3(Cc4cccc(Cl)c4)CCCC3)cc2)CC1 ZINC001358384230 1068079970 /nfs/dbraw/zinc/07/99/70/1068079970.db2.gz FSBFGKOQLZNCPG-UHFFFAOYSA-N 1 1 454.014 4.398 20 0 JIADMO COc1ccc(OCc2nnc(N3CCC[C@@H]3CSC)n2CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001300286466 1068085787 /nfs/dbraw/zinc/08/57/87/1068085787.db2.gz WOCJRPAAOJUTQC-HXUWFJFHSA-N 1 1 473.687 4.320 20 0 JIADMO Cc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nnn1Cc1ccc(F)cc1 ZINC001358488469 1068110958 /nfs/dbraw/zinc/11/09/58/1068110958.db2.gz FIJDZIVYWZUDNX-QFIPXVFZSA-N 1 1 455.965 4.212 20 0 JIADMO Cc1c(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)nnn1Cc1ccc(F)cc1 ZINC001358488469 1068111022 /nfs/dbraw/zinc/11/10/22/1068111022.db2.gz FIJDZIVYWZUDNX-QFIPXVFZSA-N 1 1 455.965 4.212 20 0 JIADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](Sc2ccc(C)cc2C)c2ccccc2)CC1 ZINC001353449447 1068141400 /nfs/dbraw/zinc/14/14/00/1068141400.db2.gz DTUDLFHGHPHRPJ-RUZDIDTESA-N 1 1 453.652 4.244 20 0 JIADMO CC(=O)N(c1nc(CN2CCN(c3[nH]cc[nH+]3)CC2)cs1)c1ccc(Cl)c(Cl)c1 ZINC001473435836 1068166339 /nfs/dbraw/zinc/16/63/39/1068166339.db2.gz DMDTUQOIKNNCFR-UHFFFAOYSA-N 1 1 451.383 4.180 20 0 JIADMO CCS(=O)(=O)c1cccc(NC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC001200355659 1068212336 /nfs/dbraw/zinc/21/23/36/1068212336.db2.gz GFZUQJQREOVTNX-FOIQADDNSA-N 1 1 453.967 4.087 20 0 JIADMO Cc1cc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(C)cc1I ZINC001473546890 1068234281 /nfs/dbraw/zinc/23/42/81/1068234281.db2.gz UKIGEQCWOKHZLY-MAUKXSAKSA-N 1 1 456.368 4.349 20 0 JIADMO Cc1cc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c(C)cc1I ZINC001473546890 1068234311 /nfs/dbraw/zinc/23/43/11/1068234311.db2.gz UKIGEQCWOKHZLY-MAUKXSAKSA-N 1 1 456.368 4.349 20 0 JIADMO CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2N(Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001473734447 1068279761 /nfs/dbraw/zinc/27/97/61/1068279761.db2.gz VIYGNXPJXYDRIL-QHCPKHFHSA-N 1 1 451.611 4.222 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC3CCN(C(C)=O)CC3)CC2)c1 ZINC001300334046 1068297114 /nfs/dbraw/zinc/29/71/14/1068297114.db2.gz DXOSXIAXZNBBBX-OAQYLSRUSA-N 1 1 496.700 4.017 20 0 JIADMO COc1cccc([C@H](C)N2CCN(c3nnc(C4CCC4)n3CCC[N@@H+](C)C(C)C)CC2)c1 ZINC001300334670 1068302997 /nfs/dbraw/zinc/30/29/97/1068302997.db2.gz IRFNWAHUFIBCIC-NRFANRHFSA-N 1 1 454.663 4.168 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCC3(O)CCC3)CC2)c1 ZINC001300335127 1068305626 /nfs/dbraw/zinc/30/56/26/1068305626.db2.gz MPEJEXSBYRSJMQ-HXUWFJFHSA-N 1 1 455.647 4.064 20 0 JIADMO COc1cccc([C@@H](C)[NH+]2CCN(c3nnc([C@H]4CCCCO4)n3CCCSC)CC2)c1 ZINC001300335907 1068309671 /nfs/dbraw/zinc/30/96/71/1068309671.db2.gz XEBWEOUWGFJVPM-DENIHFKCSA-N 1 1 459.660 4.165 20 0 JIADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001545693936 1068316465 /nfs/dbraw/zinc/31/64/65/1068316465.db2.gz GZUPDKPAQCGILM-WMTXJRDZSA-N 1 1 489.668 4.134 20 0 JIADMO CC[C@H](C)NC(=O)CCn1c(-c2ccccn2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001545693935 1068316565 /nfs/dbraw/zinc/31/65/65/1068316565.db2.gz GZUPDKPAQCGILM-FIXSFTCYSA-N 1 1 489.668 4.134 20 0 JIADMO O=C(Nc1nnc(SCc2ccc(F)cc2)s1)N1CC[NH+](CCc2cccs2)CC1 ZINC000521197907 1068330813 /nfs/dbraw/zinc/33/08/13/1068330813.db2.gz RWCSMWKVUVMHKT-UHFFFAOYSA-N 1 1 463.629 4.423 20 0 JIADMO O=C(Nc1nnc(Cc2ccc(F)cc2)s1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000522761525 1068341086 /nfs/dbraw/zinc/34/10/86/1068341086.db2.gz MIKZLAVEUHFULU-UHFFFAOYSA-N 1 1 461.513 4.332 20 0 JIADMO COc1cccc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001300359829 1068383956 /nfs/dbraw/zinc/38/39/56/1068383956.db2.gz HKKKELDXDGAVFO-OFNKIYASSA-N 1 1 455.647 4.470 20 0 JIADMO Cc1cccc(C(C)C)c1NC(=S)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC001200398966 1068384482 /nfs/dbraw/zinc/38/44/82/1068384482.db2.gz AANWKAJLJPBRSD-MUUNZHRXSA-N 1 1 491.705 4.315 20 0 JIADMO COc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001300377804 1068457797 /nfs/dbraw/zinc/45/77/97/1068457797.db2.gz LXUCIKZDTRQMTD-LEWJYISDSA-N 1 1 498.672 4.179 20 0 JIADMO COc1cccc(-c2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2CCOC(C)(C)C)c1 ZINC001300388131 1068495809 /nfs/dbraw/zinc/49/58/09/1068495809.db2.gz FPJXJSQWDHHXME-UHFFFAOYSA-N 1 1 455.628 4.153 20 0 JIADMO Cc1cc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)c(Br)s1 ZINC001353735697 1068527301 /nfs/dbraw/zinc/52/73/01/1068527301.db2.gz QSRFFYSKNNYYLK-MRXNPFEDSA-N 1 1 450.402 4.238 20 0 JIADMO COc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCCCn2cc[nH+]c2C)c1 ZINC001300397509 1068538881 /nfs/dbraw/zinc/53/88/81/1068538881.db2.gz HROOZEZWSVRNTN-NRFANRHFSA-N 1 1 495.628 4.042 20 0 JIADMO COc1cccc([C@@H]2CCCN2c2nnc(C(C)(C)C)n2CC2CCN(CC[NH+](C)C)CC2)c1 ZINC001300397980 1068541115 /nfs/dbraw/zinc/54/11/15/1068541115.db2.gz AVQLNOQALHVLCT-DEOSSOPVSA-N 1 1 468.690 4.199 20 0 JIADMO COc1cccc(CN(C)c2nnc(Cc3ccncc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001300420617 1068632631 /nfs/dbraw/zinc/63/26/31/1068632631.db2.gz DEHFUXLXTDIJQO-NRFANRHFSA-N 1 1 462.642 4.419 20 0 JIADMO COc1cccc(CO[C@H]2CCN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC001300434682 1068692627 /nfs/dbraw/zinc/69/26/27/1068692627.db2.gz HJZXZBNQZNAQOJ-FBLLAGFSSA-N 1 1 499.700 4.170 20 0 JIADMO COc1cccc(OCC[NH+]2CCN(c3nnc(C(C)C)n3C[C@@H]3CCCO[C@H]3C(C)(C)C)CC2)c1 ZINC001300452681 1068761889 /nfs/dbraw/zinc/76/18/89/1068761889.db2.gz ZXDFUMONSAIBGQ-WIOPSUGQSA-N 1 1 499.700 4.452 20 0 JIADMO COc1ccccc1[C@@H](Cn1c(CC(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)OC(C)C ZINC001300458169 1068784482 /nfs/dbraw/zinc/78/44/82/1068784482.db2.gz MKRYEFSWXJYVSH-ATIYNZHBSA-N 1 1 499.700 4.341 20 0 JIADMO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+]Cc3nc4c(s3)C[C@@H](C)CC4)c2)cc1 ZINC001200515933 1068804780 /nfs/dbraw/zinc/80/47/80/1068804780.db2.gz WRCPCWZGBKCZMP-INIZCTEOSA-N 1 1 457.621 4.367 20 0 JIADMO COc1ccccc1-c1nnc(N(Cc2cccs2)C(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001300473559 1068818153 /nfs/dbraw/zinc/81/81/53/1068818153.db2.gz GWBLVGYVNXPFCB-IBGZPJMESA-N 1 1 455.628 4.151 20 0 JIADMO CC(C)CC(=O)N1CCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001353994789 1068823508 /nfs/dbraw/zinc/82/35/08/1068823508.db2.gz XWMXJWLZTKFHST-NRFANRHFSA-N 1 1 453.549 4.167 20 0 JIADMO C[C@H](NC(=O)CC1CCCCC1)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001354000708 1068827096 /nfs/dbraw/zinc/82/70/96/1068827096.db2.gz WMNGHSPDQABFAD-WMZHIEFXSA-N 1 1 453.652 4.439 20 0 JIADMO C[C@H](NC(=O)CC1CCCCC1)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001354000708 1068827098 /nfs/dbraw/zinc/82/70/98/1068827098.db2.gz WMNGHSPDQABFAD-WMZHIEFXSA-N 1 1 453.652 4.439 20 0 JIADMO COc1cccc(CNC(=S)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c1OC ZINC001200528837 1068828042 /nfs/dbraw/zinc/82/80/42/1068828042.db2.gz VLZHCLARYMWBFH-UHFFFAOYSA-N 1 1 478.456 4.095 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C(C)C ZINC001492566785 1068828079 /nfs/dbraw/zinc/82/80/79/1068828079.db2.gz WANUMFKEKYVIRP-OAQYLSRUSA-N 1 1 470.662 4.429 20 0 JIADMO COc1cccc(CNC(=S)NC2CC[NH+](Cc3cccc(Br)c3)CC2)c1OC ZINC001200529030 1068828089 /nfs/dbraw/zinc/82/80/89/1068828089.db2.gz YKVADGGGBKNFBG-UHFFFAOYSA-N 1 1 478.456 4.095 20 0 JIADMO COc1ccccc1-c1nnc(N2CC(C)(C)OC(C)(C)C2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001300480368 1068832910 /nfs/dbraw/zinc/83/29/10/1068832910.db2.gz ZEUBJDBKWRGOSJ-VQTJNVASSA-N 1 1 455.647 4.468 20 0 JIADMO COc1cc(NC(=S)N2CCC[C@@]3(C2)COCC[N@H+](Cc2ccccn2)C3)c(OC)cc1Cl ZINC001200534607 1068843376 /nfs/dbraw/zinc/84/33/76/1068843376.db2.gz GVGAFNMROIPRJZ-XMMPIXPASA-N 1 1 491.057 4.064 20 0 JIADMO COc1cc(NC(=S)N2CCC[C@@]3(C2)COCC[N@@H+](Cc2ccccn2)C3)c(OC)cc1Cl ZINC001200534607 1068843377 /nfs/dbraw/zinc/84/33/77/1068843377.db2.gz GVGAFNMROIPRJZ-XMMPIXPASA-N 1 1 491.057 4.064 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001300485294 1068843436 /nfs/dbraw/zinc/84/34/36/1068843436.db2.gz HTLHWGHEIGTSOJ-HHHXNRCGSA-N 1 1 469.674 4.452 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001300485295 1068843565 /nfs/dbraw/zinc/84/35/65/1068843565.db2.gz HTLHWGHEIGTSOJ-MHZLTWQESA-N 1 1 469.674 4.452 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+](C)C1CCCC1 ZINC001300490477 1068854193 /nfs/dbraw/zinc/85/41/93/1068854193.db2.gz FEJPGSJJXKETFB-FQEVSTJZSA-N 1 1 498.672 4.179 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC=C(Br)C2)n1CCCCn1cc[nH+]c1C ZINC001300494691 1068862870 /nfs/dbraw/zinc/86/28/70/1068862870.db2.gz TVCFRFYWBYCVKZ-UHFFFAOYSA-N 1 1 471.403 4.428 20 0 JIADMO COC(=O)Nc1ccc(C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)c(C)c1 ZINC001354073007 1068879792 /nfs/dbraw/zinc/87/97/92/1068879792.db2.gz KOKODERSAOIODD-INIZCTEOSA-N 1 1 456.518 4.378 20 0 JIADMO COC(=O)Nc1ccc(C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)c(C)c1 ZINC001354073007 1068879794 /nfs/dbraw/zinc/87/97/94/1068879794.db2.gz KOKODERSAOIODD-INIZCTEOSA-N 1 1 456.518 4.378 20 0 JIADMO COc1ccccc1-c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001300506883 1068880292 /nfs/dbraw/zinc/88/02/92/1068880292.db2.gz XDVNTLRWZMDZSD-OAQYLSRUSA-N 1 1 494.606 4.149 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001300513744 1068894377 /nfs/dbraw/zinc/89/43/77/1068894377.db2.gz PIYQARBJJHEPPS-IFMALSPDSA-N 1 1 498.672 4.178 20 0 JIADMO COc1ccccc1-c1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001300514113 1068895797 /nfs/dbraw/zinc/89/57/97/1068895797.db2.gz XHNYZSNNVFXJEQ-WOJBJXKFSA-N 1 1 494.606 4.291 20 0 JIADMO COc1ccccc1-c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300518908 1068905061 /nfs/dbraw/zinc/90/50/61/1068905061.db2.gz SZSZWELGOCQFEU-QHAWAJNXSA-N 1 1 455.647 4.325 20 0 JIADMO COc1ccccc1[C@H]1CCCN1c1nnc(CC(C)(C)C)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001300523121 1068919509 /nfs/dbraw/zinc/91/95/09/1068919509.db2.gz DYESESSLLUJRJA-FYYLOGMGSA-N 1 1 469.674 4.454 20 0 JIADMO COc1ccccc1C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001300530635 1068940579 /nfs/dbraw/zinc/94/05/79/1068940579.db2.gz PTSZNLCSNPHJTR-RTWAWAEBSA-N 1 1 479.673 4.265 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001300533469 1068948871 /nfs/dbraw/zinc/94/88/71/1068948871.db2.gz WVILQTWBKSDTBL-RBBKRZOGSA-N 1 1 455.647 4.003 20 0 JIADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(=S)Nc3ccc(F)c(Cl)c3)C2)C1 ZINC001200584365 1068952640 /nfs/dbraw/zinc/95/26/40/1068952640.db2.gz ITIDYVWNNIYMFK-QFIPXVFZSA-N 1 1 467.010 4.395 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(=S)Nc3ccc(F)c(Cl)c3)C2)C1 ZINC001200584365 1068952656 /nfs/dbraw/zinc/95/26/56/1068952656.db2.gz ITIDYVWNNIYMFK-QFIPXVFZSA-N 1 1 467.010 4.395 20 0 JIADMO COc1ccccc1Cc1nnc(N(C)Cc2cnc(C)s2)n1CC[N@@H+](C)C1CCCC1 ZINC001300536735 1068957615 /nfs/dbraw/zinc/95/76/15/1068957615.db2.gz SJKFXEMABSILSC-UHFFFAOYSA-N 1 1 454.644 4.153 20 0 JIADMO C[N@H+]1CCC[C@H](CNC(=O)[C@H]2c3ccoc3CCN2C(=O)OC(C)(C)C)[C@@H]1c1cccs1 ZINC001354211729 1068981848 /nfs/dbraw/zinc/98/18/48/1068981848.db2.gz YVYCHXLWCBYTRP-MAODMQOUSA-N 1 1 459.612 4.375 20 0 JIADMO COc1ccccc1Cc1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001300548512 1068991746 /nfs/dbraw/zinc/99/17/46/1068991746.db2.gz NPTYHACNCKRLMQ-BGYRXZFFSA-N 1 1 457.688 4.330 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1Cc1cccc(Br)n1 ZINC001492586217 1069000625 /nfs/dbraw/zinc/00/06/25/1069000625.db2.gz ZJBDAHZGYWHFJD-UHFFFAOYSA-N 1 1 483.458 4.304 20 0 JIADMO Cc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001492569893 1069011718 /nfs/dbraw/zinc/01/17/18/1069011718.db2.gz LFSYMLLXHQMWOM-UHFFFAOYSA-N 1 1 475.703 4.025 20 0 JIADMO Cc1ccccc1Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001492588144 1069033315 /nfs/dbraw/zinc/03/33/15/1069033315.db2.gz KOFCMEHMZZWRCY-RBJSKKJNSA-N 1 1 483.701 4.056 20 0 JIADMO CC[NH+]1CCN(CCCCNC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)CC1 ZINC001200612514 1069036678 /nfs/dbraw/zinc/03/66/78/1069036678.db2.gz BRQGMPZDWPOZCM-UHFFFAOYSA-N 1 1 458.006 4.132 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCC[C@](C)(OC)CC2)n1CCCCn1cc[nH+]c1C ZINC001300563083 1069039742 /nfs/dbraw/zinc/03/97/42/1069039742.db2.gz MSIWRMLGDLSDNM-SANMLTNESA-N 1 1 466.630 4.258 20 0 JIADMO CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849482765 1069051094 /nfs/dbraw/zinc/05/10/94/1069051094.db2.gz SISZWNMICBCCGY-UXHICEINSA-N 1 1 494.467 4.418 20 0 JIADMO COc1cc(CN(C)C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1OCc1ccccc1 ZINC000849486373 1069051889 /nfs/dbraw/zinc/05/18/89/1069051889.db2.gz KHLLNWDWPHBQCR-FTJBHMTQSA-N 1 1 490.648 4.480 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2nc3ccc(Br)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849487147 1069052833 /nfs/dbraw/zinc/05/28/33/1069052833.db2.gz COKIXHFECLVPKT-CVEARBPZSA-N 1 1 462.417 4.245 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cn1 ZINC000849487877 1069053710 /nfs/dbraw/zinc/05/37/10/1069053710.db2.gz ATRHZMPKXVDHCW-RBUKOAKNSA-N 1 1 463.529 4.160 20 0 JIADMO CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849486658 1069053874 /nfs/dbraw/zinc/05/38/74/1069053874.db2.gz LLTSPUBMJGXXJG-XZOQPEGZSA-N 1 1 482.650 4.153 20 0 JIADMO COc1ccc(-c2csc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)cc1OC ZINC000849491872 1069060357 /nfs/dbraw/zinc/06/03/57/1069060357.db2.gz UYNBSCNUHYLYSZ-RBUKOAKNSA-N 1 1 469.611 4.013 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cn1 ZINC000849491772 1069060407 /nfs/dbraw/zinc/06/04/07/1069060407.db2.gz UDRRWBIDMSQAAO-VXKWHMMOSA-N 1 1 454.521 4.286 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)[C@@H](c2cnn(C)c2)C1 ZINC000849491771 1069060501 /nfs/dbraw/zinc/06/05/01/1069060501.db2.gz ANLXVGRRTCMDNJ-LEWJYISDSA-N 1 1 459.566 4.198 20 0 JIADMO COc1ccc(-c2csc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)n2)cc1OC ZINC000849491874 1069060525 /nfs/dbraw/zinc/06/05/25/1069060525.db2.gz UYNBSCNUHYLYSZ-RTBURBONSA-N 1 1 469.611 4.013 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cn1 ZINC000849493578 1069064768 /nfs/dbraw/zinc/06/47/68/1069064768.db2.gz YAEAQBPPZSLWBM-ROUUACIJSA-N 1 1 464.422 4.448 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2cccc(Br)c2)C2CC2)[C@H](c2cnn(C)c2)C1 ZINC000849495567 1069067497 /nfs/dbraw/zinc/06/74/97/1069067497.db2.gz DAWWJIGPOXKCMH-VXKWHMMOSA-N 1 1 459.432 4.188 20 0 JIADMO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc2sc(Br)cc2s1 ZINC001300568992 1069069195 /nfs/dbraw/zinc/06/91/95/1069069195.db2.gz CHUUHGGEZYESQC-CQSZACIVSA-N 1 1 451.411 4.222 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCCCN2c3ccccc3Sc3ccccc32)cn1 ZINC000849497457 1069069492 /nfs/dbraw/zinc/06/94/92/1069069492.db2.gz OCZPYSZWUVYPDB-RTWAWAEBSA-N 1 1 461.635 4.265 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)[C@H](c2cnn(C)c2)C1 ZINC000849496498 1069069507 /nfs/dbraw/zinc/06/95/07/1069069507.db2.gz KPTQDKZVZIUVFG-OALUTQOASA-N 1 1 469.973 4.371 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849499023 1069070431 /nfs/dbraw/zinc/07/04/31/1069070431.db2.gz CIIKLEMLFOKOCT-GSLIJJQTSA-N 1 1 488.611 4.281 20 0 JIADMO Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cn2)c1 ZINC000849502294 1069073810 /nfs/dbraw/zinc/07/38/10/1069073810.db2.gz ZPSDVIKKWHWUBF-BJKOFHAPSA-N 1 1 461.610 4.355 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849501893 1069074922 /nfs/dbraw/zinc/07/49/22/1069074922.db2.gz XWCIYHZHCLBBJL-GKBBYZSKSA-N 1 1 461.610 4.085 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)cn1 ZINC000849503372 1069077601 /nfs/dbraw/zinc/07/76/01/1069077601.db2.gz IGUYVCHXOAJTDF-RRPUWOKSSA-N 1 1 485.401 4.263 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849503410 1069077655 /nfs/dbraw/zinc/07/76/55/1069077655.db2.gz ITJLXENIUJMIOF-XZOQPEGZSA-N 1 1 477.584 4.193 20 0 JIADMO CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1Cl ZINC000849502668 1069078754 /nfs/dbraw/zinc/07/87/54/1069078754.db2.gz DMVJAVOSKPEYOK-FPOVZHCZSA-N 1 1 474.049 4.445 20 0 JIADMO CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)ccc1Cl ZINC000849502903 1069078767 /nfs/dbraw/zinc/07/87/67/1069078767.db2.gz FYXPTNUOVVHDFI-VWNXMTODSA-N 1 1 494.039 4.410 20 0 JIADMO 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 1069079598 /nfs/dbraw/zinc/07/95/98/1069079598.db2.gz YAAKRTSLGZJCCM-IRXDYDNUSA-N 1 1 481.519 4.460 20 0 JIADMO CCCN(CCC)C(=O)c1ccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000849503727 1069083459 /nfs/dbraw/zinc/08/34/59/1069083459.db2.gz KNDWKSIHHJCSHV-BJKOFHAPSA-N 1 1 453.631 4.135 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCC2(c3ccc(Br)cc3)CCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849506743 1069088938 /nfs/dbraw/zinc/08/89/38/1069088938.db2.gz NNYYICCNPVPXNL-FCHUYYIVSA-N 1 1 473.459 4.235 20 0 JIADMO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849508132 1069088995 /nfs/dbraw/zinc/08/89/95/1069088995.db2.gz HCEQUDRALAIPKB-WOJBJXKFSA-N 1 1 452.530 4.343 20 0 JIADMO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849510032 1069091744 /nfs/dbraw/zinc/09/17/44/1069091744.db2.gz GJZXNYYLXXNVPI-OYDLWJJNSA-N 1 1 465.642 4.196 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)[C@H](c2cnn(C)c2)C1 ZINC000849510678 1069095643 /nfs/dbraw/zinc/09/56/43/1069095643.db2.gz KXZTZLLYVFFOLY-CTNGQTDRSA-N 1 1 481.000 4.173 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](c2nc3ccccc3n2C)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849511576 1069096271 /nfs/dbraw/zinc/09/62/71/1069096271.db2.gz ZVYNJUJLDKTRDA-PPJWLVRDSA-N 1 1 470.621 4.027 20 0 JIADMO Cc1ccccc1-c1cc(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)n(Cc2ccccc2)n1 ZINC000849515676 1069102373 /nfs/dbraw/zinc/10/23/73/1069102373.db2.gz HGSNCGSOKFZNGU-LOSJGSFVSA-N 1 1 468.605 4.314 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)cn1 ZINC000849515604 1069102710 /nfs/dbraw/zinc/10/27/10/1069102710.db2.gz MFACATKPMFTGSO-VQTJNVASSA-N 1 1 464.591 4.017 20 0 JIADMO Cc1cccc(-c2cc(NC(=O)[C@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)n(-c3ccccc3)n2)c1 ZINC000849517453 1069103317 /nfs/dbraw/zinc/10/33/17/1069103317.db2.gz NXLFGPXPLUQFNY-BJKOFHAPSA-N 1 1 454.578 4.255 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849519452 1069107856 /nfs/dbraw/zinc/10/78/56/1069107856.db2.gz RLVAFJBDDDZCFJ-CLJLJLNGSA-N 1 1 485.632 4.005 20 0 JIADMO Cc1ccsc1C(=O)Nc1ccc(OC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849518877 1069108652 /nfs/dbraw/zinc/10/86/52/1069108652.db2.gz HQVVSAHYEMJVSI-VXKWHMMOSA-N 1 1 466.607 4.462 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849520427 1069110970 /nfs/dbraw/zinc/11/09/70/1069110970.db2.gz ZHDXHNBWLUSHDD-PKTZIBPZSA-N 1 1 458.566 4.318 20 0 JIADMO Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849519559 1069112394 /nfs/dbraw/zinc/11/23/94/1069112394.db2.gz KIAGFXSRVPNMIF-CCDWMCETSA-N 1 1 460.626 4.303 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)cn1 ZINC000849520620 1069113291 /nfs/dbraw/zinc/11/32/91/1069113291.db2.gz XRLJWKHLXZVURF-WOJBJXKFSA-N 1 1 470.371 4.044 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849520679 1069113575 /nfs/dbraw/zinc/11/35/75/1069113575.db2.gz YMDDKTAHGBRYMF-DNQXCXABSA-N 1 1 466.630 4.281 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849522793 1069116757 /nfs/dbraw/zinc/11/67/57/1069116757.db2.gz ORVRCIDDXRJXLE-RPBOFIJWSA-N 1 1 472.593 4.099 20 0 JIADMO 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 1069117933 /nfs/dbraw/zinc/11/79/33/1069117933.db2.gz LQHPQSWSMNRWPM-FHLIZLRMSA-N 1 1 451.384 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849525627 1069122327 /nfs/dbraw/zinc/12/23/27/1069122327.db2.gz RFSHWVDHYOVOSI-UPVQGACJSA-N 1 1 451.590 4.261 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)[C@H](c2cnn(C)c2)C1 ZINC000849527947 1069127083 /nfs/dbraw/zinc/12/70/83/1069127083.db2.gz XWTSWYPYSMSDOP-GOTSBHOMSA-N 1 1 480.634 4.300 20 0 JIADMO Cc1ccc([C@H](NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c2ccc(F)cc2Cl)cc1 ZINC000849527688 1069128200 /nfs/dbraw/zinc/12/82/00/1069128200.db2.gz XKRAHXYLZYDEON-SSPYTLHUSA-N 1 1 454.977 4.462 20 0 JIADMO CC(C)Cn1cc([C@@H]2N(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)CC23CCOCC3)cn1 ZINC000849533358 1069140204 /nfs/dbraw/zinc/14/02/04/1069140204.db2.gz BCIAIQWQYPSJAY-DQEYMECFSA-N 1 1 450.627 4.274 20 0 JIADMO COc1ccccc1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001300591242 1069154825 /nfs/dbraw/zinc/15/48/25/1069154825.db2.gz JYZFGEOMDRNPMC-CUNXSJBXSA-N 1 1 485.673 4.084 20 0 JIADMO COc1ccccc1CN(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1cc[nH+]c1C ZINC001300592729 1069161875 /nfs/dbraw/zinc/16/18/75/1069161875.db2.gz XIFTWWLMWIZUCI-UHFFFAOYSA-N 1 1 498.429 4.286 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849546412 1069180900 /nfs/dbraw/zinc/18/09/00/1069180900.db2.gz ANKNWJJTAHWNLJ-TZNXZYKKSA-N 1 1 470.683 4.454 20 0 JIADMO COc1ccc(CCN(CC(C)(C)C)C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849546297 1069181076 /nfs/dbraw/zinc/18/10/76/1069181076.db2.gz AKLHEMQEBLKWDK-RPBOFIJWSA-N 1 1 454.659 4.360 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849546413 1069181116 /nfs/dbraw/zinc/18/11/16/1069181116.db2.gz ANKNWJJTAHWNLJ-UTKFAANNSA-N 1 1 470.683 4.454 20 0 JIADMO CC(C)OC(=O)c1c2c(sc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)CCCC2 ZINC000849549243 1069186990 /nfs/dbraw/zinc/18/69/90/1069186990.db2.gz RLKVZSXEVFKANC-ICSRJNTNSA-N 1 1 472.655 4.378 20 0 JIADMO Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1C ZINC000849547556 1069187212 /nfs/dbraw/zinc/18/72/12/1069187212.db2.gz GJHSGHQSHNIGCV-VXKWHMMOSA-N 1 1 499.457 4.438 20 0 JIADMO COc1ccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1NC(=O)C1CCCCC1 ZINC000849548937 1069188517 /nfs/dbraw/zinc/18/85/17/1069188517.db2.gz QNIPAPAUXSDIDJ-GOTSBHOMSA-N 1 1 481.641 4.400 20 0 JIADMO Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)n1C ZINC000849553314 1069195124 /nfs/dbraw/zinc/19/51/24/1069195124.db2.gz RELPGMXNOTWPEA-LEWJYISDSA-N 1 1 499.457 4.344 20 0 JIADMO 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 1069199357 /nfs/dbraw/zinc/19/93/57/1069199357.db2.gz YJHCDVAQQYOWSQ-YUXAGFNASA-N 1 1 451.640 4.415 20 0 JIADMO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c2ccccc2Cl)cc1 ZINC000849555505 1069199509 /nfs/dbraw/zinc/19/95/09/1069199509.db2.gz ZHCAUIOCJRGEIK-SFLYRZDNSA-N 1 1 452.986 4.023 20 0 JIADMO COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)CCO2 ZINC000849557322 1069203105 /nfs/dbraw/zinc/20/31/05/1069203105.db2.gz YZVJMXKXZXNKNB-LGPLSSKUSA-N 1 1 474.605 4.017 20 0 JIADMO COc1cccc([C@H](NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)c2cc(F)ccc2OC)c1 ZINC000849556948 1069203327 /nfs/dbraw/zinc/20/33/27/1069203327.db2.gz DQSKHYATRJOVFR-HYZYYIOASA-N 1 1 494.611 4.296 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849555805 1069203515 /nfs/dbraw/zinc/20/35/15/1069203515.db2.gz TYCXSNIOGFHZFW-YADHBBJMSA-N 1 1 462.560 4.491 20 0 JIADMO CC[C@H](Cc1ccccc1Br)NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849560669 1069210116 /nfs/dbraw/zinc/21/01/16/1069210116.db2.gz DKADEKVCYKJMCU-NJDAHSKKSA-N 1 1 461.448 4.134 20 0 JIADMO C[NH+]1CCN(C(=O)C[C@@H]2CC3(CCN(C(=S)Nc4cc(F)cc(F)c4)CC3)c3ccccc32)CC1 ZINC001200664830 1069218474 /nfs/dbraw/zinc/21/84/74/1069218474.db2.gz ZAEGPSVKXISSAC-LJQANCHMSA-N 1 1 498.643 4.347 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)cn1 ZINC000849568447 1069219165 /nfs/dbraw/zinc/21/91/65/1069219165.db2.gz OJRGLYDGBQHOLL-FGZHOGPDSA-N 1 1 468.646 4.252 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)[C@@H](c2cnn(C)c2)C1 ZINC000849569436 1069220294 /nfs/dbraw/zinc/22/02/94/1069220294.db2.gz UCWOZBWDHPHQTL-FCHUYYIVSA-N 1 1 472.058 4.370 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)cn1 ZINC000849569679 1069221238 /nfs/dbraw/zinc/22/12/38/1069221238.db2.gz VPGIMNTWPIGKIV-NHCUHLMSSA-N 1 1 476.968 4.483 20 0 JIADMO CCOC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849569793 1069221419 /nfs/dbraw/zinc/22/14/19/1069221419.db2.gz VTXJIIZDDFNISG-QZTJIDSGSA-N 1 1 492.418 4.204 20 0 JIADMO CCOC(=O)c1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)ccc1Sc1ccccc1 ZINC000849571300 1069221902 /nfs/dbraw/zinc/22/19/02/1069221902.db2.gz FJCFHECQXGSUEZ-GMAHTHKFSA-N 1 1 478.618 4.422 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(Br)cc2C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849572384 1069223142 /nfs/dbraw/zinc/22/31/42/1069223142.db2.gz OGARFEFORJMIAK-ROUUACIJSA-N 1 1 487.364 4.332 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N(Cc2ccccc2)Cc2ccc(Br)cc2)cn1 ZINC000849571543 1069223400 /nfs/dbraw/zinc/22/34/00/1069223400.db2.gz JGPJPQFAKDSGOA-DNQXCXABSA-N 1 1 481.438 4.447 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)SC)CC1 ZINC001300614427 1069225061 /nfs/dbraw/zinc/22/50/61/1069225061.db2.gz AWLJHRXXHZKWSF-UHFFFAOYSA-N 1 1 455.628 4.319 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)[C@@H](c2cnn(C)c2)C1 ZINC000849573935 1069225345 /nfs/dbraw/zinc/22/53/45/1069225345.db2.gz VIJNYDBWINQEQV-ARNLJNQMSA-N 1 1 466.029 4.383 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)C(C)C)CC1 ZINC001300614634 1069225798 /nfs/dbraw/zinc/22/57/98/1069225798.db2.gz HEAJCUGLQXPMIX-UHFFFAOYSA-N 1 1 462.642 4.277 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CCC(C)C)CC1 ZINC001300614652 1069226308 /nfs/dbraw/zinc/22/63/08/1069226308.db2.gz ICFFMRKQXIDOPC-UHFFFAOYSA-N 1 1 454.644 4.011 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cn1 ZINC000849576316 1069228504 /nfs/dbraw/zinc/22/85/04/1069228504.db2.gz CLPLRJXGTBXYOI-WOJBJXKFSA-N 1 1 469.948 4.139 20 0 JIADMO 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 1069229049 /nfs/dbraw/zinc/22/90/49/1069229049.db2.gz LKMFFSDJZNHTCW-ACRUOGEOSA-N 1 1 465.411 4.403 20 0 JIADMO COc1ccccc1C[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCSC)CC1 ZINC001300615529 1069229192 /nfs/dbraw/zinc/22/91/92/1069229192.db2.gz USXRJDCCNDHGER-FYYLOGMGSA-N 1 1 487.714 4.281 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCc3c(Br)ccc(Cl)c3C2)[C@@H](c2cnn(C)c2)C1 ZINC000849578243 1069230007 /nfs/dbraw/zinc/23/00/07/1069230007.db2.gz LAWBMVJIFLUMAP-ZWKOTPCHSA-N 1 1 479.850 4.235 20 0 JIADMO 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 1069232462 /nfs/dbraw/zinc/23/24/62/1069232462.db2.gz CGIVYTAXJSMKSS-SFTDATJTSA-N 1 1 466.523 4.240 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N(C)Cc2cc(Br)ccc2Cl)[C@@H](c2cnn(C)c2)C1 ZINC000849581148 1069232557 /nfs/dbraw/zinc/23/25/57/1069232557.db2.gz FIFAUDYTYYQNAC-RTBURBONSA-N 1 1 467.839 4.309 20 0 JIADMO 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 1069232617 /nfs/dbraw/zinc/23/26/17/1069232617.db2.gz FLQPKBGHQQLOHE-SFTDATJTSA-N 1 1 450.549 4.347 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nc3cc(F)c(Br)cc3s2)[C@H](c2cnn(C)c2)C1 ZINC000849582030 1069233043 /nfs/dbraw/zinc/23/30/43/1069233043.db2.gz KDURYRVXCHZBGA-KBPBESRZSA-N 1 1 480.407 4.384 20 0 JIADMO COc1ccccc1O[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300618381 1069235142 /nfs/dbraw/zinc/23/51/42/1069235142.db2.gz DBDQEMRHVOTRKG-LJQANCHMSA-N 1 1 485.032 4.390 20 0 JIADMO 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 1069237802 /nfs/dbraw/zinc/23/78/02/1069237802.db2.gz QFDRGPHXBDPAHF-VBSBHUPXSA-N 1 1 477.422 4.198 20 0 JIADMO COc1ccccc1O[C@H](C)Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001300619819 1069239991 /nfs/dbraw/zinc/23/99/91/1069239991.db2.gz KMVHJHBGKLHENI-HXUWFJFHSA-N 1 1 469.655 4.336 20 0 JIADMO Cc1sc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000849588410 1069239994 /nfs/dbraw/zinc/23/99/94/1069239994.db2.gz XIKKZCRDVUEDGV-LEWJYISDSA-N 1 1 492.649 4.189 20 0 JIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(I)ccc1F ZINC001354466254 1069240872 /nfs/dbraw/zinc/24/08/72/1069240872.db2.gz PWPJELDHRFLRST-MRXNPFEDSA-N 1 1 452.311 4.024 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)cn1 ZINC000849591459 1069241909 /nfs/dbraw/zinc/24/19/09/1069241909.db2.gz IZJQNNNTQXMUBD-IEZWGBDMSA-N 1 1 468.816 4.164 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)[C@@H](c2cnn(C)c2)C1 ZINC000849590546 1069242742 /nfs/dbraw/zinc/24/27/42/1069242742.db2.gz BSLTWFGLWPSUFD-RBUKOAKNSA-N 1 1 463.598 4.050 20 0 JIADMO 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 1069242942 /nfs/dbraw/zinc/24/29/42/1069242942.db2.gz FPPWRORWWVXOMP-BHDDXSALSA-N 1 1 464.532 4.400 20 0 JIADMO 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 1069247087 /nfs/dbraw/zinc/24/70/87/1069247087.db2.gz IUTDSCXFBANAFI-ZEYPLWLESA-N 1 1 477.584 4.033 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849594691 1069247685 /nfs/dbraw/zinc/24/76/85/1069247685.db2.gz HIELFEIJNUUNKX-PMACEKPBSA-N 1 1 460.504 4.077 20 0 JIADMO Cc1sc(C2(NC(=O)[C@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)CCC2)nc1-c1ccccc1F ZINC000849596370 1069248464 /nfs/dbraw/zinc/24/84/64/1069248464.db2.gz MTZQFDBTXLUHKL-ICSRJNTNSA-N 1 1 467.614 4.222 20 0 JIADMO 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 1069248549 /nfs/dbraw/zinc/24/85/49/1069248549.db2.gz LQHPQSWSMNRWPM-BMGDILEWSA-N 1 1 451.384 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)[C@H](c2cnn(C)c2)C1 ZINC000849596092 1069249208 /nfs/dbraw/zinc/24/92/08/1069249208.db2.gz MVCHGNAMFBGFGT-UIOOFZCWSA-N 1 1 483.620 4.180 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849596868 1069253277 /nfs/dbraw/zinc/25/32/77/1069253277.db2.gz PWRYIKWBJPCAFB-RCZSKKKRSA-N 1 1 473.459 4.436 20 0 JIADMO 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 1069255022 /nfs/dbraw/zinc/25/50/22/1069255022.db2.gz LAZHPSPXZNTZDD-DHIUTWEWSA-N 1 1 467.614 4.123 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849599429 1069255541 /nfs/dbraw/zinc/25/55/41/1069255541.db2.gz NMEJWSJPHPOHPJ-ZWKOTPCHSA-N 1 1 469.577 4.116 20 0 JIADMO 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 1069256911 /nfs/dbraw/zinc/25/69/11/1069256911.db2.gz DDQOHZFUDQBQQN-GVAUOCQISA-N 1 1 495.668 4.055 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)[C@H](c2cnn(C)c2)C1 ZINC000849600757 1069258001 /nfs/dbraw/zinc/25/80/01/1069258001.db2.gz GDBBUUVNIFZGCV-ROUUACIJSA-N 1 1 460.504 4.077 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2Cc2ccccc2Br)[C@H](c2cnn(C)c2)C1 ZINC000849603563 1069261230 /nfs/dbraw/zinc/26/12/30/1069261230.db2.gz RBKFTAFRMBZOOJ-FKBYEOEOSA-N 1 1 473.459 4.230 20 0 JIADMO 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 1069263176 /nfs/dbraw/zinc/26/31/76/1069263176.db2.gz QMUDJXQSNWISAY-XPIZARPCSA-N 1 1 465.495 4.274 20 0 JIADMO 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 1069264202 /nfs/dbraw/zinc/26/42/02/1069264202.db2.gz MZKBQKIFPDFNLO-TZRRMPRUSA-N 1 1 495.668 4.107 20 0 JIADMO COc1ccccc1OCc1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001300628058 1069266735 /nfs/dbraw/zinc/26/67/35/1069266735.db2.gz PXBRSHVJAPMWKH-DNVJHFABSA-N 1 1 485.673 4.237 20 0 JIADMO Cc1ccccc1Cc1nnc(N(C)C[C@@H]2CCOC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492576700 1069268135 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COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccnc1C1SCCCS1)CC2 ZINC001164714280 720109664 /nfs/dbraw/zinc/10/96/64/720109664.db2.gz BIYCINOOZVFTLE-HXUWFJFHSA-N 1 1 471.696 4.248 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001164815934 720110305 /nfs/dbraw/zinc/11/03/05/720110305.db2.gz XPWXRAQIQWGRCP-QVKFZJNVSA-N 1 1 454.924 4.152 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c(F)cccc31)CC2 ZINC001164717405 720114227 /nfs/dbraw/zinc/11/42/27/720114227.db2.gz OMYROMYDYVWQQR-GOSISDBHSA-N 1 1 455.965 4.325 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001164716052 720114990 /nfs/dbraw/zinc/11/49/90/720114990.db2.gz ISSCULJPGJCPNR-GOSISDBHSA-N 1 1 454.924 4.322 20 0 JIADMO CCOC(=O)c1cc2ccccc2nc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164710406 720128032 /nfs/dbraw/zinc/12/80/32/720128032.db2.gz AXTOXCSZWCGFMC-HSZRJFAPSA-N 1 1 474.605 4.314 20 0 JIADMO 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20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4ccn(C(=O)c5ccccc5)c4n3)CC[C@@H]21 ZINC001164840837 720590411 /nfs/dbraw/zinc/59/04/11/720590411.db2.gz QYJTUOCOEQBAKY-DSITVLBTSA-N 1 1 468.605 4.299 20 0 JIADMO Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164835268 720605999 /nfs/dbraw/zinc/60/59/99/720605999.db2.gz AUYPLEBCKNNZDJ-RJGXRXQPSA-N 1 1 493.725 4.478 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843117 720616097 /nfs/dbraw/zinc/61/60/97/720616097.db2.gz WKMWKEBSVQYEDJ-CMKODMSKSA-N 1 1 487.986 4.311 20 0 JIADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-c4nc(-c5cccs5)no4)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840786 720625110 /nfs/dbraw/zinc/62/51/10/720625110.db2.gz QSCMONRRJKLBMR-PCCBWWKXSA-N 1 1 475.622 4.434 20 0 JIADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(-c4nc(-c5cccs5)no4)ccn3)CC[C@@H]21 ZINC001164840783 720625647 /nfs/dbraw/zinc/62/56/47/720625647.db2.gz 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/nfs/dbraw/zinc/37/44/55/721374455.db2.gz HFDWDHCKKGOIKH-SANMLTNESA-N 1 1 465.573 4.315 20 0 JIADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(-c4ccccc4F)cc3C)C2)C1 ZINC001164780622 721374456 /nfs/dbraw/zinc/37/44/56/721374456.db2.gz HFDWDHCKKGOIKH-SANMLTNESA-N 1 1 465.573 4.315 20 0 JIADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164780181 721376799 /nfs/dbraw/zinc/37/67/99/721376799.db2.gz FHTKZRPBTSBVET-CRICUBBOSA-N 1 1 452.603 4.195 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccccc5F)nc5ccc(F)cc54)C3)O2)CC1 ZINC001164890478 721397226 /nfs/dbraw/zinc/39/72/26/721397226.db2.gz NMUFQBNXVOHOOC-PIKZIKFNSA-N 1 1 493.602 4.340 20 0 JIADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C3)O2)CC1 ZINC001164896049 721431590 /nfs/dbraw/zinc/43/15/90/721431590.db2.gz QJTCUCYYAHAEJI-AUUYWEPGSA-N 1 1 483.818 4.352 20 0 JIADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164884914 721447982 /nfs/dbraw/zinc/44/79/82/721447982.db2.gz CKTPGVCWCLCXEJ-KOSHJBKYSA-N 1 1 464.988 4.240 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4cccc(Cl)c4)C3)O2)CC1 ZINC001164889854 721450072 /nfs/dbraw/zinc/45/00/72/721450072.db2.gz PNXOTGDZLSSPQJ-RDPSFJRHSA-N 1 1 492.451 4.341 20 0 JIADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164889678 721450553 /nfs/dbraw/zinc/45/05/53/721450553.db2.gz PEBBKQORWPRPAL-LVXARBLLSA-N 1 1 486.060 4.250 20 0 JIADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc1 ZINC001164890331 721451048 /nfs/dbraw/zinc/45/10/48/721451048.db2.gz QXNBJDUZVGNMDJ-ATIYNZHBSA-N 1 1 486.060 4.250 20 0 JIADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C3)O2)CC1 ZINC001164892751 721453379 /nfs/dbraw/zinc/45/33/79/721453379.db2.gz XVVUMQNJWDOMSL-WMZHIEFXSA-N 1 1 480.987 4.305 20 0 JIADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3cccc(F)c31)CC2 ZINC001164789358 721457362 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KPUYYKWKRANDDG-HXUWFJFHSA-N 1 1 485.698 4.052 20 0 JIADMO Cc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc(NC(=O)c2ccccc2)n1 ZINC001164795134 721501986 /nfs/dbraw/zinc/50/19/86/721501986.db2.gz DUYVLQUTRWCJMV-UHFFFAOYSA-N 1 1 456.594 4.313 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3ccccc3n2)[C@H]2CCCO[C@H]12 ZINC001164800623 721530948 /nfs/dbraw/zinc/53/09/48/721530948.db2.gz CSSLYGGQRGZJHB-ZCNNSNEGSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3ccccc3n2)[C@H]2CCCO[C@H]12 ZINC001164800623 721530953 /nfs/dbraw/zinc/53/09/53/721530953.db2.gz CSSLYGGQRGZJHB-ZCNNSNEGSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cccc(F)c3n2)[C@H]2CCCO[C@H]12 ZINC001164799196 721539209 /nfs/dbraw/zinc/53/92/09/721539209.db2.gz BCMGCIBCJYZCAO-NSHGMRRFSA-N 1 1 477.918 4.230 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)c3cccc(F)c3n2)[C@H]2CCCO[C@H]12 ZINC001164799196 721539212 /nfs/dbraw/zinc/53/92/12/721539212.db2.gz BCMGCIBCJYZCAO-NSHGMRRFSA-N 1 1 477.918 4.230 20 0 JIADMO COc1ccc(Oc2cc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc(C)n2)cc1 ZINC001164904662 721563575 /nfs/dbraw/zinc/56/35/75/721563575.db2.gz FCOQSOIGHOUMKM-WMZHIEFXSA-N 1 1 450.514 4.067 20 0 JIADMO COc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909873 721566034 /nfs/dbraw/zinc/56/60/34/721566034.db2.gz VBILYIBXBXNJQO-HKUYNNGSSA-N 1 1 470.932 4.412 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(F)ccc2-c2ccc(Cl)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164804351 721583431 /nfs/dbraw/zinc/58/34/31/721583431.db2.gz JQJUXDHEJUJDBK-KIFXHHALSA-N 1 1 453.949 4.199 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccc(Cl)nn3)ccc2F)[C@H]2CCCO[C@@H]12 ZINC001164799315 721583810 /nfs/dbraw/zinc/58/38/10/721583810.db2.gz AREHFVRKASNTJU-BGWNEDDSSA-N 1 1 453.949 4.199 20 0 JIADMO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904901 721585705 /nfs/dbraw/zinc/58/57/05/721585705.db2.gz HNMLENJFOLFZNZ-QFIPXVFZSA-N 1 1 464.944 4.353 20 0 JIADMO CCOC(=O)c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1Cl ZINC001164906274 721586481 /nfs/dbraw/zinc/58/64/81/721586481.db2.gz NBDZUONQGZPPEE-OAQYLSRUSA-N 1 1 450.917 4.044 20 0 JIADMO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc1 ZINC001164811530 721589454 /nfs/dbraw/zinc/58/94/54/721589454.db2.gz YDYWQPNRTORLJQ-AKIFATBCSA-N 1 1 465.985 4.494 20 0 JIADMO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc1 ZINC001164811530 721589456 /nfs/dbraw/zinc/58/94/56/721589456.db2.gz YDYWQPNRTORLJQ-AKIFATBCSA-N 1 1 465.985 4.494 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(F)c2)[C@H]2CCCO[C@H]12 ZINC001164811480 721589934 /nfs/dbraw/zinc/58/99/34/721589934.db2.gz XQUJUTUOJROFPJ-NNWRFLSQSA-N 1 1 469.948 4.325 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2cccc(F)c2)[C@H]2CCCO[C@H]12 ZINC001164811480 721589935 /nfs/dbraw/zinc/58/99/35/721589935.db2.gz XQUJUTUOJROFPJ-NNWRFLSQSA-N 1 1 469.948 4.325 20 0 JIADMO CC(C)NC(=O)C[C@@H]1CC2(CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC2)Oc2ccccc21 ZINC001164804271 721593584 /nfs/dbraw/zinc/59/35/84/721593584.db2.gz YEYXUDQXIUBCLK-JOCHJYFZSA-N 1 1 462.638 4.496 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)nc1 ZINC001165008037 721692005 /nfs/dbraw/zinc/69/20/05/721692005.db2.gz IBYCKMAGOCLFCX-VYRPMTAESA-N 1 1 463.626 4.426 20 0 JIADMO FC1(F)CCN(c2cncc(OCc3ccccc3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908012 721693183 /nfs/dbraw/zinc/69/31/83/721693183.db2.gz XZHLPHKHWMLXAN-XMMPIXPASA-N 1 1 451.521 4.188 20 0 JIADMO COC(=O)c1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cnc1Cl ZINC001164904066 721696664 /nfs/dbraw/zinc/69/66/64/721696664.db2.gz CVCXLUQRQIEJFV-HXUWFJFHSA-N 1 1 486.897 4.199 20 0 JIADMO COc1cccc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904956 721702461 /nfs/dbraw/zinc/70/24/61/721702461.db2.gz FWHPPMVCAWJNLP-QFIPXVFZSA-N 1 1 459.928 4.425 20 0 JIADMO COc1cc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2cc1OC ZINC001164904788 721708191 /nfs/dbraw/zinc/70/81/91/721708191.db2.gz DCQDWFXVDSYHRN-XMMPIXPASA-N 1 1 454.521 4.385 20 0 JIADMO COc1cc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2cc1OC ZINC001164904788 721708196 /nfs/dbraw/zinc/70/81/96/721708196.db2.gz DCQDWFXVDSYHRN-XMMPIXPASA-N 1 1 454.521 4.385 20 0 JIADMO O=C(c1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1)N1CCc2ccccc21 ZINC001164906984 721722541 /nfs/dbraw/zinc/72/25/41/721722541.db2.gz PDYYNFCJKLCAOA-MHZLTWQESA-N 1 1 489.570 4.417 20 0 JIADMO Cc1nc(C)c(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)s1 ZINC001164913380 721731403 /nfs/dbraw/zinc/73/14/03/721731403.db2.gz UWLNIPLTUMQKGX-QFIPXVFZSA-N 1 1 456.566 4.350 20 0 JIADMO Cc1ccc(-c2cc(C(F)(F)N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c(Cl)nn2)cc1 ZINC001165012515 721750912 /nfs/dbraw/zinc/75/09/12/721750912.db2.gz JWRHVOVMJCGQPD-UHFFFAOYSA-N 1 1 477.987 4.173 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)C2 ZINC001164909024 721754312 /nfs/dbraw/zinc/75/43/12/721754312.db2.gz CTWXGWLCGXMRGC-OAQYLSRUSA-N 1 1 493.999 4.362 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)C2 ZINC001164909024 721754318 /nfs/dbraw/zinc/75/43/18/721754318.db2.gz CTWXGWLCGXMRGC-OAQYLSRUSA-N 1 1 493.999 4.362 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@H](C(=O)NCCc4ccncc4)[C@H]3C2)nc1 ZINC001165012574 721754294 /nfs/dbraw/zinc/75/42/94/721754294.db2.gz FDFKBPYUBSVTCF-YAOOYPAMSA-N 1 1 491.680 4.004 20 0 JIADMO COc1cc2nc(Cl)c(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc2cc1OC ZINC001164910802 721755433 /nfs/dbraw/zinc/75/54/33/721755433.db2.gz RWEYQJLWRDBBAS-UHFFFAOYSA-N 1 1 479.968 4.483 20 0 JIADMO COc1cc2nc(Cl)c(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc2cc1OC ZINC001164910802 721755440 /nfs/dbraw/zinc/75/54/40/721755440.db2.gz RWEYQJLWRDBBAS-UHFFFAOYSA-N 1 1 479.968 4.483 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)C2 ZINC001164910807 721761188 /nfs/dbraw/zinc/76/11/88/721761188.db2.gz LGTXUCBJJUZALX-UHFFFAOYSA-N 1 1 469.545 4.098 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)C2 ZINC001164910807 721761192 /nfs/dbraw/zinc/76/11/92/721761192.db2.gz LGTXUCBJJUZALX-UHFFFAOYSA-N 1 1 469.545 4.098 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@H]43)c2c1C ZINC001165020508 721772183 /nfs/dbraw/zinc/77/21/83/721772183.db2.gz YERMKYRSIGILMV-RBUKOAKNSA-N 1 1 465.623 4.238 20 0 JIADMO O=C1[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]2CN1c1cccnc1 ZINC001165018348 721792081 /nfs/dbraw/zinc/79/20/81/721792081.db2.gz IBTSXAFKVMUUHW-NQIIRXRSSA-N 1 1 488.661 4.050 20 0 JIADMO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1Cl ZINC001165020388 721806189 /nfs/dbraw/zinc/80/61/89/721806189.db2.gz FLYAWYHCFGIKGT-ZYSHUDEJSA-N 1 1 464.944 4.198 20 0 JIADMO 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4.198 20 0 JIADMO COc1ccc(-c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)c(OC)c1OC ZINC001165018861 721828431 /nfs/dbraw/zinc/82/84/31/721828431.db2.gz AMGPKPVPRLXHTL-BPUDTRNYSA-N 1 1 489.620 4.301 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H](CC(=O)NC4CCC4)OC[C@@H]3C2)n1 ZINC001164929928 721897101 /nfs/dbraw/zinc/89/71/01/721897101.db2.gz ARKKSKJCKQBABS-CEWLAPEOSA-N 1 1 485.698 4.050 20 0 JIADMO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)CC2 ZINC001164947689 721978044 /nfs/dbraw/zinc/97/80/44/721978044.db2.gz QOVVQWWRRJTQOC-UHFFFAOYSA-N 1 1 481.959 4.032 20 0 JIADMO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(F)ccc1Oc1ccc(Cl)nn1)CC2 ZINC001164947689 721978049 /nfs/dbraw/zinc/97/80/49/721978049.db2.gz QOVVQWWRRJTQOC-UHFFFAOYSA-N 1 1 481.959 4.032 20 0 JIADMO COC[C@@]12COC[C@@H]1CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001164952845 721994524 /nfs/dbraw/zinc/99/45/24/721994524.db2.gz PWOQLLKGCXYGTE-FNZWTVRRSA-N 1 1 464.635 4.443 20 0 JIADMO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164959918 722024247 /nfs/dbraw/zinc/02/42/47/722024247.db2.gz JKIZIQPQAAUDSS-UHFFFAOYSA-N 1 1 460.916 4.217 20 0 JIADMO Cc1ccc(N2C[C@]3(CCN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C3)CC2=O)s1 ZINC001164962312 722043877 /nfs/dbraw/zinc/04/38/77/722043877.db2.gz ONIMVSQXAGJCKO-AREMUKBSSA-N 1 1 459.619 4.038 20 0 JIADMO Cc1ccc(N2C[C@]3(CCN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C3)CC2=O)s1 ZINC001164962312 722043880 /nfs/dbraw/zinc/04/38/80/722043880.db2.gz ONIMVSQXAGJCKO-AREMUKBSSA-N 1 1 459.619 4.038 20 0 JIADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5CCN(C(=O)c6ccco6)[C@H]5C3)n2)CCC4)CC1 ZINC001164958170 722048174 /nfs/dbraw/zinc/04/81/74/722048174.db2.gz MBLRDXZWWYPRMV-QUCCMNQESA-N 1 1 491.661 4.356 20 0 JIADMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5CCN(C(=O)c6ccco6)[C@@H]5C3)n2)CCC4)CC1 ZINC001164958172 722048201 /nfs/dbraw/zinc/04/82/01/722048201.db2.gz MBLRDXZWWYPRMV-UYAOXDASSA-N 1 1 491.661 4.356 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3[C@@H](CCN3C(=O)c3ccco3)C2)n1 ZINC001164960764 722048260 /nfs/dbraw/zinc/04/82/60/722048260.db2.gz WJWLCSSEGRGZRE-ROUUACIJSA-N 1 1 453.612 4.094 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCc4onc(Cn5cccn5)c4C3)c2c1C ZINC001164958188 722050528 /nfs/dbraw/zinc/05/05/28/722050528.db2.gz DSXLEWNMOBNBLF-UHFFFAOYSA-N 1 1 463.611 4.090 20 0 JIADMO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959452 722053732 /nfs/dbraw/zinc/05/37/32/722053732.db2.gz JSBTYBZABQPDTD-UHFFFAOYSA-N 1 1 473.955 4.342 20 0 JIADMO Clc1cc(Cc2ccccc2)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164960650 722058174 /nfs/dbraw/zinc/05/81/74/722058174.db2.gz FWWNDDHEIYIYKJ-UHFFFAOYSA-N 1 1 464.013 4.235 20 0 JIADMO CCOc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)cc1 ZINC001164961545 722061158 /nfs/dbraw/zinc/06/11/58/722061158.db2.gz LPMVLAHXRJCKOG-UHFFFAOYSA-N 1 1 459.594 4.056 20 0 JIADMO O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164966346 722065081 /nfs/dbraw/zinc/06/50/81/722065081.db2.gz REWKGEPDLDQBNV-RTBURBONSA-N 1 1 494.690 4.116 20 0 JIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)n1 ZINC001164963651 722065245 /nfs/dbraw/zinc/06/52/45/722065245.db2.gz BVPXYBVDNGAZER-MSOLQXFVSA-N 1 1 470.668 4.100 20 0 JIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CC(C(=O)NC5CCC5)C[C@H]4C3)c2c1C ZINC001164973290 722085586 /nfs/dbraw/zinc/08/55/86/722085586.db2.gz NIBDVXPLQSKRGU-PMACEKPBSA-N 1 1 467.683 4.425 20 0 JIADMO O=C(Nc1ccc(Cl)nc1)c1ccc(F)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164981034 722118222 /nfs/dbraw/zinc/11/82/22/722118222.db2.gz SBWJTTNUAXDUPJ-RDPSFJRHSA-N 1 1 495.986 4.249 20 0 JIADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164978879 722141535 /nfs/dbraw/zinc/14/15/35/722141535.db2.gz KGDBQFWXTBTHQV-FTJBHMTQSA-N 1 1 482.632 4.219 20 0 JIADMO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981508 722146936 /nfs/dbraw/zinc/14/69/36/722146936.db2.gz PDPPHYSARDVLEK-WMZHIEFXSA-N 1 1 453.949 4.058 20 0 JIADMO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978900 722150471 /nfs/dbraw/zinc/15/04/71/722150471.db2.gz KOHXENJTABIESO-OFNKIYASSA-N 1 1 485.966 4.464 20 0 JIADMO c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)CC[C@H]3C2)c1 ZINC001164975164 722151128 /nfs/dbraw/zinc/15/11/28/722151128.db2.gz DZRQMWLRTCKPBI-LSYYVWMOSA-N 1 1 484.648 4.256 20 0 JIADMO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]cnc5c4ccn5C4CCCC4)CC[C@@H]32)cs1 ZINC001164987883 722182938 /nfs/dbraw/zinc/18/29/38/722182938.db2.gz IYGKCESZTYGCHP-FCHUYYIVSA-N 1 1 452.628 4.181 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C2)nc1 ZINC001164989777 722187335 /nfs/dbraw/zinc/18/73/35/722187335.db2.gz JWVWZKQJMUSCRG-SLQPCKNISA-N 1 1 482.694 4.201 20 0 JIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)c2cc(C(=O)NC(C)C)ccc2NC3=O)nc1 ZINC001164991473 722187975 /nfs/dbraw/zinc/18/79/75/722187975.db2.gz QTFTULPKYPQPEL-XMMPIXPASA-N 1 1 475.637 4.257 20 0 JIADMO CCOC(Cc1c(Cl)ncnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1)OCC ZINC001164996221 722199556 /nfs/dbraw/zinc/19/95/56/722199556.db2.gz RTJYAHBREQXGGN-DEOSSOPVSA-N 1 1 462.997 4.456 20 0 JIADMO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995957 722204960 /nfs/dbraw/zinc/20/49/60/722204960.db2.gz QLZLNOGKTKXJDS-HHHXNRCGSA-N 1 1 461.585 4.400 20 0 JIADMO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)[C@H]2C1 ZINC001164995306 722215736 /nfs/dbraw/zinc/21/57/36/722215736.db2.gz IBWRIUUXUUJOFQ-SESVDKBCSA-N 1 1 497.709 4.064 20 0 JIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1 ZINC001165005796 722270321 /nfs/dbraw/zinc/27/03/21/722270321.db2.gz KDQBEAZXOLJUAO-RPLLCQBOSA-N 1 1 465.617 4.085 20 0 JIADMO 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COCCO[C@H](C)c1nnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1Cc1nc(C)c(C)s1 ZINC001316174095 1065848957 /nfs/dbraw/zinc/84/89/57/1065848957.db2.gz FTUKHRALEPLYJL-PZJWPPBQSA-N 1 1 498.697 4.225 20 0 JIADMO COCCO[C@H](C)c1nnc(N2CCc3ccc(Cl)cc3C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001316184852 1065870228 /nfs/dbraw/zinc/87/02/28/1065870228.db2.gz QWQPJBAGOVGOHP-HSALFYBXSA-N 1 1 476.065 4.339 20 0 JIADMO COCCO[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1cccc(C(C)(F)F)c1 ZINC001316198755 1065895682 /nfs/dbraw/zinc/89/56/82/1065895682.db2.gz NDTLCCSPQHXEPU-LJQANCHMSA-N 1 1 479.616 4.473 20 0 JIADMO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCc1csc2ccccc12 ZINC001316200237 1065897670 /nfs/dbraw/zinc/89/76/70/1065897670.db2.gz QPABHDPKZAFUGE-FQEVSTJZSA-N 1 1 471.671 4.380 20 0 JIADMO COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001316218350 1065930817 /nfs/dbraw/zinc/93/08/17/1065930817.db2.gz WZPKDUYTHRXSOK-UIFIKXQLSA-N 1 1 499.553 4.298 20 0 JIADMO COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001316218597 1065931402 /nfs/dbraw/zinc/93/14/02/1065931402.db2.gz RSBLHNFGYPDDQG-KRXUUXHPSA-N 1 1 495.590 4.301 20 0 JIADMO 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 1066035864 /nfs/dbraw/zinc/03/58/64/1066035864.db2.gz JRNJVZXWSQCPCD-ISGSKPSGSA-N 1 1 461.695 4.243 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1CCC[N@@H+](C)C(C)C ZINC001316287113 1066044046 /nfs/dbraw/zinc/04/40/46/1066044046.db2.gz LDGAHEBTBIBQLY-GPXNEJASSA-N 1 1 455.647 4.035 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(F)F)C2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001316289318 1066048032 /nfs/dbraw/zinc/04/80/32/1066048032.db2.gz AQSBSXOBBQTHKC-ZJOUEHCJSA-N 1 1 469.621 4.138 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCCCCC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001316289261 1066048129 /nfs/dbraw/zinc/04/81/29/1066048129.db2.gz MYVMCGXCRHJXMM-NHTMILBNSA-N 1 1 455.647 4.293 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC[C@@H](SC)C2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001316291687 1066052528 /nfs/dbraw/zinc/05/25/28/1066052528.db2.gz LDVVVGPNIPAIIC-GPJHCHHRSA-N 1 1 479.735 4.092 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC2(C)C)n1CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001316293808 1066055612 /nfs/dbraw/zinc/05/56/12/1066055612.db2.gz WLGKHWBXRKSYSR-PMVMPFDFSA-N 1 1 455.647 4.292 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C)CC2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001316295095 1066056470 /nfs/dbraw/zinc/05/64/70/1066056470.db2.gz WQRLGVTVGCIBNE-NHTMILBNSA-N 1 1 455.647 4.151 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001316300479 1066060578 /nfs/dbraw/zinc/06/05/78/1066060578.db2.gz KJFWJNJQKNPYOO-XMHKDOOOSA-N 1 1 494.105 4.289 20 0 JIADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001316303821 1066064173 /nfs/dbraw/zinc/06/41/73/1066064173.db2.gz XKTKGSBOXGVOFE-ZDFPQIBNSA-N 1 1 495.590 4.159 20 0 JIADMO CO[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001316315011 1066071110 /nfs/dbraw/zinc/07/11/10/1066071110.db2.gz VWFVBFGKSNGLJY-RTBURBONSA-N 1 1 462.436 4.053 20 0 JIADMO 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 1066086715 /nfs/dbraw/zinc/08/67/15/1066086715.db2.gz VRZIBTGBDFPVHQ-IQFVJIFQSA-N 1 1 485.673 4.005 20 0 JIADMO CSC(C)(C)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001316364622 1066103263 /nfs/dbraw/zinc/10/32/63/1066103263.db2.gz JDMWJDAIHXQHOZ-QFBILLFUSA-N 1 1 494.503 4.006 20 0 JIADMO CSC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316365381 1066104951 /nfs/dbraw/zinc/10/49/51/1066104951.db2.gz NVVOXSFKOPWYJM-KDURUIRLSA-N 1 1 483.686 4.022 20 0 JIADMO CSC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001316365381 1066104968 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/nfs/dbraw/zinc/33/17/48/1066331748.db2.gz RUFJKVAXIWDTRJ-GOSISDBHSA-N 1 1 466.095 4.211 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)n2CC(C)(C)C(C)C)n1 ZINC001492510103 1066339656 /nfs/dbraw/zinc/33/96/56/1066339656.db2.gz HVFOPUGBNREFIP-UHFFFAOYSA-N 1 1 467.706 4.326 20 0 JIADMO CSCCCCCCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001316454751 1066341373 /nfs/dbraw/zinc/34/13/73/1066341373.db2.gz UZIFHBHRWQLRKW-RDGATRHJSA-N 1 1 498.741 4.247 20 0 JIADMO Cc1cccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[N@H+](C)C2CCCCC2)n1 ZINC001492513943 1066354757 /nfs/dbraw/zinc/35/47/57/1066354757.db2.gz HWPUKCAMOIYHJD-FQEVSTJZSA-N 1 1 480.579 4.461 20 0 JIADMO CSCCCn1c(-c2cccc(Br)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001316471489 1066378838 /nfs/dbraw/zinc/37/88/38/1066378838.db2.gz BVYONYKIBBWTMB-UHFFFAOYSA-N 1 1 482.492 4.008 20 0 JIADMO CSCCCn1c(-c2cccc(Br)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001316471489 1066378854 /nfs/dbraw/zinc/37/88/54/1066378854.db2.gz BVYONYKIBBWTMB-UHFFFAOYSA-N 1 1 482.492 4.008 20 0 JIADMO CCC[N@@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC001332750107 1066379190 /nfs/dbraw/zinc/37/91/90/1066379190.db2.gz JKISJOOZWCQXGG-CYBMUJFWSA-N 1 1 486.819 4.465 20 0 JIADMO CCC[N@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC001332750107 1066379210 /nfs/dbraw/zinc/37/92/10/1066379210.db2.gz JKISJOOZWCQXGG-CYBMUJFWSA-N 1 1 486.819 4.465 20 0 JIADMO CSCCCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001316471854 1066379376 /nfs/dbraw/zinc/37/93/76/1066379376.db2.gz MRQVPFREUYAIAK-QRVBRYPASA-N 1 1 489.690 4.012 20 0 JIADMO CSCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001316473908 1066381768 /nfs/dbraw/zinc/38/17/68/1066381768.db2.gz JKUPSZRBOJYQCF-OAHLLOKOSA-N 1 1 467.481 4.099 20 0 JIADMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)c3cc(Br)c(Cl)cc3OC)C2)ccn1 ZINC001334604093 1066397199 /nfs/dbraw/zinc/39/71/99/1066397199.db2.gz SWJVFBBGKQZFAF-INIZCTEOSA-N 1 1 482.806 4.251 20 0 JIADMO Cc1cccc(CC2(O)CCN(c3nnc(CC4CCCC4)n3CC[N@H+](C)C(C)C)CC2)c1 ZINC001492524887 1066398924 /nfs/dbraw/zinc/39/89/24/1066398924.db2.gz AXIODMQUKBQWDE-UHFFFAOYSA-N 1 1 453.675 4.233 20 0 JIADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2cccc(Cl)c2)n1CCOC(C)(C)C ZINC001316492483 1066431195 /nfs/dbraw/zinc/43/11/95/1066431195.db2.gz MGQDKCWWNNHPMK-GOSISDBHSA-N 1 1 462.038 4.103 20 0 JIADMO C[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CCCC[N@H+]2CCC[C@H]2CO)C[C@@H]1F ZINC001316492651 1066432498 /nfs/dbraw/zinc/43/24/98/1066432498.db2.gz PNCCAXYEQJBBGO-LMNJBCLMSA-N 1 1 482.069 4.255 20 0 JIADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2cccc(Cl)c2)n1CCC(C)(F)F ZINC001316492955 1066434080 /nfs/dbraw/zinc/43/40/80/1066434080.db2.gz WSXWRCGBMLDIPQ-MRXNPFEDSA-N 1 1 453.965 4.333 20 0 JIADMO C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)C[C@H](C)C1(F)F ZINC001316499696 1066457825 /nfs/dbraw/zinc/45/78/25/1066457825.db2.gz DFGFVZGCSPOWKN-PFRQMTDMSA-N 1 1 467.992 4.466 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C(C)(C)C)n2Cc2nc3cc(Cl)ccc3s2)C[C@H](C)O1 ZINC001316503651 1066470595 /nfs/dbraw/zinc/47/05/95/1066470595.db2.gz BLMSOUSAKQWQPV-IYBDPMFKSA-N 1 1 477.078 4.432 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C(C)(C)C)n2Cc2nc3cc(Cl)ccc3s2)C[C@H](C)O1 ZINC001316503651 1066470611 /nfs/dbraw/zinc/47/06/11/1066470611.db2.gz BLMSOUSAKQWQPV-IYBDPMFKSA-N 1 1 477.078 4.432 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(CC(C)(C)C)n2CCc2ccc3[nH]ccc3c2)C[C@H](C)O1 ZINC001316503755 1066471331 /nfs/dbraw/zinc/47/13/31/1066471331.db2.gz UEFLFTKYIKVSLV-BGYRXZFFSA-N 1 1 452.647 4.136 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(CC(C)(C)C)n2CCc2ccc3[nH]ccc3c2)C[C@H](C)O1 ZINC001316503755 1066471348 /nfs/dbraw/zinc/47/13/48/1066471348.db2.gz UEFLFTKYIKVSLV-BGYRXZFFSA-N 1 1 452.647 4.136 20 0 JIADMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C3CCCC3)n2Cc2c(F)cc(F)c(F)c2F)C[C@H](C)O1 ZINC001316503913 1066472027 /nfs/dbraw/zinc/47/20/27/1066472027.db2.gz VNAPWYJYKUIRKB-GASCZTMLSA-N 1 1 469.527 4.086 20 0 JIADMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C3CCCC3)n2Cc2c(F)cc(F)c(F)c2F)C[C@H](C)O1 ZINC001316503913 1066472038 /nfs/dbraw/zinc/47/20/38/1066472038.db2.gz VNAPWYJYKUIRKB-GASCZTMLSA-N 1 1 469.527 4.086 20 0 JIADMO FC(F)(Br)Cn1c(-c2cccnc2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001316507812 1066484750 /nfs/dbraw/zinc/48/47/50/1066484750.db2.gz CDJAVMQVJSPNQC-UHFFFAOYSA-N 1 1 477.357 4.040 20 0 JIADMO FC(F)COCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001316517892 1066518930 /nfs/dbraw/zinc/51/89/30/1066518930.db2.gz CYRKCYPRFUYLOK-SFHVURJKSA-N 1 1 484.389 4.054 20 0 JIADMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001338428631 1066553977 /nfs/dbraw/zinc/55/39/77/1066553977.db2.gz CIPKZGUWUQHKDC-LJQANCHMSA-N 1 1 496.409 4.303 20 0 JIADMO Cc1cccc(CN2CCN(c3nnc(CC(C)C)n3C[C@H](C(C)C)[NH+]3CCCC3)CC2)c1 ZINC001492534649 1066581605 /nfs/dbraw/zinc/58/16/05/1066581605.db2.gz JGQIJTWMTSULJC-RUZDIDTESA-N 1 1 452.691 4.228 20 0 JIADMO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001492536961 1066592691 /nfs/dbraw/zinc/59/26/91/1066592691.db2.gz MDFMYDCJCLLZHT-PWWKTKHKSA-N 1 1 496.700 4.123 20 0 JIADMO OC[C@@H]1CCC[N@H+]1CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001316585750 1066607758 /nfs/dbraw/zinc/60/77/58/1066607758.db2.gz XSZUIOSIYHYOPZ-QUCCMNQESA-N 1 1 467.992 4.317 20 0 JIADMO COC[C@]1(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)C1 ZINC001474663896 1066628030 /nfs/dbraw/zinc/62/80/30/1066628030.db2.gz UDHAPHLZTLCUBZ-IBGZPJMESA-N 1 1 450.320 4.231 20 0 JIADMO Cc1cccc(OCc2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001492541567 1066649344 /nfs/dbraw/zinc/64/93/44/1066649344.db2.gz HERMDCXXHYVNEO-UPVQGACJSA-N 1 1 469.674 4.395 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)n2CCC(=O)N(C)C)c1 ZINC001492543199 1066664169 /nfs/dbraw/zinc/66/41/69/1066664169.db2.gz CZDJLSLFRSSWNV-QHCPKHFHSA-N 1 1 496.700 4.125 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001492543831 1066675537 /nfs/dbraw/zinc/67/55/37/1066675537.db2.gz ZGKVMMUCINBUJL-HSZRJFAPSA-N 1 1 496.700 4.027 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC(OC(C)(C)C)CC3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001492544327 1066680845 /nfs/dbraw/zinc/68/08/45/1066680845.db2.gz LYAPGDUPUROCHA-NRFANRHFSA-N 1 1 455.647 4.434 20 0 JIADMO O=C(C[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC001347684068 1066684240 /nfs/dbraw/zinc/68/42/40/1066684240.db2.gz WCDHVLVHQNUIIU-HXUWFJFHSA-N 1 1 476.404 4.045 20 0 JIADMO O=C(C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)NCc1cccc(C(=O)NC2CC2)c1 ZINC001347684068 1066684246 /nfs/dbraw/zinc/68/42/46/1066684246.db2.gz WCDHVLVHQNUIIU-HXUWFJFHSA-N 1 1 476.404 4.045 20 0 JIADMO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)C1=O ZINC001317788668 1066688648 /nfs/dbraw/zinc/68/86/48/1066688648.db2.gz ZHHGCTWPQRRLKY-AREMUKBSSA-N 1 1 491.617 4.078 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001492544698 1066708938 /nfs/dbraw/zinc/70/89/38/1066708938.db2.gz WDQNSFACTSGVBF-RBUKOAKNSA-N 1 1 451.537 4.429 20 0 JIADMO Cc1cc(NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1N1CCCC1=O ZINC001317830234 1066716216 /nfs/dbraw/zinc/71/62/16/1066716216.db2.gz UZNIVRKMRQIDDK-BGYRXZFFSA-N 1 1 450.583 4.053 20 0 JIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)CC2)cc1 ZINC001317842754 1066725054 /nfs/dbraw/zinc/72/50/54/1066725054.db2.gz LKOWEOSJNPNTFX-OYRHEFFESA-N 1 1 454.590 4.488 20 0 JIADMO O=C(Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1N1CCCC1=O ZINC001317885797 1066754643 /nfs/dbraw/zinc/75/46/43/1066754643.db2.gz RZMUFIJIDCNVDX-UHFFFAOYSA-N 1 1 468.601 4.384 20 0 JIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCNC(=O)c1ccccc1C(F)(F)F ZINC001317890000 1066759364 /nfs/dbraw/zinc/75/93/64/1066759364.db2.gz XHAJYFOVODOEEX-SFHVURJKSA-N 1 1 476.543 4.309 20 0 JIADMO O=C(NCC[NH2+][C@H](C(=O)NCc1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F ZINC001317914042 1066782673 /nfs/dbraw/zinc/78/26/73/1066782673.db2.gz YWBFJSRZPRUFSQ-QFIPXVFZSA-N 1 1 455.480 4.083 20 0 JIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2Br)CC1 ZINC001317915145 1066783513 /nfs/dbraw/zinc/78/35/13/1066783513.db2.gz XTNJXCZFTIUMRY-UHFFFAOYSA-N 1 1 471.374 4.430 20 0 JIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2)cc1 ZINC001317938898 1066797702 /nfs/dbraw/zinc/79/77/02/1066797702.db2.gz UJPYPOHKMLGMCY-LJQANCHMSA-N 1 1 458.562 4.344 20 0 JIADMO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)C1 ZINC001318046162 1066869704 /nfs/dbraw/zinc/86/97/04/1066869704.db2.gz JWCFVMXRJLXIDJ-OAHLLOKOSA-N 1 1 470.422 4.256 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)C1 ZINC001318046162 1066869707 /nfs/dbraw/zinc/86/97/07/1066869707.db2.gz JWCFVMXRJLXIDJ-OAHLLOKOSA-N 1 1 470.422 4.256 20 0 JIADMO CC[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)C1 ZINC001318059335 1066876500 /nfs/dbraw/zinc/87/65/00/1066876500.db2.gz UVIVUKUAUBKBIO-GOSISDBHSA-N 1 1 458.400 4.092 20 0 JIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(I)c(Cl)c1 ZINC001349794476 1066884033 /nfs/dbraw/zinc/88/40/33/1066884033.db2.gz OVAVATKKQHPMTQ-MRXNPFEDSA-N 1 1 458.727 4.495 20 0 JIADMO COc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1-c1ccccc1 ZINC001318083515 1066891663 /nfs/dbraw/zinc/89/16/63/1066891663.db2.gz YYOZZDJXOFMQOA-AREMUKBSSA-N 1 1 469.585 4.098 20 0 JIADMO O=C(CSc1ccccc1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)NC12CC3CC(CC(C3)C1)C2 ZINC001318102894 1066900524 /nfs/dbraw/zinc/90/05/24/1066900524.db2.gz OUEOSEWLAVIVMV-CSCIYHFESA-N 1 1 467.679 4.174 20 0 JIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(F)ccc3I)CC2)cc1 ZINC001318110797 1066904677 /nfs/dbraw/zinc/90/46/77/1066904677.db2.gz OYEIOVHEICQLIU-UHFFFAOYSA-N 1 1 452.311 4.087 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCN(C(C)C)CC3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001492547210 1066917432 /nfs/dbraw/zinc/91/74/32/1066917432.db2.gz RCAPLCHLMZIRBS-JOCHJYFZSA-N 1 1 468.671 4.060 20 0 JIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3ccccc3CNC(=O)OC(C)(C)C)cc2)C[C@@H](C)O1 ZINC001318142824 1066922377 /nfs/dbraw/zinc/92/23/77/1066922377.db2.gz DFQQASCCRCEAJE-WOJBJXKFSA-N 1 1 467.610 4.251 20 0 JIADMO CC(C)(C)OC(=O)NCc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001318147168 1066924697 /nfs/dbraw/zinc/92/46/97/1066924697.db2.gz JOFCAJVNRZLWFW-JOCHJYFZSA-N 1 1 466.626 4.423 20 0 JIADMO O=C(CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)NCCc1ccccc1 ZINC001350162767 1066926124 /nfs/dbraw/zinc/92/61/24/1066926124.db2.gz JAXKNLOZELZYKZ-IZZNHLLZSA-N 1 1 476.020 4.031 20 0 JIADMO COc1cccc(N2CCC(NC(=O)[C@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001318170859 1066937306 /nfs/dbraw/zinc/93/73/06/1066937306.db2.gz SKODSDQLLWSEOS-DEOSSOPVSA-N 1 1 461.528 4.235 20 0 JIADMO CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001350260813 1066938953 /nfs/dbraw/zinc/93/89/53/1066938953.db2.gz ZTQFYIJVNJWYFQ-QGZVFWFLSA-N 1 1 458.580 4.364 20 0 JIADMO CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001350260813 1066938965 /nfs/dbraw/zinc/93/89/65/1066938965.db2.gz ZTQFYIJVNJWYFQ-QGZVFWFLSA-N 1 1 458.580 4.364 20 0 JIADMO O=C1Nc2ccccc2[C@@H]1C1CCN(Cn2nc(C[NH+]3CCCC3)n(-c3ccccc3)c2=S)CC1 ZINC001318187678 1066947751 /nfs/dbraw/zinc/94/77/51/1066947751.db2.gz MRIYNQCGOZKRHV-VWLOTQADSA-N 1 1 488.661 4.404 20 0 JIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)c1 ZINC001350384858 1066951305 /nfs/dbraw/zinc/95/13/05/1066951305.db2.gz CHYFKEMZKIKOEE-HNNXBMFYSA-N 1 1 452.530 4.121 20 0 JIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)c1 ZINC001350384858 1066951314 /nfs/dbraw/zinc/95/13/14/1066951314.db2.gz CHYFKEMZKIKOEE-HNNXBMFYSA-N 1 1 452.530 4.121 20 0 JIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccccc2CNC(=O)OC(C)(C)C)C1 ZINC001318198307 1066953346 /nfs/dbraw/zinc/95/33/46/1066953346.db2.gz CHXLUXNPCCCSLU-CVDCTZTESA-N 1 1 452.599 4.346 20 0 JIADMO CS(=O)(=O)Cc1c2ccccc2oc1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001318209896 1066960103 /nfs/dbraw/zinc/96/01/03/1066960103.db2.gz JINBZJJDFIQUPA-UHFFFAOYSA-N 1 1 466.563 4.092 20 0 JIADMO Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001350484963 1066963499 /nfs/dbraw/zinc/96/34/99/1066963499.db2.gz VHXXZWQOGHJSSR-UHFFFAOYSA-N 1 1 451.498 4.307 20 0 JIADMO Cc1cc(NC(=O)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)n(-c2ccc(C)cc2)n1 ZINC001318225541 1066969973 /nfs/dbraw/zinc/96/99/73/1066969973.db2.gz FEJUWCWPFHTEQN-UHFFFAOYSA-N 1 1 477.609 4.300 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3ccc(Cl)c(C(=O)NC4CCCCC4)c3)c2)CC1 ZINC001318226250 1066970690 /nfs/dbraw/zinc/97/06/90/1066970690.db2.gz MSQIBGWWEZATEI-UHFFFAOYSA-N 1 1 498.071 4.472 20 0 JIADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)CC2)c1C ZINC001318248115 1066982513 /nfs/dbraw/zinc/98/25/13/1066982513.db2.gz DMNHCXPTNLYCEO-UHFFFAOYSA-N 1 1 479.625 4.271 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3cccc(NC(=O)c4cccs4)c3)c2)CC1 ZINC001318251025 1066984115 /nfs/dbraw/zinc/98/41/15/1066984115.db2.gz OCOQGIRBGRLYTM-UHFFFAOYSA-N 1 1 463.607 4.070 20 0 JIADMO CCOC(=O)c1sc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C(=O)OCC)c1C ZINC001350730201 1066994286 /nfs/dbraw/zinc/99/42/86/1066994286.db2.gz WGQCUTQARGRNFX-GOSISDBHSA-N 1 1 458.580 4.261 20 0 JIADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc3cc(Br)cnc3n2C)C[C@H](C)O1 ZINC001350763822 1066998521 /nfs/dbraw/zinc/99/85/21/1066998521.db2.gz XVXCLNJIGIXQDO-GASCZTMLSA-N 1 1 457.372 4.197 20 0 JIADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc3cc(Br)cnc3n2C)C[C@H](C)O1 ZINC001350763822 1066998530 /nfs/dbraw/zinc/99/85/30/1066998530.db2.gz XVXCLNJIGIXQDO-GASCZTMLSA-N 1 1 457.372 4.197 20 0 JIADMO COc1ccc([C@H]2CCCCCN2C(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001318283602 1067001354 /nfs/dbraw/zinc/00/13/54/1067001354.db2.gz OEDSCAIYFDEMJB-AREMUKBSSA-N 1 1 450.627 4.270 20 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Cn1ccnc1SCc1ccc(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)o1 ZINC001318418603 1067040241 /nfs/dbraw/zinc/04/02/41/1067040241.db2.gz RWAFRYCEKLWVPB-UHFFFAOYSA-N 1 1 450.568 4.420 20 0 JIADMO CN1CC[NH+](Cc2cccc(CNC(=O)N[C@H](COc3ccccc3)c3ccccc3)c2)CC1 ZINC001318598378 1067055106 /nfs/dbraw/zinc/05/51/06/1067055106.db2.gz LQOMNCJHROMQMU-HHHXNRCGSA-N 1 1 458.606 4.054 20 0 JIADMO CC[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC001318598527 1067055906 /nfs/dbraw/zinc/05/59/06/1067055906.db2.gz MJTBOPPXNCPFBN-SFHVURJKSA-N 1 1 462.516 4.489 20 0 JIADMO C[C@@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001351237809 1067062546 /nfs/dbraw/zinc/06/25/46/1067062546.db2.gz SKBROHDDRMNBBB-CLOONOSVSA-N 1 1 455.558 4.110 20 0 JIADMO C[C@@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001351237809 1067062564 /nfs/dbraw/zinc/06/25/64/1067062564.db2.gz SKBROHDDRMNBBB-CLOONOSVSA-N 1 1 455.558 4.110 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C(=O)NCc3cccc(C)c3)cc2)cc1F ZINC001351329205 1067077896 /nfs/dbraw/zinc/07/78/96/1067077896.db2.gz QWWREHTXIZSEBQ-UHFFFAOYSA-N 1 1 456.521 4.488 20 0 JIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2Br)cc1F ZINC001351329352 1067078085 /nfs/dbraw/zinc/07/80/85/1067078085.db2.gz SCZISGJGKXUOES-UHFFFAOYSA-N 1 1 454.303 4.198 20 0 JIADMO CC(C)[C@@H](NC(=O)C[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1)c1ccc2c(c1)OCCCO2 ZINC001321428286 1067126014 /nfs/dbraw/zinc/12/60/14/1067126014.db2.gz ZXLUZELWTLQYHP-KAYWLYCHSA-N 1 1 477.605 4.109 20 0 JIADMO 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 1067141236 /nfs/dbraw/zinc/14/12/36/1067141236.db2.gz DJBGIYOJUALVSO-TZIWHRDSSA-N 1 1 454.652 4.482 20 0 JIADMO COc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)cc1 ZINC001321487765 1067145066 /nfs/dbraw/zinc/14/50/66/1067145066.db2.gz KEVRHGAMYBSVKS-UHFFFAOYSA-N 1 1 491.621 4.133 20 0 JIADMO C[NH+]1CCN([C@H](CNC(=O)Nc2ccc(Oc3cccc(F)c3)nc2)c2cccs2)CC1 ZINC001321677724 1067198853 /nfs/dbraw/zinc/19/88/53/1067198853.db2.gz ZEBZODUNZURYRS-HXUWFJFHSA-N 1 1 455.559 4.185 20 0 JIADMO CC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC001321846456 1067218317 /nfs/dbraw/zinc/21/83/17/1067218317.db2.gz ZTBLKJOSQXGKCL-SANMLTNESA-N 1 1 492.664 4.365 20 0 JIADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(NC(=O)CC(C)C)c(C)c3)cc2)CC1 ZINC001351896753 1067236212 /nfs/dbraw/zinc/23/62/12/1067236212.db2.gz YSNCUVYBSIWPCH-UHFFFAOYSA-N 1 1 450.583 4.010 20 0 JIADMO CO[C@H]1CCC[C@@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001300744479 1067244713 /nfs/dbraw/zinc/24/47/13/1067244713.db2.gz IISSKIDLXSHCNT-VWNXMTODSA-N 1 1 455.647 4.210 20 0 JIADMO Cc1cccc(OCc2nnc(N3CCSC[C@H]3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001492550020 1067253528 /nfs/dbraw/zinc/25/35/28/1067253528.db2.gz VVZKFMFGLTVKSQ-FGZHOGPDSA-N 1 1 457.688 4.475 20 0 JIADMO Cc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cnn1-c1cccc(Br)c1 ZINC001352018931 1067270265 /nfs/dbraw/zinc/27/02/65/1067270265.db2.gz IUGGYQJJPDKSHS-HXUWFJFHSA-N 1 1 457.372 4.493 20 0 JIADMO CO[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001300753418 1067278765 /nfs/dbraw/zinc/27/87/65/1067278765.db2.gz HYFRAXCXNNMUTM-PCCBWWKXSA-N 1 1 459.610 4.437 20 0 JIADMO CO[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001300753416 1067278959 /nfs/dbraw/zinc/27/89/59/1067278959.db2.gz HYFRAXCXNNMUTM-NJDAHSKKSA-N 1 1 459.610 4.437 20 0 JIADMO C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Br)[N@H+]1CCc2ccccc2C1 ZINC001352081619 1067282545 /nfs/dbraw/zinc/28/25/45/1067282545.db2.gz SVSFKWBFDJQFSB-GJZGRUSLSA-N 1 1 451.792 4.433 20 0 JIADMO C[C@H](CNC(=O)c1scc(Br)c1Br)[N@@H+]1CCc2ccccc2C1 ZINC001352081909 1067283423 /nfs/dbraw/zinc/28/34/23/1067283423.db2.gz WWYYWINHEVBPNG-LLVKDONJSA-N 1 1 458.219 4.450 20 0 JIADMO C[C@H](CNC(=O)c1scc(Br)c1Br)[N@H+]1CCc2ccccc2C1 ZINC001352081909 1067283433 /nfs/dbraw/zinc/28/34/33/1067283433.db2.gz WWYYWINHEVBPNG-LLVKDONJSA-N 1 1 458.219 4.450 20 0 JIADMO CO[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001300757907 1067289100 /nfs/dbraw/zinc/28/91/00/1067289100.db2.gz OGKLSTKUFWUTJG-AEFFLSMTSA-N 1 1 479.467 4.161 20 0 JIADMO CC(C)c1oc(-c2ccccc2)nc1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC001322435497 1067292113 /nfs/dbraw/zinc/29/21/13/1067292113.db2.gz JUPBLRNLFZZKTM-UHFFFAOYSA-N 1 1 482.606 4.044 20 0 JIADMO CC(C)c1oc(-c2ccccc2)nc1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC001322435497 1067292126 /nfs/dbraw/zinc/29/21/26/1067292126.db2.gz JUPBLRNLFZZKTM-UHFFFAOYSA-N 1 1 482.606 4.044 20 0 JIADMO CCCS(=O)(=O)Nc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC001200823346 1067299802 /nfs/dbraw/zinc/29/98/02/1067299802.db2.gz ZPHVREHTRSIBJK-OXJNMPFZSA-N 1 1 450.630 4.104 20 0 JIADMO Cc1cc(C(=O)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c2ccc(F)cc2n1 ZINC001323367461 1067318918 /nfs/dbraw/zinc/31/89/18/1067318918.db2.gz PKKQFVHBKAUUPQ-UHFFFAOYSA-N 1 1 465.554 4.184 20 0 JIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cnnn1-c1cc(C(F)(F)F)ccc1Cl ZINC001352268146 1067321175 /nfs/dbraw/zinc/32/11/75/1067321175.db2.gz KACNZQKBVCKGDO-INIZCTEOSA-N 1 1 453.852 4.099 20 0 JIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)C1 ZINC001323636433 1067324986 /nfs/dbraw/zinc/32/49/86/1067324986.db2.gz YPJBVSPHKNZZPG-NRFANRHFSA-N 1 1 488.632 4.136 20 0 JIADMO COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC001324255583 1067336682 /nfs/dbraw/zinc/33/66/82/1067336682.db2.gz QCLQXEMPMSOGOY-UHFFFAOYSA-N 1 1 465.575 4.344 20 0 JIADMO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001492552830 1067338935 /nfs/dbraw/zinc/33/89/35/1067338935.db2.gz FGDWBJDBOFJROJ-GSPCLOLRSA-N 1 1 455.647 4.177 20 0 JIADMO COc1ccc(-c2nnc(N(C)C[C@H](C)c3nccs3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001300001301 1067338996 /nfs/dbraw/zinc/33/89/96/1067338996.db2.gz VVOUZFQUFPOEDN-SIKLNZKXSA-N 1 1 484.670 4.007 20 0 JIADMO Cc1ccccc1[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[N@@H+]1CC=CCC1 ZINC001492552916 1067339708 /nfs/dbraw/zinc/33/97/08/1067339708.db2.gz FNTWRFKSGDVMMI-ATIYNZHBSA-N 1 1 453.631 4.086 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3ccco3)n2CC[N@H+]2CCCC(C)(C)C2)c(OC)c1 ZINC001300002744 1067343947 /nfs/dbraw/zinc/34/39/47/1067343947.db2.gz TZXCOZOFLHNQMW-UHFFFAOYSA-N 1 1 453.587 4.314 20 0 JIADMO 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 1067350873 /nfs/dbraw/zinc/35/08/73/1067350873.db2.gz MJXDTQQOWQHBOK-MQFRRQCYSA-N 1 1 487.714 4.054 20 0 JIADMO COc1ccc(-c2nnc(N(C)Cc3nccs3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC001300006788 1067355906 /nfs/dbraw/zinc/35/59/06/1067355906.db2.gz QNLABCNGTAMMKQ-SFHVURJKSA-N 1 1 470.643 4.176 20 0 JIADMO CO[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC001300793112 1067364706 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C[NH+](C)[C@@H](C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)c1cccc(Cl)c1 ZINC001353136825 1067877086 /nfs/dbraw/zinc/87/70/86/1067877086.db2.gz KEAIIEXQYAOKLH-HXUWFJFHSA-N 1 1 455.908 4.186 20 0 JIADMO COc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(F)c1 ZINC001300212625 1067882690 /nfs/dbraw/zinc/88/26/90/1067882690.db2.gz SDTPIIHVSRAEEF-BGYRXZFFSA-N 1 1 487.664 4.388 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCO[C@H]1CCCC[C@H]1C ZINC001492559434 1067884890 /nfs/dbraw/zinc/88/48/90/1067884890.db2.gz AEGCIJOFHXXIJI-AHCIIZGASA-N 1 1 469.674 4.394 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCO[C@H]1CCCC[C@H]1C ZINC001492559434 1067884892 /nfs/dbraw/zinc/88/48/92/1067884892.db2.gz AEGCIJOFHXXIJI-AHCIIZGASA-N 1 1 469.674 4.394 20 0 JIADMO Cc1ccccc1-c1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1CC(C)(C)C[NH+](C)C ZINC001492559528 1067885117 /nfs/dbraw/zinc/88/51/17/1067885117.db2.gz DRAZQZOWXWIUGX-WIOPSUGQSA-N 1 1 492.716 4.094 20 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CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C ZINC001353951371 1068796181 /nfs/dbraw/zinc/79/61/81/1068796181.db2.gz NPKKWAHOUBTGPN-FYYLOGMGSA-N 1 1 469.651 4.231 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1Cc1c(C)coc1C ZINC001300466369 1068805727 /nfs/dbraw/zinc/80/57/27/1068805727.db2.gz RTVLIHHJSFIQSD-UHFFFAOYSA-N 1 1 467.614 4.006 20 0 JIADMO 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 1068821702 /nfs/dbraw/zinc/82/17/02/1068821702.db2.gz DDXGWAMGHNFXKL-RDPSFJRHSA-N 1 1 481.559 4.387 20 0 JIADMO COC(=O)Nc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1F ZINC001353991755 1068821761 /nfs/dbraw/zinc/82/17/61/1068821761.db2.gz BRKQPQGGULDSQV-UHFFFAOYSA-N 1 1 453.436 4.371 20 0 JIADMO O=C(c1ccc2nnc(C(F)F)n2c1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001353992171 1068822148 /nfs/dbraw/zinc/82/21/48/1068822148.db2.gz MCZUPVFDIKOURF-UHFFFAOYSA-N 1 1 453.415 4.034 20 0 JIADMO COc1ccccc1-c1nnc(N(C)CCc2nccs2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001300476512 1068826448 /nfs/dbraw/zinc/82/64/48/1068826448.db2.gz ZFGBKUZBNSRLQI-LJQANCHMSA-N 1 1 454.644 4.354 20 0 JIADMO Cc1ccccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC(=O)NC1CCCCC1 ZINC001492567601 1068836692 /nfs/dbraw/zinc/83/66/92/1068836692.db2.gz JNAAJGRLTDQRRE-UHFFFAOYSA-N 1 1 452.647 4.013 20 0 JIADMO COc1cc(NC(=S)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(OC)cc1Cl ZINC001200535052 1068845462 /nfs/dbraw/zinc/84/54/62/1068845462.db2.gz FMJPDVNCVZNKMF-NVXWUHKLSA-N 1 1 465.978 4.031 20 0 JIADMO COc1cc(NC(=S)N2CC[N@H+]3C[C@H](Oc4ccc(C)cc4)C[C@H]3C2)c(OC)cc1Cl ZINC001200535127 1068845967 /nfs/dbraw/zinc/84/59/67/1068845967.db2.gz IKAVBGONBFWKMM-FUHWJXTLSA-N 1 1 462.015 4.200 20 0 JIADMO COc1ccccc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCCc1nnc(C)s1 ZINC001300486242 1068846808 /nfs/dbraw/zinc/84/68/08/1068846808.db2.gz UEFVORJETBOPLP-UHFFFAOYSA-N 1 1 483.686 4.303 20 0 JIADMO COc1cc(NC(=S)N2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c(OC)cc1Cl ZINC001200539701 1068853770 /nfs/dbraw/zinc/85/37/70/1068853770.db2.gz HRBBKVQHJBNBND-HNNXBMFYSA-N 1 1 499.077 4.117 20 0 JIADMO COc1cc(NC(=S)N[C@@H]2CC[N@H+](C3CCN(C(=O)OC(C)(C)C)CC3)C2)c(OC)cc1Cl ZINC001200548797 1068868957 /nfs/dbraw/zinc/86/89/57/1068868957.db2.gz MVSMAXADQDSVJB-OAHLLOKOSA-N 1 1 499.077 4.117 20 0 JIADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC001200549831 1068870537 /nfs/dbraw/zinc/87/05/37/1068870537.db2.gz RDTYEWNSKFBTFP-QGZVFWFLSA-N 1 1 457.880 4.169 20 0 JIADMO COc1ccccc1-c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001300519713 1068907246 /nfs/dbraw/zinc/90/72/46/1068907246.db2.gz FGVBODYJQPDUBO-RTWAWAEBSA-N 1 1 498.672 4.178 20 0 JIADMO CC(C)(C)OC(=O)N1CCC2(C[N@@H+](Cc3ccccc3)C[C@@H]2CNC(=S)NCc2ccco2)CC1 ZINC001200570316 1068915082 /nfs/dbraw/zinc/91/50/82/1068915082.db2.gz DOKPVYWIIYQHAE-QFIPXVFZSA-N 1 1 498.693 4.393 20 0 JIADMO COc1ccccc1[C@H]1CCCN1c1nnc(CC(C)(C)C)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001300523124 1068919573 /nfs/dbraw/zinc/91/95/73/1068919573.db2.gz DYESESSLLUJRJA-JTHBVZDNSA-N 1 1 469.674 4.454 20 0 JIADMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCSC(F)(F)F)CC1 ZINC001492569014 1068964164 /nfs/dbraw/zinc/96/41/64/1068964164.db2.gz IQVBLJQZZPJSAN-UHFFFAOYSA-N 1 1 493.603 4.179 20 0 JIADMO COc1ccccc1Cc1nnc(N(Cc2cccs2)C(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001300546016 1068983894 /nfs/dbraw/zinc/98/38/94/1068983894.db2.gz AUNSTILMWYJDKD-UHFFFAOYSA-N 1 1 483.682 4.465 20 0 JIADMO COc1ccccc1Cc1nnc(N(Cc2cccs2)C(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001300546016 1068983908 /nfs/dbraw/zinc/98/39/08/1068983908.db2.gz AUNSTILMWYJDKD-UHFFFAOYSA-N 1 1 483.682 4.465 20 0 JIADMO CC(C)(C)OC(=O)NC1(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CCCC1 ZINC001300550099 1068996422 /nfs/dbraw/zinc/99/64/22/1068996422.db2.gz IAVJTYPDYBQILN-LJQANCHMSA-N 1 1 451.558 4.098 20 0 JIADMO 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COc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)cc1 ZINC000849481035 1069049413 /nfs/dbraw/zinc/04/94/13/1069049413.db2.gz IZKNRYQKBNKDAJ-LOSJGSFVSA-N 1 1 475.593 4.134 20 0 JIADMO CCN(CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849483161 1069051209 /nfs/dbraw/zinc/05/12/09/1069051209.db2.gz FXHVVGWMEZHJJO-ODGPQVTHSA-N 1 1 460.066 4.087 20 0 JIADMO CCN(CC)[C@H](CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1)c1ccccc1Cl ZINC000849483161 1069051211 /nfs/dbraw/zinc/05/12/11/1069051211.db2.gz FXHVVGWMEZHJJO-ODGPQVTHSA-N 1 1 460.066 4.087 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849485954 1069052910 /nfs/dbraw/zinc/05/29/10/1069052910.db2.gz ZDSFXLBAOYCPTH-SESVDKBCSA-N 1 1 451.640 4.250 20 0 JIADMO 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 1069054656 /nfs/dbraw/zinc/05/46/56/1069054656.db2.gz QHHGETSSVNDYAN-PKTNWEFCSA-N 1 1 490.648 4.351 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)[C@H](c2cnn(C)c2)C1 ZINC000849490821 1069058529 /nfs/dbraw/zinc/05/85/29/1069058529.db2.gz PULAYBHYCGLILL-PMACEKPBSA-N 1 1 463.607 4.420 20 0 JIADMO COc1ccc(-c2nc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)sc2C)cc1 ZINC000849490681 1069058535 /nfs/dbraw/zinc/05/85/35/1069058535.db2.gz WCCDLXGQODWDPV-LEWJYISDSA-N 1 1 453.612 4.313 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849491537 1069060566 /nfs/dbraw/zinc/06/05/66/1069060566.db2.gz YXFBKLFNQVMCKY-LOSJGSFVSA-N 1 1 450.558 4.482 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849493414 1069061609 /nfs/dbraw/zinc/06/16/09/1069061609.db2.gz WWOVERPFKLIAAE-VQTJNVASSA-N 1 1 463.548 4.492 20 0 JIADMO COc1ccc(-c2cc(NC(=O)[C@@H]3CC[N@@H+](C)C[C@@H]3c3cnn(C)c3)ccc2OC(F)F)cc1 ZINC000849493048 1069061664 /nfs/dbraw/zinc/06/16/64/1069061664.db2.gz ZINDZMOEHUCFMS-IFMALSPDSA-N 1 1 470.520 4.371 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849493644 1069064783 /nfs/dbraw/zinc/06/47/83/1069064783.db2.gz YIDMRYDXVKCRPE-WUFINQPMSA-N 1 1 496.659 4.462 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)cn1 ZINC000849495394 1069065907 /nfs/dbraw/zinc/06/59/07/1069065907.db2.gz CKKGXWQULIXXTD-GGAORHGYSA-N 1 1 498.096 4.182 20 0 JIADMO CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc1Cl ZINC000849496358 1069067709 /nfs/dbraw/zinc/06/77/09/1069067709.db2.gz JWTFCLJFMIICHV-FPOVZHCZSA-N 1 1 460.022 4.008 20 0 JIADMO CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849498931 1069069676 /nfs/dbraw/zinc/06/96/76/1069069676.db2.gz VDRDTIIIRJMKMZ-VQTJNVASSA-N 1 1 465.411 4.184 20 0 JIADMO Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000849498580 1069070489 /nfs/dbraw/zinc/07/04/89/1069070489.db2.gz SDPLWJSSJGCWSE-UPVQGACJSA-N 1 1 459.594 4.433 20 0 JIADMO Cc1c(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cccc1-c1nnc2n1CCCCC2 ZINC000849502289 1069073933 /nfs/dbraw/zinc/07/39/33/1069073933.db2.gz ZPQABPQRQFELMZ-PKTZIBPZSA-N 1 1 475.641 4.166 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849502324 1069074664 /nfs/dbraw/zinc/07/46/64/1069074664.db2.gz PVRRWKHHWOHNAH-WOJBJXKFSA-N 1 1 470.511 4.290 20 0 JIADMO COc1ccc2[nH]cc(C3=CCN(C(=O)[C@@H]4CC[N@H+](C(C)C)C[C@@H]4c4cnn(C)c4)CC3)c2c1 ZINC000849502178 1069074685 /nfs/dbraw/zinc/07/46/85/1069074685.db2.gz ZCRRYFOJUDGIJH-RCZVLFRGSA-N 1 1 461.610 4.040 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849502322 1069074819 /nfs/dbraw/zinc/07/48/19/1069074819.db2.gz PVRRWKHHWOHNAH-VQTJNVASSA-N 1 1 470.511 4.290 20 0 JIADMO COc1cc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1NC(=O)OC(C)(C)C ZINC000849502770 1069076767 /nfs/dbraw/zinc/07/67/67/1069076767.db2.gz SHDGIVIOUCSEIE-UXHICEINSA-N 1 1 471.602 4.228 20 0 JIADMO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001492574507 1069080271 /nfs/dbraw/zinc/08/02/71/1069080271.db2.gz UDYFNPWPXSFFAJ-DEOSSOPVSA-N 1 1 494.728 4.430 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccccc2CN2CCc3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849504352 1069080430 /nfs/dbraw/zinc/08/04/30/1069080430.db2.gz OQQBZYTVOTZNSY-JWQCQUIFSA-N 1 1 457.622 4.435 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccccc2CN2CCc3ccccc32)[C@@H](c2cnn(C)c2)C1 ZINC000849504353 1069080520 /nfs/dbraw/zinc/08/05/20/1069080520.db2.gz OQQBZYTVOTZNSY-LOSJGSFVSA-N 1 1 457.622 4.435 20 0 JIADMO COc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)cc1NC(=O)c1ccc(Cl)cc1F ZINC000849503803 1069082384 /nfs/dbraw/zinc/08/23/84/1069082384.db2.gz LGUNPPYKTWRHNG-AZUAARDMSA-N 1 1 499.974 4.148 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849504031 1069082457 /nfs/dbraw/zinc/08/24/57/1069082457.db2.gz BBYDIYSFKKDHGE-UPVQGACJSA-N 1 1 465.642 4.277 20 0 JIADMO Cc1ccc(Cc2cnc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)s2)cc1F ZINC000849503898 1069082483 /nfs/dbraw/zinc/08/24/83/1069082483.db2.gz MWSWWVCLRJMETM-SFTDATJTSA-N 1 1 455.603 4.368 20 0 JIADMO COc1ccccc1Cc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C[C@@](C)(O)C(C)C ZINC001300572309 1069083836 /nfs/dbraw/zinc/08/38/36/1069083836.db2.gz HMXPJTGGAZJMQV-FQRUVTKNSA-N 1 1 483.682 4.229 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849504687 1069084301 /nfs/dbraw/zinc/08/43/01/1069084301.db2.gz PPXZJMWUTHVEIM-BJKOFHAPSA-N 1 1 463.557 4.264 20 0 JIADMO CCCN1CCN(c2ccc(NC(=O)[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2Cl)CC1 ZINC000849505590 1069087259 /nfs/dbraw/zinc/08/72/59/1069087259.db2.gz IIQDYUISKRRMRR-DHIUTWEWSA-N 1 1 487.092 4.058 20 0 JIADMO CCCN1CCN(c2ccc(NC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2Cl)CC1 ZINC000849505590 1069087263 /nfs/dbraw/zinc/08/72/63/1069087263.db2.gz IIQDYUISKRRMRR-DHIUTWEWSA-N 1 1 487.092 4.058 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849507916 1069089990 /nfs/dbraw/zinc/08/99/90/1069089990.db2.gz RSAMHBCGZQCDED-ZEQRLZLVSA-N 1 1 452.549 4.418 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cn1 ZINC000849511125 1069094407 /nfs/dbraw/zinc/09/44/07/1069094407.db2.gz NYRBPGSVZKRBSM-NHCUHLMSSA-N 1 1 472.420 4.386 20 0 JIADMO COc1ccccc1Cc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001300574605 1069094758 /nfs/dbraw/zinc/09/47/58/1069094758.db2.gz ZQJHIXFRHDSTIE-GOTSBHOMSA-N 1 1 469.674 4.249 20 0 JIADMO COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849512213 1069095582 /nfs/dbraw/zinc/09/55/82/1069095582.db2.gz BIJFNJDFTNQVGG-MZBJOSPHSA-N 1 1 460.622 4.124 20 0 JIADMO C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)(C)C)cc2)CC1 ZINC001354309525 1069096324 /nfs/dbraw/zinc/09/63/24/1069096324.db2.gz TYRJTGFHQBYVIF-HSZRJFAPSA-N 1 1 452.599 4.108 20 0 JIADMO CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@H]3CC[N@H+](C(C)C)C[C@H]3c3cnn(C)c3)cc2s1 ZINC000849512473 1069096399 /nfs/dbraw/zinc/09/63/99/1069096399.db2.gz FVYDPECMFFQANQ-ROUUACIJSA-N 1 1 470.599 4.051 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)cn1 ZINC000849515583 1069102486 /nfs/dbraw/zinc/10/24/86/1069102486.db2.gz MFACATKPMFTGSO-PMACEKPBSA-N 1 1 464.591 4.017 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849516675 1069104354 /nfs/dbraw/zinc/10/43/54/1069104354.db2.gz LURGGZKJGWYBKW-PKTZIBPZSA-N 1 1 456.594 4.426 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518290 1069104974 /nfs/dbraw/zinc/10/49/74/1069104974.db2.gz GNDFPMIJOOYJNF-URLMMPGGSA-N 1 1 496.659 4.462 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849518292 1069105120 /nfs/dbraw/zinc/10/51/20/1069105120.db2.gz GNDFPMIJOOYJNF-WDYNHAJCSA-N 1 1 496.659 4.462 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849517967 1069106002 /nfs/dbraw/zinc/10/60/02/1069106002.db2.gz GEDVZKIDNVENAC-RPWUZVMVSA-N 1 1 464.541 4.231 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518717 1069109885 /nfs/dbraw/zinc/10/98/85/1069109885.db2.gz OVBDJBYOZHUJSR-LEWJYISDSA-N 1 1 451.596 4.187 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849518616 1069110147 /nfs/dbraw/zinc/11/01/47/1069110147.db2.gz SBVGNCRSBXCBML-FQLXRVMXSA-N 1 1 496.659 4.462 20 0 JIADMO Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849519580 1069112851 /nfs/dbraw/zinc/11/28/51/1069112851.db2.gz KIAGFXSRVPNMIF-UBFVSLLYSA-N 1 1 460.626 4.303 20 0 JIADMO CC[C@@H](c1nnc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)s1)c1ccccc1 ZINC000849521522 1069115773 /nfs/dbraw/zinc/11/57/73/1069115773.db2.gz FERBWRMNWBYQKZ-HKBOAZHASA-N 1 1 452.628 4.266 20 0 JIADMO COC(=O)c1cc(Oc2ccccc2)ccc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849524894 1069118206 /nfs/dbraw/zinc/11/82/06/1069118206.db2.gz KOXXWQMBKSGMMK-ISKFKSNPSA-N 1 1 476.577 4.452 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)cn1 ZINC000849526065 1069123346 /nfs/dbraw/zinc/12/33/46/1069123346.db2.gz UEUHWZXAOZYVHM-CTNGQTDRSA-N 1 1 490.583 4.218 20 0 JIADMO CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)Cc1ccc(Cl)cc1Cl ZINC000849534386 1069142899 /nfs/dbraw/zinc/14/28/99/1069142899.db2.gz IFWUHPVOQUCBLT-DZFGPLHGSA-N 1 1 451.442 4.393 20 0 JIADMO CC(C)Cn1cc([C@H]2N(C(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CC23CCOCC3)cn1 ZINC000849534891 1069149363 /nfs/dbraw/zinc/14/93/63/1069149363.db2.gz LTCAJFUGCITNMJ-RCZVLFRGSA-N 1 1 468.617 4.271 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)[C@H](c2cnn(C)c2)C1 ZINC000849547163 1069183828 /nfs/dbraw/zinc/18/38/28/1069183828.db2.gz FVTQMRCKSYVAEN-GOTSBHOMSA-N 1 1 481.641 4.166 20 0 JIADMO COc1ccc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1NC(=O)C1CCCCC1 ZINC000849548939 1069188277 /nfs/dbraw/zinc/18/82/77/1069188277.db2.gz QNIPAPAUXSDIDJ-XZOQPEGZSA-N 1 1 481.641 4.400 20 0 JIADMO COc1ccc(N(Cc2ccco2)C(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc1F ZINC000849554152 1069197137 /nfs/dbraw/zinc/19/71/37/1069197137.db2.gz UYLBDLJIHAVNQH-FCHUYYIVSA-N 1 1 454.546 4.208 20 0 JIADMO COc1cccc([C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c2ccccc2Cl)c1 ZINC000849553822 1069198522 /nfs/dbraw/zinc/19/85/22/1069198522.db2.gz TUJHGNAHGLJINP-BKULYWANSA-N 1 1 452.986 4.023 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849554891 1069201339 /nfs/dbraw/zinc/20/13/39/1069201339.db2.gz WQNNQEYWPAGENC-GOTSBHOMSA-N 1 1 499.457 4.074 20 0 JIADMO COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)CCO2 ZINC000849557321 1069203173 /nfs/dbraw/zinc/20/31/73/1069203173.db2.gz YZVJMXKXZXNKNB-DMTNHVFBSA-N 1 1 474.605 4.017 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)[C@H](c2cnn(C)c2)C1 ZINC000849557058 1069203475 /nfs/dbraw/zinc/20/34/75/1069203475.db2.gz YGUZBAFLMQIJLL-PKTZIBPZSA-N 1 1 487.689 4.016 20 0 JIADMO COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)CCO2 ZINC000849557323 1069203622 /nfs/dbraw/zinc/20/36/22/1069203622.db2.gz YZVJMXKXZXNKNB-SKBVVQJISA-N 1 1 474.605 4.017 20 0 JIADMO 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 1069204342 /nfs/dbraw/zinc/20/43/42/1069204342.db2.gz DWPIEIMQJSUDSD-QXAKKESOSA-N 1 1 475.431 4.119 20 0 JIADMO CC(C)Oc1ccc(Br)cc1NC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849562909 1069212910 /nfs/dbraw/zinc/21/29/10/1069212910.db2.gz HLCWGLZOOGGBJM-RTBURBONSA-N 1 1 463.420 4.422 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)NCCc2cc(Cl)ccc2Br)[C@H](c2cnn(C)c2)C1 ZINC000849566239 1069215449 /nfs/dbraw/zinc/21/54/49/1069215449.db2.gz ZRMIPQCFRLHFLU-OALUTQOASA-N 1 1 467.839 4.009 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)cn1 ZINC000849564626 1069215764 /nfs/dbraw/zinc/21/57/64/1069215764.db2.gz VUZYQWAIBYCOGS-YTFSRNRJSA-N 1 1 485.401 4.263 20 0 JIADMO COc1ccc(Oc2ccc(CCNC(=O)[C@@H]3CC[N@H+](C(C)C)C[C@@H]3c3cnn(C)c3)cc2)cc1 ZINC000849569037 1069220071 /nfs/dbraw/zinc/22/00/71/1069220071.db2.gz RGPKGUQOLCOYJU-KAYWLYCHSA-N 1 1 476.621 4.394 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)[C@@H](c2cnn(C)c2)C1 ZINC000849571872 1069223981 /nfs/dbraw/zinc/22/39/81/1069223981.db2.gz LUJBFJRCHRKXFF-QZTJIDSGSA-N 1 1 461.397 4.365 20 0 JIADMO CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849573352 1069224503 /nfs/dbraw/zinc/22/45/03/1069224503.db2.gz SBUSSNLODZURBP-PZJWPPBQSA-N 1 1 485.032 4.375 20 0 JIADMO COc1ccccc1N1CCN(c2nnc(C(C)C)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001300614875 1069227609 /nfs/dbraw/zinc/22/76/09/1069227609.db2.gz BWAQCYSTAUPBOE-SZPZYZBQSA-N 1 1 454.663 4.105 20 0 JIADMO CC[C@H](Cc1ccccc1Br)N(C)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849574812 1069228562 /nfs/dbraw/zinc/22/85/62/1069228562.db2.gz AFTQRTYGVWIDEK-BHIFYINESA-N 1 1 475.475 4.476 20 0 JIADMO CCCOc1ccc(CN(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)cc1 ZINC000849577736 1069229655 /nfs/dbraw/zinc/22/96/55/1069229655.db2.gz SKIVLSVHIIKOHB-SVBPBHIXSA-N 1 1 460.622 4.473 20 0 JIADMO 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 1069230945 /nfs/dbraw/zinc/23/09/45/1069230945.db2.gz YFNPUELZSQXPJN-KXTAGPOFSA-N 1 1 490.067 4.367 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)cn1 ZINC000849579615 1069231878 /nfs/dbraw/zinc/23/18/78/1069231878.db2.gz XQWOWMHFZCSYFH-PCCBWWKXSA-N 1 1 463.395 4.015 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)[C@H](c2cnn(C)c2)C1 ZINC000849582301 1069233101 /nfs/dbraw/zinc/23/31/01/1069233101.db2.gz MGHYXOQLOKMLPT-ROUUACIJSA-N 1 1 450.568 4.137 20 0 JIADMO CCc1c(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cnn1-c1ccccc1Cl ZINC000849581599 1069233125 /nfs/dbraw/zinc/23/31/25/1069233125.db2.gz IAQQMOWKJNKTAE-OALUTQOASA-N 1 1 455.006 4.274 20 0 JIADMO 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 1069234695 /nfs/dbraw/zinc/23/46/95/1069234695.db2.gz XKVMULRZYCDBSH-VQTJNVASSA-N 1 1 452.521 4.184 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849587284 1069238042 /nfs/dbraw/zinc/23/80/42/1069238042.db2.gz SIJVECUAGHOXLI-JQVVWYNYSA-N 1 1 477.422 4.499 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849586762 1069238807 /nfs/dbraw/zinc/23/88/07/1069238807.db2.gz FWQFZECKMXQUGU-VSGBNLITSA-N 1 1 486.660 4.411 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2ccc(Br)c3cccnc23)[C@H](c2cnn(C)c2)C1 ZINC000849589247 1069240249 /nfs/dbraw/zinc/24/02/49/1069240249.db2.gz WFFSKTFTTWDWDG-WMZOPIPTSA-N 1 1 456.388 4.183 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ccc(Br)c3cccnc23)[C@H](c2cnn(C)c2)C1 ZINC000849589244 1069240343 /nfs/dbraw/zinc/24/03/43/1069240343.db2.gz WFFSKTFTTWDWDG-AEFFLSMTSA-N 1 1 456.388 4.183 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N[C@@H](C)c2ccc(Br)cc2F)[C@H](c2cnn(C)c2)C1 ZINC000849590862 1069242992 /nfs/dbraw/zinc/24/29/92/1069242992.db2.gz ANBWYZHTCCPCNM-KYNGSXCRSA-N 1 1 451.384 4.013 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H](C)c2ccc(Br)cc2F)[C@@H](c2cnn(C)c2)C1 ZINC000849590863 1069243046 /nfs/dbraw/zinc/24/30/46/1069243046.db2.gz ANBWYZHTCCPCNM-MDASCCDHSA-N 1 1 451.384 4.013 20 0 JIADMO Cc1cc(C(C)(C)NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)ccc1Br ZINC000849595104 1069246903 /nfs/dbraw/zinc/24/69/03/1069246903.db2.gz IOBPDBVGLJYKHL-UXHICEINSA-N 1 1 461.448 4.356 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849594595 1069247762 /nfs/dbraw/zinc/24/77/62/1069247762.db2.gz FJEDAKRAWFNNMX-DHIUTWEWSA-N 1 1 458.050 4.015 20 0 JIADMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cccc3c2CCCN3C(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849595547 1069247830 /nfs/dbraw/zinc/24/78/30/1069247830.db2.gz YHONFLZPJBWGDG-RPWUZVMVSA-N 1 1 495.668 4.238 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)cn1 ZINC000849595948 1069250324 /nfs/dbraw/zinc/25/03/24/1069250324.db2.gz MKAZILSXKIORSB-GVAUOCQISA-N 1 1 467.013 4.183 20 0 JIADMO 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 1069250658 /nfs/dbraw/zinc/25/06/58/1069250658.db2.gz SVTXPLLCDCOVAA-QTLGCAHFSA-N 1 1 468.642 4.079 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)[C@H](c2cnn(C)c2)C1 ZINC000849597355 1069251780 /nfs/dbraw/zinc/25/17/80/1069251780.db2.gz SNSHPJCRCBUWHC-OALUTQOASA-N 1 1 478.494 4.216 20 0 JIADMO 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 1069255402 /nfs/dbraw/zinc/25/54/02/1069255402.db2.gz LAZHPSPXZNTZDD-PKTZIBPZSA-N 1 1 467.614 4.123 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC[C@@H](c3cccc(Br)c3)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849600323 1069255895 /nfs/dbraw/zinc/25/58/95/1069255895.db2.gz PXZQRYNBWZDAPY-BVYCBKJFSA-N 1 1 459.432 4.013 20 0 JIADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cc(-c3cccs3)nn2Cc2ccccc2)cn1 ZINC000849602356 1069257919 /nfs/dbraw/zinc/25/79/19/1069257919.db2.gz MSAPIYHFWDNVDX-NHCUHLMSSA-N 1 1 460.607 4.067 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)[C@H](c2cnn(C)c2)C1 ZINC000849601304 1069258083 /nfs/dbraw/zinc/25/80/83/1069258083.db2.gz JGJJYDIUVWPXAK-SVBPBHIXSA-N 1 1 456.634 4.257 20 0 JIADMO CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849603150 1069259204 /nfs/dbraw/zinc/25/92/04/1069259204.db2.gz CKRGNSZZARXBBL-FCHUYYIVSA-N 1 1 450.549 4.344 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc3c(Br)ccnc23)[C@@H](c2cnn(C)c2)C1 ZINC000849604444 1069261826 /nfs/dbraw/zinc/26/18/26/1069261826.db2.gz XGINUJQZISGKAN-FUHWJXTLSA-N 1 1 456.388 4.183 20 0 JIADMO COc1ccccc1OCc1nnc(N(C)CC(F)(F)F)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001300627599 1069264690 /nfs/dbraw/zinc/26/46/90/1069264690.db2.gz KZFFDQIYTQGSQS-KRWDZBQOSA-N 1 1 455.525 4.129 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc(Nc3cccc(OC(F)(F)F)c3)cn2)cn1 ZINC000849609804 1069267437 /nfs/dbraw/zinc/26/74/37/1069267437.db2.gz ZDKMHOAGDGCNLV-UXHICEINSA-N 1 1 474.487 4.131 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2C)cn1 ZINC000849611573 1069272825 /nfs/dbraw/zinc/27/28/25/1069272825.db2.gz CPACHQZSULSDSP-IRXDYDNUSA-N 1 1 480.922 4.167 20 0 JIADMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc3c(Cl)ccc(Br)c3n2)cn1 ZINC000849611745 1069272900 /nfs/dbraw/zinc/27/29/00/1069272900.db2.gz ABAXQSWOWHSXAD-HIFRSBDPSA-N 1 1 462.779 4.058 20 0 JIADMO CC(C)[N@H+]1CC[C@H](C(=O)Nc2cc(-c3ccc(OC(F)F)cc3)no2)[C@H](c2cnn(C)c2)C1 ZINC000849612650 1069275685 /nfs/dbraw/zinc/27/56/85/1069275685.db2.gz MPXGSUUVRGPWNW-OALUTQOASA-N 1 1 459.497 4.129 20 0 JIADMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(F)cc2I)CC1 ZINC001354513237 1069282560 /nfs/dbraw/zinc/28/25/60/1069282560.db2.gz BLFYDQHFOVLFQC-IBGZPJMESA-N 1 1 452.311 4.339 20 0 JIADMO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(F)c(I)c2)CC1 ZINC001354515146 1069285193 /nfs/dbraw/zinc/28/51/93/1069285193.db2.gz PHWOZDMLTNUUAY-IBGZPJMESA-N 1 1 452.311 4.339 20 0 JIADMO COc1ccccc1OCc1nnc(N2CC[C@H](C(C)(C)C)C2)n1CCCn1cc[nH+]c1C ZINC001300636837 1069291785 /nfs/dbraw/zinc/29/17/85/1069291785.db2.gz HZCWZMCGYCENIN-FQEVSTJZSA-N 1 1 452.603 4.333 20 0 JIADMO COc1ccccc1OCc1nnc(N2C[C@@H](OC)C(C)(C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001300637906 1069295968 /nfs/dbraw/zinc/29/59/68/1069295968.db2.gz DBBKGZPGWCXNMQ-ZFGGDYGUSA-N 1 1 499.700 4.483 20 0 JIADMO CCOC(=O)c1cc2n(n1)CCCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164410120 718867076 /nfs/dbraw/zinc/86/70/76/718867076.db2.gz WZAJYMYIPYSEPB-KRWDZBQOSA-N 1 1 494.665 4.195 20 0 JIADMO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C[C@@H]3O2)n1 ZINC001164638068 719261118 /nfs/dbraw/zinc/26/11/18/719261118.db2.gz NITHGYBKOSSBPL-NYMACZPPSA-N 1 1 470.621 4.305 20 0 JIADMO CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3O2)n1 ZINC001164638068 719261119 /nfs/dbraw/zinc/26/11/19/719261119.db2.gz NITHGYBKOSSBPL-NYMACZPPSA-N 1 1 470.621 4.305 20 0 JIADMO c1sc([C@@H]2C[C@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@H]3O2)nc1C1CC1 ZINC001164645736 719288455 /nfs/dbraw/zinc/28/84/55/719288455.db2.gz LIVJUCIOTRAPJN-WDJPJFJCSA-N 1 1 459.619 4.335 20 0 JIADMO c1sc([C@@H]2C[C@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C[C@H]3O2)nc1C1CC1 ZINC001164645736 719288461 /nfs/dbraw/zinc/28/84/61/719288461.db2.gz LIVJUCIOTRAPJN-WDJPJFJCSA-N 1 1 459.619 4.335 20 0 JIADMO Cc1noc([C@@H]2C[C@@H]3CCN(c4nc(C[NH+]5CCCCC5)nc5sc6c(c54)CCC6)C[C@@H]3O2)n1 ZINC001164653097 719300358 /nfs/dbraw/zinc/30/03/58/719300358.db2.gz OBCGMGFLEADKRN-WDSOQIARSA-N 1 1 480.638 4.214 20 0 JIADMO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)n2)CC1 ZINC001164666452 719443245 /nfs/dbraw/zinc/44/32/45/719443245.db2.gz CMAYNKQELQGTJI-MOPGFXCFSA-N 1 1 469.680 4.171 20 0 JIADMO COc1cc2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2cc1OC ZINC001164674562 719502570 /nfs/dbraw/zinc/50/25/70/719502570.db2.gz ZUNFPPMGZVHOMZ-UHFFFAOYSA-N 1 1 486.975 4.311 20 0 JIADMO COc1cc2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2cc1OC ZINC001164674562 719502583 /nfs/dbraw/zinc/50/25/83/719502583.db2.gz ZUNFPPMGZVHOMZ-UHFFFAOYSA-N 1 1 486.975 4.311 20 0 JIADMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C)c3)c1)CC2 ZINC001164692855 719757280 /nfs/dbraw/zinc/75/72/80/719757280.db2.gz WDGNTFRTWGRYRF-UHFFFAOYSA-N 1 1 462.972 4.436 20 0 JIADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164694399 719808389 /nfs/dbraw/zinc/80/83/89/719808389.db2.gz WYKOKMWQUHYAFU-UHFFFAOYSA-N 1 1 482.075 4.429 20 0 JIADMO COC(=O)c1nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c2ccccc2c1OC ZINC001164692296 719815297 /nfs/dbraw/zinc/81/52/97/719815297.db2.gz PGRGXHJRPCUSLZ-UHFFFAOYSA-N 1 1 466.607 4.430 20 0 JIADMO COC[C@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)Cc2cn(C)nc21 ZINC001164696396 719832391 /nfs/dbraw/zinc/83/23/91/719832391.db2.gz SVTOTRFCULDTSY-GOSISDBHSA-N 1 1 466.655 4.040 20 0 JIADMO O=C1COC2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC2)CN1c1ccccc1 ZINC001164696393 719836149 /nfs/dbraw/zinc/83/61/49/719836149.db2.gz SVDOLINVGAZKBD-UHFFFAOYSA-N 1 1 468.601 4.042 20 0 JIADMO COc1cc2nc(Cl)c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc2cc1OC ZINC001164698186 719892804 /nfs/dbraw/zinc/89/28/04/719892804.db2.gz PKQSXZWQXQBFQI-UHFFFAOYSA-N 1 1 475.014 4.233 20 0 JIADMO CCOc1cc2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2cc1OCC ZINC001164698184 719892950 /nfs/dbraw/zinc/89/29/50/719892950.db2.gz PJZISPXUFPQRHI-UHFFFAOYSA-N 1 1 468.623 4.360 20 0 JIADMO Fc1cccc(Oc2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)c1 ZINC001164698295 719895612 /nfs/dbraw/zinc/89/56/12/719895612.db2.gz RBFJNPPOEWUNGQ-UHFFFAOYSA-N 1 1 475.977 4.389 20 0 JIADMO Fc1cccc(Oc2nc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2)c1 ZINC001164698295 719895616 /nfs/dbraw/zinc/89/56/16/719895616.db2.gz RBFJNPPOEWUNGQ-UHFFFAOYSA-N 1 1 475.977 4.389 20 0 JIADMO O=C(NC1CCCC1)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001164707330 719898816 /nfs/dbraw/zinc/89/88/16/719898816.db2.gz PMIXSXSSBXBENG-UHFFFAOYSA-N 1 1 475.058 4.340 20 0 JIADMO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164719456 720109731 /nfs/dbraw/zinc/10/97/31/720109731.db2.gz XEIMYQYVEZCXJL-FQEVSTJZSA-N 1 1 473.017 4.123 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cc(C)ccc31)CC2 ZINC001164717382 720118690 /nfs/dbraw/zinc/11/86/90/720118690.db2.gz ODJDJUHBRSJNBA-FQEVSTJZSA-N 1 1 452.002 4.494 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3cccc(OC)c31)CC2 ZINC001164715488 720121606 /nfs/dbraw/zinc/12/16/06/720121606.db2.gz GELIVBLNDKDZMD-IBGZPJMESA-N 1 1 468.001 4.194 20 0 JIADMO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc3cc(OC)c(OC)cc31)CC2 ZINC001164716236 720121686 /nfs/dbraw/zinc/12/16/86/720121686.db2.gz JLYYSXIXPMSWOO-JOCHJYFZSA-N 1 1 462.594 4.155 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc3cc(OC)c(OC)cc31)CC2 ZINC001164716236 720121693 /nfs/dbraw/zinc/12/16/93/720121693.db2.gz JLYYSXIXPMSWOO-JOCHJYFZSA-N 1 1 462.594 4.155 20 0 JIADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)CC2 ZINC001164714930 720126767 /nfs/dbraw/zinc/12/67/67/720126767.db2.gz FOPHEESJAAQESV-HXUWFJFHSA-N 1 1 498.990 4.359 20 0 JIADMO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3cc(OC)c(OC)cc3cn1)CC2 ZINC001164710549 720147037 /nfs/dbraw/zinc/14/70/37/720147037.db2.gz CFHMXOBRPSVPDA-QHCPKHFHSA-N 1 1 462.594 4.155 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3cc(OC)c(OC)cc3cn1)CC2 ZINC001164710549 720147060 /nfs/dbraw/zinc/14/70/60/720147060.db2.gz CFHMXOBRPSVPDA-QHCPKHFHSA-N 1 1 462.594 4.155 20 0 JIADMO CCOc1ccc(-c2ccc(N3CCC4(C[C@@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)nn2)cc1 ZINC001164710543 720148359 /nfs/dbraw/zinc/14/83/59/720148359.db2.gz CEYAVDQUXVGEAK-DEOSSOPVSA-N 1 1 473.621 4.445 20 0 JIADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)Oc1ccnc(Cl)c1)CC2 ZINC001164713876 720155190 /nfs/dbraw/zinc/15/51/90/720155190.db2.gz TXISPUYTCMBBCR-SFHVURJKSA-N 1 1 452.933 4.062 20 0 JIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164815654 720170562 /nfs/dbraw/zinc/17/05/62/720170562.db2.gz ISDFARGWWSPNBS-LYZGTLIUSA-N 1 1 495.737 4.351 20 0 JIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164815660 720170952 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CCS(=O)(=O)c1cc(C(F)(F)N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cnc1Cl ZINC001164795209 721504429 /nfs/dbraw/zinc/50/44/29/721504429.db2.gz HGWDGLCXNPQHGZ-UHFFFAOYSA-N 1 1 499.027 4.350 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1Cl ZINC001164897625 721522871 /nfs/dbraw/zinc/52/28/71/721522871.db2.gz GCVLZFBZZPLSJI-ZBFHGGJFSA-N 1 1 454.329 4.046 20 0 JIADMO CCOC(=O)c1cnc(Cl)c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1Cl ZINC001164897625 721522873 /nfs/dbraw/zinc/52/28/73/721522873.db2.gz GCVLZFBZZPLSJI-ZBFHGGJFSA-N 1 1 454.329 4.046 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ncc(Cl)nc3c2)[C@H]2CCCO[C@H]12 ZINC001164809581 721538126 /nfs/dbraw/zinc/53/81/26/721538126.db2.gz VLRDZIATIRGSTD-VWPQPMDRSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc3ncc(Cl)nc3c2)[C@H]2CCCO[C@H]12 ZINC001164809581 721538129 /nfs/dbraw/zinc/53/81/29/721538129.db2.gz VLRDZIATIRGSTD-VWPQPMDRSA-N 1 1 459.928 4.091 20 0 JIADMO Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5cccnc5)n4)CC[N@H+]3C2)c1 ZINC001164905922 721551999 /nfs/dbraw/zinc/55/19/99/721551999.db2.gz IBHWMZNMIPQUJF-HKUYNNGSSA-N 1 1 475.902 4.218 20 0 JIADMO CN(Cc1cccnc1)[C@@H]1CN(c2[nH+]ccc3c2ccn3Cc2ccccc2)[C@@H]2CCCO[C@@H]12 ZINC001164804655 721561464 /nfs/dbraw/zinc/56/14/64/721561464.db2.gz LENCKRHPJIFHHB-ZONZVBGPSA-N 1 1 453.590 4.348 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc3ccccc3nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164799630 721564422 /nfs/dbraw/zinc/56/44/22/721564422.db2.gz CZLHQNCSNVNPLI-VAMGGRTRSA-N 1 1 459.928 4.091 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc3ccccc3nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164799630 721564427 /nfs/dbraw/zinc/56/44/27/721564427.db2.gz CZLHQNCSNVNPLI-VAMGGRTRSA-N 1 1 459.928 4.091 20 0 JIADMO Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c12 ZINC001164802597 721577846 /nfs/dbraw/zinc/57/78/46/721577846.db2.gz GZRYSVJUZVMZCM-OHSXHVKISA-N 1 1 482.632 4.360 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccc(Cl)nn3)ccc2F)[C@@H]2CCCO[C@@H]12 ZINC001164799318 721583801 /nfs/dbraw/zinc/58/38/01/721583801.db2.gz AREHFVRKASNTJU-KIFXHHALSA-N 1 1 453.949 4.199 20 0 JIADMO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc1 ZINC001164811532 721589067 /nfs/dbraw/zinc/58/90/67/721589067.db2.gz YDYWQPNRTORLJQ-PUHATCMVSA-N 1 1 465.985 4.494 20 0 JIADMO Cc1ccc(Oc2nc(Cl)ncc2N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc1 ZINC001164811532 721589068 /nfs/dbraw/zinc/58/90/68/721589068.db2.gz YDYWQPNRTORLJQ-PUHATCMVSA-N 1 1 465.985 4.494 20 0 JIADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2F)[C@H]2CCCO[C@H]12 ZINC001164801025 721589459 /nfs/dbraw/zinc/58/94/59/721589459.db2.gz DKUKUZLTSFIHGP-DWLFOUALSA-N 1 1 469.948 4.325 20 0 JIADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2F)[C@H]2CCCO[C@H]12 ZINC001164801025 721589460 /nfs/dbraw/zinc/58/94/60/721589460.db2.gz DKUKUZLTSFIHGP-DWLFOUALSA-N 1 1 469.948 4.325 20 0 JIADMO 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COC(=O)c1cc(C(F)(F)N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cnc1Cl ZINC001164908416 721751124 /nfs/dbraw/zinc/75/11/24/721751124.db2.gz IIDQGNCSQJJBGO-UHFFFAOYSA-N 1 1 476.911 4.249 20 0 JIADMO COC(=O)c1cc(C(F)(F)N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cnc1Cl ZINC001164908416 721751126 /nfs/dbraw/zinc/75/11/26/721751126.db2.gz IIDQGNCSQJJBGO-UHFFFAOYSA-N 1 1 476.911 4.249 20 0 JIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@H]3C2)nc1 ZINC001165012561 721754535 /nfs/dbraw/zinc/75/45/35/721754535.db2.gz FDFKBPYUBSVTCF-CWTOASCOSA-N 1 1 491.680 4.004 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)C2 ZINC001164910673 721757204 /nfs/dbraw/zinc/75/72/04/721757204.db2.gz PLHMLVVEYWJNOP-UHFFFAOYSA-N 1 1 470.911 4.406 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)C2 ZINC001164910673 721757205 /nfs/dbraw/zinc/75/72/05/721757205.db2.gz PLHMLVVEYWJNOP-UHFFFAOYSA-N 1 1 470.911 4.406 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)C2 ZINC001164909477 721763072 /nfs/dbraw/zinc/76/30/72/721763072.db2.gz BCUGFEDYYOQSSE-QFIPXVFZSA-N 1 1 481.906 4.118 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)C2 ZINC001164909477 721763074 /nfs/dbraw/zinc/76/30/74/721763074.db2.gz BCUGFEDYYOQSSE-QFIPXVFZSA-N 1 1 481.906 4.118 20 0 JIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3ccncc3)nc3c1CCC3)C2 ZINC001164910420 721764208 /nfs/dbraw/zinc/76/42/08/721764208.db2.gz FTOXSEUGICUAIL-UHFFFAOYSA-N 1 1 452.562 4.210 20 0 JIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3ccncc3)nc3c1CCC3)C2 ZINC001164910420 721764209 /nfs/dbraw/zinc/76/42/09/721764209.db2.gz FTOXSEUGICUAIL-UHFFFAOYSA-N 1 1 452.562 4.210 20 0 JIADMO O=C(c1ccco1)N1C[C@@H]2CCCN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)[C@@H]2C1 ZINC001165015773 721772344 /nfs/dbraw/zinc/77/23/44/721772344.db2.gz MUHFVRBLHOKPKU-AZUAARDMSA-N 1 1 491.661 4.500 20 0 JIADMO O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001165014448 721772392 /nfs/dbraw/zinc/77/23/92/721772392.db2.gz CSGDBZROFJGFME-ICSRJNTNSA-N 1 1 491.661 4.500 20 0 JIADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164916976 721786506 /nfs/dbraw/zinc/78/65/06/721786506.db2.gz UKBNHLRHJVRWSZ-GDLZYMKVSA-N 1 1 499.590 4.247 20 0 JIADMO Cc1ccc2nc(-c3ccccc3F)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164916976 721786510 /nfs/dbraw/zinc/78/65/10/721786510.db2.gz UKBNHLRHJVRWSZ-GDLZYMKVSA-N 1 1 499.590 4.247 20 0 JIADMO FC1(F)CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C[C@@]12CCN(c1cnccn1)C2 ZINC001164916962 721802296 /nfs/dbraw/zinc/80/22/96/721802296.db2.gz TXAQEMGJADOXRR-AREMUKBSSA-N 1 1 476.575 4.172 20 0 JIADMO COC(=O)c1ccc2nc(Cl)c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc2c1 ZINC001165028191 721802513 /nfs/dbraw/zinc/80/25/13/721802513.db2.gz ZAZRXSNARNAUSR-JLMWRMLUSA-N 1 1 465.985 4.202 20 0 JIADMO 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CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164997319 722199430 /nfs/dbraw/zinc/19/94/30/722199430.db2.gz ZHRSMQCZRJODMZ-JOCHJYFZSA-N 1 1 464.994 4.413 20 0 JIADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(-c4ccc(Oc5ccccc5)cc4)nn2)CC3)CC1 ZINC001165001752 722238952 /nfs/dbraw/zinc/23/89/52/722238952.db2.gz LKRBQDZUEAKZNE-UHFFFAOYSA-N 1 1 493.615 4.083 20 0 JIADMO