smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1nc2ccccc2n1CCN1CCCCC1)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Br)n1)(C3)C2 ZINC000000696092 551528025 /nfs/dbraw/zinc/52/80/25/551528025.db2.gz STDAPKGDHURKNT-YDXVBCDDSA-N 0 3 552.521 4.810 50 0 KJAAHN CC(C)N(CC(=O)Nc1nc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cs1)C(=O)c1ccc(Cl)cc1 ZINC000000699316 551528675 /nfs/dbraw/zinc/52/86/75/551528675.db2.gz PIXWLTJIVIHDRD-UHFFFAOYSA-N 0 3 568.143 4.609 50 0 KJAAHN O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CCN2CCC[C@H]2C1 ZINC000000999545 551595418 /nfs/dbraw/zinc/59/54/18/551595418.db2.gz UTDNFSHITUPIRW-JYJNAYRXSA-N 0 3 532.792 4.880 50 0 KJAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000001118415 551612518 /nfs/dbraw/zinc/61/25/18/551612518.db2.gz WATQBNCOTPQQEK-QFIPXVFZSA-N 0 3 529.431 4.774 50 0 KJAAHN CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000001118417 551612524 /nfs/dbraw/zinc/61/25/24/551612524.db2.gz WATQBNCOTPQQEK-JOCHJYFZSA-N 0 3 529.431 4.774 50 0 KJAAHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000001279742 551636417 /nfs/dbraw/zinc/63/64/17/551636417.db2.gz GSQZDYYGRHMAIA-PCCBWWKXSA-N 0 3 555.008 4.724 50 0 KJAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000001314995 551640493 /nfs/dbraw/zinc/64/04/93/551640493.db2.gz DBDWNCIYSTXCGQ-YTCPBCGMSA-N 0 3 550.567 4.974 50 0 KJAAHN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N32)cc1OC ZINC000001318672 551640996 /nfs/dbraw/zinc/64/09/96/551640996.db2.gz PQGNYQDJJXBURB-DODOAAEWSA-N 0 3 578.713 4.925 50 0 biogenic KJAAHN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N23)cc1OC ZINC000001318674 551641017 /nfs/dbraw/zinc/64/10/17/551641017.db2.gz PQGNYQDJJXBURB-ZBWWXOROSA-N 0 3 578.713 4.925 50 0 biogenic KJAAHN Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000001494900 551683023 /nfs/dbraw/zinc/68/30/23/551683023.db2.gz AXRCEOKUDYDWLF-UHFFFAOYSA-N 0 3 515.617 4.932 50 0 investigational KJAAHN COc1ccc(N(C[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001750708 551692998 /nfs/dbraw/zinc/69/29/98/551692998.db2.gz HXDVGLPEQYGWAO-MUUNZHRXSA-N 0 3 516.663 4.954 50 0 KJAAHN COc1ccc(N(C[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001750711 551693048 /nfs/dbraw/zinc/69/30/48/551693048.db2.gz HXDVGLPEQYGWAO-NDEPHWFRSA-N 0 3 516.663 4.954 50 0 KJAAHN COc1ccccc1N(C[C@H](O)CN(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000001836730 551712642 /nfs/dbraw/zinc/71/26/42/551712642.db2.gz KVEXYKWIDDPDKL-HHHXNRCGSA-N 0 3 516.663 4.954 50 0 KJAAHN COc1ccccc1N(C[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000001836732 551712655 /nfs/dbraw/zinc/71/26/55/551712655.db2.gz KVEXYKWIDDPDKL-MHZLTWQESA-N 0 3 516.663 4.954 50 0 KJAAHN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N32)c(OC)c1 ZINC000002105044 551762856 /nfs/dbraw/zinc/76/28/56/551762856.db2.gz SAHIQQLPRMEPKM-ZQAZVOLISA-N 0 3 564.686 4.535 50 0 biogenic KJAAHN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N23)c(OC)c1 ZINC000002105046 551762821 /nfs/dbraw/zinc/76/28/21/551762821.db2.gz SAHIQQLPRMEPKM-RYCFQHDISA-N 0 3 564.686 4.535 50 0 biogenic KJAAHN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N32)c1 ZINC000002105071 551762845 /nfs/dbraw/zinc/76/28/45/551762845.db2.gz ABTJXKKRXKCLMX-NYDCQLBNSA-N 0 3 534.660 4.526 50 0 biogenic KJAAHN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N23)c1 ZINC000002105073 551762830 /nfs/dbraw/zinc/76/28/30/551762830.db2.gz ABTJXKKRXKCLMX-BHDXBOSCSA-N 0 3 534.660 4.526 50 0 biogenic KJAAHN CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCN(Cc4ccccc4)CC3)CC(=O)N21 ZINC000002108999 551766565 /nfs/dbraw/zinc/76/65/65/551766565.db2.gz SEQYUZRVTACMGK-ZQAZVOLISA-N 0 3 548.687 4.916 50 0 biogenic KJAAHN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCN(Cc4ccccc4)CC3)CC(=O)N12 ZINC000002109001 551766579 /nfs/dbraw/zinc/76/65/79/551766579.db2.gz SEQYUZRVTACMGK-RYCFQHDISA-N 0 3 548.687 4.916 50 0 biogenic KJAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000002110104 551766922 /nfs/dbraw/zinc/76/69/22/551766922.db2.gz AYLWCNKBMCMEMF-GDLZYMKVSA-N 0 3 500.618 4.882 50 0 biogenic KJAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000002110106 551766914 /nfs/dbraw/zinc/76/69/14/551766914.db2.gz AYLWCNKBMCMEMF-LJAQVGFWSA-N 0 3 500.618 4.882 50 0 biogenic KJAAHN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCN(Cc4ccccc4)CC3)CC(=O)N21 ZINC000002111219 551767273 /nfs/dbraw/zinc/76/72/73/551767273.db2.gz MEWHADDSCOJICJ-IUDBTDONSA-N 0 3 534.660 4.526 50 0 biogenic KJAAHN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCN(Cc4ccccc4)CC3)CC(=O)N12 ZINC000002111221 551767277 /nfs/dbraw/zinc/76/72/77/551767277.db2.gz MEWHADDSCOJICJ-GMCHKSTQSA-N 0 3 534.660 4.526 50 0 biogenic KJAAHN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCN(Cc4ccccc4)CC3)CC(=O)N21 ZINC000002111358 551767567 /nfs/dbraw/zinc/76/75/67/551767567.db2.gz CHYVHPACLVGGSC-NYDCQLBNSA-N 0 3 518.661 4.826 50 0 biogenic KJAAHN Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCN(Cc4ccccc4)CC3)CC(=O)N12 ZINC000002111360 551767533 /nfs/dbraw/zinc/76/75/33/551767533.db2.gz CHYVHPACLVGGSC-BHDXBOSCSA-N 0 3 518.661 4.826 50 0 biogenic KJAAHN O=C1CN(C2CCN(Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N12 ZINC000002113157 551768489 /nfs/dbraw/zinc/76/84/89/551768489.db2.gz PXNBSMOCEURPOE-QCENPCRXSA-N 0 3 504.634 4.517 50 0 biogenic KJAAHN O=C1CN(C2CCN(Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N12 ZINC000002113159 551768504 /nfs/dbraw/zinc/76/85/04/551768504.db2.gz PXNBSMOCEURPOE-IZEXYCQBSA-N 0 3 504.634 4.517 50 0 biogenic KJAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(CN2CCN(c3ccccc3F)CC2)c1 ZINC000002139730 551774590 /nfs/dbraw/zinc/77/45/90/551774590.db2.gz WMPSEVNCLVTXND-GDLZYMKVSA-N 0 3 500.618 4.882 50 0 biogenic KJAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(CN2CCN(c3ccccc3F)CC2)c1 ZINC000002139732 551774572 /nfs/dbraw/zinc/77/45/72/551774572.db2.gz WMPSEVNCLVTXND-LJAQVGFWSA-N 0 3 500.618 4.882 50 0 biogenic KJAAHN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC4CCN(Cc5ccccc5)CC4)CC(=O)N32)cc1 ZINC000002148437 551776956 /nfs/dbraw/zinc/77/69/56/551776956.db2.gz ABTJLQWLGXFFDJ-DITALETJSA-N 0 3 548.687 4.774 50 0 biogenic KJAAHN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC4CCN(Cc5ccccc5)CC4)CC(=O)N23)cc1 ZINC000002148440 551776915 /nfs/dbraw/zinc/77/69/15/551776915.db2.gz ABTJLQWLGXFFDJ-BZKUTMRRSA-N 0 3 548.687 4.774 50 0 biogenic KJAAHN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N32)cc1OC ZINC000002156531 551779700 /nfs/dbraw/zinc/77/97/00/551779700.db2.gz PNKMNRNCPUVNSN-UVMMSNCQSA-N 0 3 564.686 4.535 50 0 biogenic KJAAHN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N23)cc1OC ZINC000002156536 551779752 /nfs/dbraw/zinc/77/97/52/551779752.db2.gz PNKMNRNCPUVNSN-QPQHGXMVSA-N 0 3 564.686 4.535 50 0 biogenic KJAAHN O=C(NCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000002190369 551789483 /nfs/dbraw/zinc/78/94/83/551789483.db2.gz RVNQGBQBTQGUTJ-UHFFFAOYSA-N 0 3 558.726 4.963 50 0 biogenic,in-vitro KJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000002412651 552113920 /nfs/dbraw/zinc/11/39/20/552113920.db2.gz HIWDNABESQCEPP-ZONZVBGPSA-N 0 3 544.560 4.645 50 0 KJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000002414884 552114553 /nfs/dbraw/zinc/11/45/53/552114553.db2.gz GZQFZDNPGFECFD-ZONZVBGPSA-N 0 3 526.570 4.505 50 0 KJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000002417860 552115123 /nfs/dbraw/zinc/11/51/23/552115123.db2.gz MNBFKRRRPRIYNW-ZONZVBGPSA-N 0 3 526.570 4.505 50 0 KJAAHN C[NH+](C)CCCn1c(SCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)nc2ccccc2c1=O ZINC000002618871 552137552 /nfs/dbraw/zinc/13/75/52/552137552.db2.gz CSRHJVLIXQLANZ-UHFFFAOYSA-N 0 3 503.653 4.606 50 0 KJAAHN O=C(c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl)N1CCN2CCC[C@H]2C1 ZINC000002753558 552176842 /nfs/dbraw/zinc/17/68/42/552176842.db2.gz UMLUYGSPMDBPEQ-AWEZNQCLSA-N 0 3 528.760 4.751 50 0 KJAAHN O=C(c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl)N1CCN2CCC[C@@H]2C1 ZINC000002753559 552176846 /nfs/dbraw/zinc/17/68/46/552176846.db2.gz UMLUYGSPMDBPEQ-CQSZACIVSA-N 0 3 528.760 4.751 50 0 KJAAHN Cc1ccc(CN2CCN(C(=S)NCC(=O)NCc3ccc(F)cc3Cl)CC23CCCCC3)cc1 ZINC000002943353 552227994 /nfs/dbraw/zinc/22/79/94/552227994.db2.gz GTXFQBHSTBKMJL-UHFFFAOYSA-N 0 3 517.114 4.799 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@@H](c2cccc(Cl)c2)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000002959896 552233475 /nfs/dbraw/zinc/23/34/75/552233475.db2.gz HESLAXFJYDRETO-ZLNRFVROSA-N 0 3 554.828 4.761 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@@H](c2ccccc2Cl)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000002959897 552233409 /nfs/dbraw/zinc/23/34/09/552233409.db2.gz IFSOWNAICFQDNX-ZLNRFVROSA-N 0 3 554.828 4.761 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@@H](c2ccc(SC)cc2)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000002959908 552233446 /nfs/dbraw/zinc/23/34/46/552233446.db2.gz MNWWZZSIMSKFSL-SMIHKQSGSA-N 0 3 566.477 4.830 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@@H](c2ccccc2OCC)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000002959910 552233498 /nfs/dbraw/zinc/23/34/98/552233498.db2.gz PFPLKXKFYKWWIW-SDHSZQHLSA-N 0 3 564.436 4.506 50 0 KJAAHN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N32)cc1 ZINC000002967751 552238181 /nfs/dbraw/zinc/23/81/81/552238181.db2.gz OHMUKYXJJDBCOS-QHCPKHFHSA-N 0 3 545.690 4.908 50 0 KJAAHN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N32)cc1 ZINC000002967752 552238225 /nfs/dbraw/zinc/23/82/25/552238225.db2.gz OHMUKYXJJDBCOS-HSZRJFAPSA-N 0 3 545.690 4.908 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002967792 552238536 /nfs/dbraw/zinc/23/85/36/552238536.db2.gz QNRFIWMWIWNMQZ-GOTSBHOMSA-N 0 3 545.690 4.872 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002967794 552238394 /nfs/dbraw/zinc/23/83/94/552238394.db2.gz QNRFIWMWIWNMQZ-XZOQPEGZSA-N 0 3 545.690 4.872 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002967796 552238602 /nfs/dbraw/zinc/23/86/02/552238602.db2.gz QNRFIWMWIWNMQZ-PKTZIBPZSA-N 0 3 545.690 4.872 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002967797 552238509 /nfs/dbraw/zinc/23/85/09/552238509.db2.gz QNRFIWMWIWNMQZ-DHIUTWEWSA-N 0 3 545.690 4.872 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000002967799 552238402 /nfs/dbraw/zinc/23/84/02/552238402.db2.gz PBLNIJZZHQZBGL-GOTSBHOMSA-N 0 3 561.689 4.572 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000002967801 552238411 /nfs/dbraw/zinc/23/84/11/552238411.db2.gz PBLNIJZZHQZBGL-XZOQPEGZSA-N 0 3 561.689 4.572 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000002967803 552238516 /nfs/dbraw/zinc/23/85/16/552238516.db2.gz PBLNIJZZHQZBGL-PKTZIBPZSA-N 0 3 561.689 4.572 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000002967805 552238561 /nfs/dbraw/zinc/23/85/61/552238561.db2.gz PBLNIJZZHQZBGL-DHIUTWEWSA-N 0 3 561.689 4.572 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000002967807 552238471 /nfs/dbraw/zinc/23/84/71/552238471.db2.gz INCYUWAWJHVDQV-ZEQRLZLVSA-N 0 3 559.717 4.550 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000002967809 552238432 /nfs/dbraw/zinc/23/84/32/552238432.db2.gz INCYUWAWJHVDQV-BJKOFHAPSA-N 0 3 559.717 4.550 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000002967811 552238530 /nfs/dbraw/zinc/23/85/30/552238530.db2.gz INCYUWAWJHVDQV-RPWUZVMVSA-N 0 3 559.717 4.550 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000002967813 552238521 /nfs/dbraw/zinc/23/85/21/552238521.db2.gz INCYUWAWJHVDQV-DNQXCXABSA-N 0 3 559.717 4.550 50 0 KJAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccco4)C(=O)N32)cc1 ZINC000002967917 552238648 /nfs/dbraw/zinc/23/86/48/552238648.db2.gz AZFUPNOOJIQHLJ-BJKOFHAPSA-N 0 3 543.649 4.658 50 0 KJAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccco4)C(=O)N32)cc1 ZINC000002967919 552238778 /nfs/dbraw/zinc/23/87/78/552238778.db2.gz AZFUPNOOJIQHLJ-ZEQRLZLVSA-N 0 3 543.649 4.658 50 0 KJAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccco4)C(=O)N32)cc1 ZINC000002967920 552238702 /nfs/dbraw/zinc/23/87/02/552238702.db2.gz AZFUPNOOJIQHLJ-DNQXCXABSA-N 0 3 543.649 4.658 50 0 KJAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccco4)C(=O)N32)cc1 ZINC000002967921 552238766 /nfs/dbraw/zinc/23/87/66/552238766.db2.gz AZFUPNOOJIQHLJ-RPWUZVMVSA-N 0 3 543.649 4.658 50 0 KJAAHN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NC4CCCCC4)C(=O)N32)cc1 ZINC000002967994 552239080 /nfs/dbraw/zinc/23/90/80/552239080.db2.gz SKYSODUAJVMVNL-DEOSSOPVSA-N 0 3 531.682 4.979 50 0 KJAAHN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NC4CCCCC4)C(=O)N32)cc1 ZINC000002967995 552239046 /nfs/dbraw/zinc/23/90/46/552239046.db2.gz SKYSODUAJVMVNL-XMMPIXPASA-N 0 3 531.682 4.979 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968025 552238986 /nfs/dbraw/zinc/23/89/86/552238986.db2.gz UXCQDPOJVQBSOH-ZEQRLZLVSA-N 0 3 531.682 4.943 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968027 552238900 /nfs/dbraw/zinc/23/89/00/552238900.db2.gz UXCQDPOJVQBSOH-BJKOFHAPSA-N 0 3 531.682 4.943 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968028 552238963 /nfs/dbraw/zinc/23/89/63/552238963.db2.gz UXCQDPOJVQBSOH-RPWUZVMVSA-N 0 3 531.682 4.943 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968030 552238993 /nfs/dbraw/zinc/23/89/93/552238993.db2.gz UXCQDPOJVQBSOH-DNQXCXABSA-N 0 3 531.682 4.943 50 0 KJAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccc(Cl)cc3)N2C1=O ZINC000002968092 552239323 /nfs/dbraw/zinc/23/93/23/552239323.db2.gz XFFRUXUZIULYNW-SFTDATJTSA-N 0 3 526.062 4.755 50 0 KJAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccc(Cl)cc3)N2C1=O ZINC000002968095 552239348 /nfs/dbraw/zinc/23/93/48/552239348.db2.gz XFFRUXUZIULYNW-RTWAWAEBSA-N 0 3 526.062 4.755 50 0 KJAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccc(Cl)cc3)N2C1=O ZINC000002968097 552239213 /nfs/dbraw/zinc/23/92/13/552239213.db2.gz XFFRUXUZIULYNW-LEWJYISDSA-N 0 3 526.062 4.755 50 0 KJAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccc(Cl)cc3)N2C1=O ZINC000002968098 552239248 /nfs/dbraw/zinc/23/92/48/552239248.db2.gz XFFRUXUZIULYNW-NHCUHLMSSA-N 0 3 526.062 4.755 50 0 KJAAHN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccccc4)C(=O)N32)cc1 ZINC000002968188 552239354 /nfs/dbraw/zinc/23/93/54/552239354.db2.gz ORURYCQIBLCMLQ-VWLOTQADSA-N 0 3 539.661 4.847 50 0 KJAAHN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccccc4)C(=O)N32)cc1 ZINC000002968190 552239254 /nfs/dbraw/zinc/23/92/54/552239254.db2.gz ORURYCQIBLCMLQ-RUZDIDTESA-N 0 3 539.661 4.847 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968225 552239653 /nfs/dbraw/zinc/23/96/53/552239653.db2.gz QBLQHJYJPRQQSR-DQEYMECFSA-N 0 3 539.661 4.811 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968227 552239617 /nfs/dbraw/zinc/23/96/17/552239617.db2.gz QBLQHJYJPRQQSR-LOSJGSFVSA-N 0 3 539.661 4.811 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968229 552239561 /nfs/dbraw/zinc/23/95/61/552239561.db2.gz QBLQHJYJPRQQSR-RPBOFIJWSA-N 0 3 539.661 4.811 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968230 552239488 /nfs/dbraw/zinc/23/94/88/552239488.db2.gz QBLQHJYJPRQQSR-JWQCQUIFSA-N 0 3 539.661 4.811 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1ccccc1OC ZINC000002968232 552239529 /nfs/dbraw/zinc/23/95/29/552239529.db2.gz KTSZMPOWVXYYRJ-ZCYQVOJMSA-N 0 3 555.660 4.511 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1ccccc1OC ZINC000002968234 552239610 /nfs/dbraw/zinc/23/96/10/552239610.db2.gz KTSZMPOWVXYYRJ-UKILVPOCSA-N 0 3 555.660 4.511 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1ccccc1OC ZINC000002968236 552239495 /nfs/dbraw/zinc/23/94/95/552239495.db2.gz KTSZMPOWVXYYRJ-NOZRDPDXSA-N 0 3 555.660 4.511 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1ccccc1OC ZINC000002968238 552239603 /nfs/dbraw/zinc/23/96/03/552239603.db2.gz KTSZMPOWVXYYRJ-ILBGXUMGSA-N 0 3 555.660 4.511 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000002968240 552239631 /nfs/dbraw/zinc/23/96/31/552239631.db2.gz NYBPVIQWLHBRRH-DQEYMECFSA-N 0 3 555.660 4.511 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000002968242 552239577 /nfs/dbraw/zinc/23/95/77/552239577.db2.gz NYBPVIQWLHBRRH-LOSJGSFVSA-N 0 3 555.660 4.511 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000002968252 552239836 /nfs/dbraw/zinc/23/98/36/552239836.db2.gz NYBPVIQWLHBRRH-RPBOFIJWSA-N 0 3 555.660 4.511 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000002968254 552239807 /nfs/dbraw/zinc/23/98/07/552239807.db2.gz NYBPVIQWLHBRRH-JWQCQUIFSA-N 0 3 555.660 4.511 50 0 KJAAHN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc(F)cc4)C(=O)N32)cc1 ZINC000002968323 552239833 /nfs/dbraw/zinc/23/98/33/552239833.db2.gz ORKZDPQPRCHWRH-VWLOTQADSA-N 0 3 557.651 4.986 50 0 KJAAHN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc(F)cc4)C(=O)N32)cc1 ZINC000002968324 552239799 /nfs/dbraw/zinc/23/97/99/552239799.db2.gz ORKZDPQPRCHWRH-RUZDIDTESA-N 0 3 557.651 4.986 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968362 552240092 /nfs/dbraw/zinc/24/00/92/552240092.db2.gz NKXPDTMIBQTBGK-DQEYMECFSA-N 0 3 557.651 4.950 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968363 552240106 /nfs/dbraw/zinc/24/01/06/552240106.db2.gz NKXPDTMIBQTBGK-LOSJGSFVSA-N 0 3 557.651 4.950 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968364 552240127 /nfs/dbraw/zinc/24/01/27/552240127.db2.gz NKXPDTMIBQTBGK-RPBOFIJWSA-N 0 3 557.651 4.950 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968367 552240076 /nfs/dbraw/zinc/24/00/76/552240076.db2.gz NKXPDTMIBQTBGK-JWQCQUIFSA-N 0 3 557.651 4.950 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000002968369 552240100 /nfs/dbraw/zinc/24/01/00/552240100.db2.gz GHSAKOXKMCYNDP-DQEYMECFSA-N 0 3 573.650 4.650 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000002968370 552240131 /nfs/dbraw/zinc/24/01/31/552240131.db2.gz GHSAKOXKMCYNDP-LOSJGSFVSA-N 0 3 573.650 4.650 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000002968371 552240181 /nfs/dbraw/zinc/24/01/81/552240181.db2.gz GHSAKOXKMCYNDP-RPBOFIJWSA-N 0 3 573.650 4.650 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000002968373 552240150 /nfs/dbraw/zinc/24/01/50/552240150.db2.gz GHSAKOXKMCYNDP-JWQCQUIFSA-N 0 3 573.650 4.650 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000002968375 552240425 /nfs/dbraw/zinc/24/04/25/552240425.db2.gz YYTQNNHOSBWSHA-UIOOFZCWSA-N 0 3 571.678 4.627 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000002968377 552240473 /nfs/dbraw/zinc/24/04/73/552240473.db2.gz YYTQNNHOSBWSHA-IZZNHLLZSA-N 0 3 571.678 4.627 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000002968378 552240383 /nfs/dbraw/zinc/24/03/83/552240383.db2.gz YYTQNNHOSBWSHA-FTJBHMTQSA-N 0 3 571.678 4.627 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000002968379 552240440 /nfs/dbraw/zinc/24/04/40/552240440.db2.gz YYTQNNHOSBWSHA-CLJLJLNGSA-N 0 3 571.678 4.627 50 0 KJAAHN COc1ccc(CNC(=O)CC2N=C3c4ccccc4N=C(SCC(=O)Nc4ccc(C(C)C)cc4)N3C2=O)cc1 ZINC000002968435 552240913 /nfs/dbraw/zinc/24/09/13/552240913.db2.gz IMVWMNXLCXHPCX-SANMLTNESA-N 0 3 569.687 4.856 50 0 KJAAHN COc1ccc(CNC(=O)CC2N=C3c4ccccc4N=C(SCC(=O)Nc4ccc(C(C)C)cc4)N3C2=O)cc1 ZINC000002968437 552240816 /nfs/dbraw/zinc/24/08/16/552240816.db2.gz IMVWMNXLCXHPCX-AREMUKBSSA-N 0 3 569.687 4.856 50 0 KJAAHN COc1ccc(CNC(=O)CC2N=C3c4ccccc4N=C(SCc4ccccc4Cl)N3C2=O)cc1 ZINC000002968450 552240775 /nfs/dbraw/zinc/24/07/75/552240775.db2.gz UKPJNCWKPNRJTO-QHCPKHFHSA-N 0 3 519.026 4.947 50 0 KJAAHN COc1ccc(CNC(=O)CC2N=C3c4ccccc4N=C(SCc4ccccc4Cl)N3C2=O)cc1 ZINC000002968452 552240759 /nfs/dbraw/zinc/24/07/59/552240759.db2.gz UKPJNCWKPNRJTO-HSZRJFAPSA-N 0 3 519.026 4.947 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968461 552240799 /nfs/dbraw/zinc/24/07/99/552240799.db2.gz HREVCNYIWHEYKR-UIOOFZCWSA-N 0 3 569.687 4.819 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968463 552240863 /nfs/dbraw/zinc/24/08/63/552240863.db2.gz HREVCNYIWHEYKR-IZZNHLLZSA-N 0 3 569.687 4.819 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968466 552240738 /nfs/dbraw/zinc/24/07/38/552240738.db2.gz HREVCNYIWHEYKR-FTJBHMTQSA-N 0 3 569.687 4.819 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968468 552240878 /nfs/dbraw/zinc/24/08/78/552240878.db2.gz HREVCNYIWHEYKR-CLJLJLNGSA-N 0 3 569.687 4.819 50 0 KJAAHN COc1ccc(CNC(=O)CC2N=C3c4ccccc4N=C(SCc4ccc(C)cc4C)N3C2=O)cc1 ZINC000002968480 552240732 /nfs/dbraw/zinc/24/07/32/552240732.db2.gz XZTQKSGKKBTLPE-VWLOTQADSA-N 0 3 512.635 4.910 50 0 KJAAHN COc1ccc(CNC(=O)CC2N=C3c4ccccc4N=C(SCc4ccc(C)cc4C)N3C2=O)cc1 ZINC000002968482 552240892 /nfs/dbraw/zinc/24/08/92/552240892.db2.gz XZTQKSGKKBTLPE-RUZDIDTESA-N 0 3 512.635 4.910 50 0 KJAAHN COc1ccccc1CNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(C(C)C)cc3)N2C1=O ZINC000002968533 552241083 /nfs/dbraw/zinc/24/10/83/552241083.db2.gz NOVTVAPNXFNRLL-VWLOTQADSA-N 0 3 569.687 4.856 50 0 KJAAHN COc1ccccc1CNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(C(C)C)cc3)N2C1=O ZINC000002968535 552241128 /nfs/dbraw/zinc/24/11/28/552241128.db2.gz NOVTVAPNXFNRLL-RUZDIDTESA-N 0 3 569.687 4.856 50 0 KJAAHN COc1ccccc1CNC(=O)CC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O ZINC000002968544 552241132 /nfs/dbraw/zinc/24/11/32/552241132.db2.gz DEKGKGUUFQSART-QFIPXVFZSA-N 0 3 519.026 4.947 50 0 KJAAHN COc1ccccc1CNC(=O)CC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O ZINC000002968546 552241099 /nfs/dbraw/zinc/24/10/99/552241099.db2.gz DEKGKGUUFQSART-JOCHJYFZSA-N 0 3 519.026 4.947 50 0 KJAAHN COc1ccccc1CNC(=O)CC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O ZINC000002968548 552241094 /nfs/dbraw/zinc/24/10/94/552241094.db2.gz VDWPGRATMLZEQY-QFIPXVFZSA-N 0 3 519.026 4.947 50 0 KJAAHN COc1ccccc1CNC(=O)CC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O ZINC000002968550 552241096 /nfs/dbraw/zinc/24/10/96/552241096.db2.gz VDWPGRATMLZEQY-JOCHJYFZSA-N 0 3 519.026 4.947 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3OC)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968560 552241516 /nfs/dbraw/zinc/24/15/16/552241516.db2.gz IXAMKZUWVUZKBW-AHWVRZQESA-N 0 3 569.687 4.819 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3OC)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968562 552241453 /nfs/dbraw/zinc/24/14/53/552241453.db2.gz IXAMKZUWVUZKBW-AZGAKELHSA-N 0 3 569.687 4.819 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3OC)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968565 552241495 /nfs/dbraw/zinc/24/14/95/552241495.db2.gz IXAMKZUWVUZKBW-RSXGOPAZSA-N 0 3 569.687 4.819 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3OC)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968566 552241364 /nfs/dbraw/zinc/24/13/64/552241364.db2.gz IXAMKZUWVUZKBW-AOYPEHQESA-N 0 3 569.687 4.819 50 0 KJAAHN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)cc1 ZINC000002968626 552241668 /nfs/dbraw/zinc/24/16/68/552241668.db2.gz GNSNAQZETDQLDU-DEOSSOPVSA-N 0 3 583.670 4.576 50 0 KJAAHN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)cc1 ZINC000002968627 552241736 /nfs/dbraw/zinc/24/17/36/552241736.db2.gz GNSNAQZETDQLDU-XMMPIXPASA-N 0 3 583.670 4.576 50 0 KJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCc1ccc2c(c1)OCO2 ZINC000002968637 552241665 /nfs/dbraw/zinc/24/16/65/552241665.db2.gz IMCKTFZWMAEKTE-NRFANRHFSA-N 0 3 533.009 4.667 50 0 KJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCc1ccc2c(c1)OCO2 ZINC000002968640 552241651 /nfs/dbraw/zinc/24/16/51/552241651.db2.gz IMCKTFZWMAEKTE-OAQYLSRUSA-N 0 3 533.009 4.667 50 0 KJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)NCc1ccc2c(c1)OCO2 ZINC000002968642 552241749 /nfs/dbraw/zinc/24/17/49/552241749.db2.gz WMMDACFHQLROGF-NRFANRHFSA-N 0 3 533.009 4.667 50 0 KJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)NCc1ccc2c(c1)OCO2 ZINC000002968643 552241677 /nfs/dbraw/zinc/24/16/77/552241677.db2.gz WMMDACFHQLROGF-OAQYLSRUSA-N 0 3 533.009 4.667 50 0 KJAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)cc1 ZINC000002968645 552241711 /nfs/dbraw/zinc/24/17/11/552241711.db2.gz KVDJMZBDGVIXIL-RPLLCQBOSA-N 0 3 597.697 4.793 50 0 KJAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)cc1 ZINC000002968647 552241718 /nfs/dbraw/zinc/24/17/18/552241718.db2.gz KVDJMZBDGVIXIL-IGKIAQTJSA-N 0 3 597.697 4.793 50 0 KJAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)cc1 ZINC000002968650 552241658 /nfs/dbraw/zinc/24/16/58/552241658.db2.gz KVDJMZBDGVIXIL-SHQCIBLASA-N 0 3 597.697 4.793 50 0 KJAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)cc1 ZINC000002968652 552241724 /nfs/dbraw/zinc/24/17/24/552241724.db2.gz KVDJMZBDGVIXIL-SQHAQQRYSA-N 0 3 597.697 4.793 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968654 552241754 /nfs/dbraw/zinc/24/17/54/552241754.db2.gz KGHXMINWWNGWFW-OZXSUGGESA-N 0 3 583.670 4.539 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968656 552241682 /nfs/dbraw/zinc/24/16/82/552241682.db2.gz KGHXMINWWNGWFW-JYFHCDHNSA-N 0 3 583.670 4.539 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968659 552241690 /nfs/dbraw/zinc/24/16/90/552241690.db2.gz KGHXMINWWNGWFW-BVAGGSTKSA-N 0 3 583.670 4.539 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968661 552241695 /nfs/dbraw/zinc/24/16/95/552241695.db2.gz KGHXMINWWNGWFW-ZEQKJWHPSA-N 0 3 583.670 4.539 50 0 KJAAHN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCCc4ccccc4)C(=O)N32)cc1 ZINC000002968737 552242143 /nfs/dbraw/zinc/24/21/43/552242143.db2.gz QANMJYVRABREAQ-SANMLTNESA-N 0 3 553.688 4.889 50 0 KJAAHN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCCc4ccccc4)C(=O)N32)cc1 ZINC000002968739 552242130 /nfs/dbraw/zinc/24/21/30/552242130.db2.gz QANMJYVRABREAQ-AREMUKBSSA-N 0 3 553.688 4.889 50 0 KJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCCc1ccccc1 ZINC000002968748 552242029 /nfs/dbraw/zinc/24/20/29/552242029.db2.gz VFGRWEMKKVATEO-QHCPKHFHSA-N 0 3 503.027 4.981 50 0 KJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCCc1ccccc1 ZINC000002968749 552242040 /nfs/dbraw/zinc/24/20/40/552242040.db2.gz VFGRWEMKKVATEO-HSZRJFAPSA-N 0 3 503.027 4.981 50 0 KJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCCc1ccccc1 ZINC000002968752 552242083 /nfs/dbraw/zinc/24/20/83/552242083.db2.gz VALGFLRZRLBIMD-QHCPKHFHSA-N 0 3 503.027 4.981 50 0 KJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCCc1ccccc1 ZINC000002968753 552242118 /nfs/dbraw/zinc/24/21/18/552242118.db2.gz VALGFLRZRLBIMD-HSZRJFAPSA-N 0 3 503.027 4.981 50 0 KJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)NCCc1ccccc1 ZINC000002968756 552242076 /nfs/dbraw/zinc/24/20/76/552242076.db2.gz RSPQCACXHLGZOI-QHCPKHFHSA-N 0 3 503.027 4.981 50 0 KJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)NCCc1ccccc1 ZINC000002968758 552242048 /nfs/dbraw/zinc/24/20/48/552242048.db2.gz RSPQCACXHLGZOI-HSZRJFAPSA-N 0 3 503.027 4.981 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968768 552242221 /nfs/dbraw/zinc/24/22/21/552242221.db2.gz HNKMKIFKBBDOEG-UIOOFZCWSA-N 0 3 553.688 4.853 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968769 552242200 /nfs/dbraw/zinc/24/22/00/552242200.db2.gz HNKMKIFKBBDOEG-IZZNHLLZSA-N 0 3 553.688 4.853 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968771 552242232 /nfs/dbraw/zinc/24/22/32/552242232.db2.gz HNKMKIFKBBDOEG-FTJBHMTQSA-N 0 3 553.688 4.853 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002968773 552242207 /nfs/dbraw/zinc/24/22/07/552242207.db2.gz HNKMKIFKBBDOEG-CLJLJLNGSA-N 0 3 553.688 4.853 50 0 KJAAHN CC[C@H](Sc1nc2ccccc2c2nc(CCN3CCCCC3)nn21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000002968883 552242241 /nfs/dbraw/zinc/24/22/41/552242241.db2.gz XNVUFNRGHFJLRN-QHCPKHFHSA-N 0 3 518.643 4.544 50 0 KJAAHN CC[C@@H](Sc1nc2ccccc2c2nc(CCN3CCCCC3)nn21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000002968886 552242227 /nfs/dbraw/zinc/24/22/27/552242227.db2.gz XNVUFNRGHFJLRN-HSZRJFAPSA-N 0 3 518.643 4.544 50 0 KJAAHN CCOC(=O)c1cc(CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)c2c(c1)COCO2 ZINC000002973562 552245146 /nfs/dbraw/zinc/24/51/46/552245146.db2.gz QZLHCPHNSNUWSG-UHFFFAOYSA-N 0 3 523.655 4.608 50 0 KJAAHN COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCN3CCCCCC3)C2=O)cc1Br ZINC000003057859 552281434 /nfs/dbraw/zinc/28/14/34/552281434.db2.gz SVILQSYFHYTYHM-JJIBRWJFSA-N 0 3 544.515 4.930 50 0 KJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000003061886 552282665 /nfs/dbraw/zinc/28/26/65/552282665.db2.gz WLYIOYWWQLVGCL-UHFFFAOYSA-N 0 3 507.439 4.955 50 0 KJAAHN CN(CCCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000003670325 552410944 /nfs/dbraw/zinc/41/09/44/552410944.db2.gz LZVNYHPTIXIZHQ-SANMLTNESA-N 0 3 513.425 4.829 50 0 KJAAHN CN(CCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000003670327 552410856 /nfs/dbraw/zinc/41/08/56/552410856.db2.gz LZVNYHPTIXIZHQ-AREMUKBSSA-N 0 3 513.425 4.829 50 0 KJAAHN Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000003833846 552419611 /nfs/dbraw/zinc/41/96/11/552419611.db2.gz QAGYKUNXZHXKMR-HKWSIXNMSA-N 0 3 567.796 4.748 50 0 fda KJAAHN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)cc1 ZINC000004177833 552445890 /nfs/dbraw/zinc/44/58/90/552445890.db2.gz XYYOGGVAOCQQSQ-UHFFFAOYSA-N 0 3 548.775 4.561 50 0 KJAAHN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)cc1 ZINC000004177851 552445888 /nfs/dbraw/zinc/44/58/88/552445888.db2.gz FPKBHOBBBMOBSO-UHFFFAOYSA-N 0 3 548.775 4.850 50 0 KJAAHN CCN1CCN(c2cc(C)c3cc(NC(=S)NCCCN4CCN(c5cccc(Cl)c5)CC4)ccc3n2)CC1 ZINC000004791305 552484621 /nfs/dbraw/zinc/48/46/21/552484621.db2.gz ATUAAEDNCJUQDN-UHFFFAOYSA-N 0 3 566.219 4.837 50 0 KJAAHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000008431520 553023424 /nfs/dbraw/zinc/02/34/24/553023424.db2.gz MLASZEUJFPJEAY-VGSCBBJJSA-N 0 3 506.687 4.986 50 0 biogenic KJAAHN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000008431522 553023457 /nfs/dbraw/zinc/02/34/57/553023457.db2.gz MLASZEUJFPJEAY-CBFLWWMCSA-N 0 3 506.687 4.986 50 0 KJAAHN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000008431523 553023419 /nfs/dbraw/zinc/02/34/19/553023419.db2.gz MLASZEUJFPJEAY-DAHKTCFSSA-N 0 3 506.687 4.986 50 0 KJAAHN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000008431524 553023435 /nfs/dbraw/zinc/02/34/35/553023435.db2.gz MLASZEUJFPJEAY-HAUPEQAHSA-N 0 3 506.687 4.986 50 0 KJAAHN O=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1cccc(Cn2cc(Br)cn2)c1 ZINC000008431830 553024225 /nfs/dbraw/zinc/02/42/25/553024225.db2.gz OCRZPWKCVHSAKI-UHFFFAOYSA-N 0 3 507.436 4.782 50 0 KJAAHN COc1ccc(N(C(=O)COc2ccccc2)[C@@H]2C(Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000008439670 553035972 /nfs/dbraw/zinc/03/59/72/553035972.db2.gz AFVCASQPZNYTFH-KYJUHHDHSA-N 0 3 524.573 4.936 50 0 KJAAHN COc1ccc(N(C(=O)COc2ccccc2)[C@H]2C(Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000008439672 553036012 /nfs/dbraw/zinc/03/60/12/553036012.db2.gz AFVCASQPZNYTFH-XZWHSSHBSA-N 0 3 524.573 4.936 50 0 KJAAHN COc1ccc(N(C(=O)COc2ccccc2)[C@@H]2C(Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000008439674 553035902 /nfs/dbraw/zinc/03/59/02/553035902.db2.gz AFVCASQPZNYTFH-IHLOFXLRSA-N 0 3 524.573 4.936 50 0 KJAAHN COc1ccc(N(C(=O)COc2ccccc2)[C@H]2C(Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000008439675 553035960 /nfs/dbraw/zinc/03/59/60/553035960.db2.gz AFVCASQPZNYTFH-LOYHVIPDSA-N 0 3 524.573 4.936 50 0 KJAAHN O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCN2CCC[C@@H]2C1 ZINC000008444781 553051648 /nfs/dbraw/zinc/05/16/48/553051648.db2.gz UTDNFSHITUPIRW-OWCLPIDISA-N 0 3 532.792 4.880 50 0 KJAAHN O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CCN2CCC[C@@H]2C1 ZINC000008444783 553051687 /nfs/dbraw/zinc/05/16/87/553051687.db2.gz UTDNFSHITUPIRW-PMPSAXMXSA-N 0 3 532.792 4.880 50 0 KJAAHN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(C5C6CC7CC(C6)CC5C7)CC4)c3n2)cc1 ZINC000008454550 553069239 /nfs/dbraw/zinc/06/92/39/553069239.db2.gz NBFXLNKWDSGANU-UHFFFAOYSA-N 0 3 521.612 4.925 50 0 KJAAHN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)sc2c1CC(C)(C)NC2(C)C ZINC000008583100 553078563 /nfs/dbraw/zinc/07/85/63/553078563.db2.gz YVWSNXWMSRBEAU-KRWDZBQOSA-N 0 3 547.743 4.757 50 0 KJAAHN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2c1CC(C)(C)NC2(C)C ZINC000008583101 553078632 /nfs/dbraw/zinc/07/86/32/553078632.db2.gz YVWSNXWMSRBEAU-QGZVFWFLSA-N 0 3 547.743 4.757 50 0 KJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)cc1 ZINC000008593337 553085347 /nfs/dbraw/zinc/08/53/47/553085347.db2.gz ZUINZQWBHREJKX-UHFFFAOYSA-N 0 3 576.672 4.793 50 0 KJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccccc3)c2=O)cc1 ZINC000008593356 553085599 /nfs/dbraw/zinc/08/55/99/553085599.db2.gz KIXNPYDZUSPTKM-UHFFFAOYSA-N 0 3 558.682 4.654 50 0 KJAAHN Cc1ccc(Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)c2=O)cc1 ZINC000008593359 553085503 /nfs/dbraw/zinc/08/55/03/553085503.db2.gz HGNJXZWYJQKIKR-UHFFFAOYSA-N 0 3 572.709 4.963 50 0 KJAAHN Cc1cccc(Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)c2=O)c1 ZINC000008593365 553085534 /nfs/dbraw/zinc/08/55/34/553085534.db2.gz SXARTAIVYZOEJW-UHFFFAOYSA-N 0 3 572.709 4.963 50 0 KJAAHN O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N21)Nc1cccc(C(F)(F)F)c1 ZINC000008594903 553088179 /nfs/dbraw/zinc/08/81/79/553088179.db2.gz MIEPKYRXKPWSQZ-HXUWFJFHSA-N 0 3 571.606 4.804 50 0 KJAAHN O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3cccs3)C(=O)N21)Nc1cccc(C(F)(F)F)c1 ZINC000008594906 553088244 /nfs/dbraw/zinc/08/82/44/553088244.db2.gz MIEPKYRXKPWSQZ-FQEVSTJZSA-N 0 3 571.606 4.804 50 0 KJAAHN Cc1cc(C)c(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N32)c(C)c1 ZINC000008594930 553088165 /nfs/dbraw/zinc/08/81/65/553088165.db2.gz JDWXCLZCWUBRSF-JOCHJYFZSA-N 0 3 545.690 4.710 50 0 KJAAHN Cc1cc(C)c(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N32)c(C)c1 ZINC000008594932 553088169 /nfs/dbraw/zinc/08/81/69/553088169.db2.gz JDWXCLZCWUBRSF-QFIPXVFZSA-N 0 3 545.690 4.710 50 0 KJAAHN COc1ccc(Cl)cc1NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21 ZINC000008594949 553088234 /nfs/dbraw/zinc/08/82/34/553088234.db2.gz JZFTZGAVIBCASA-OAQYLSRUSA-N 0 3 554.072 4.518 50 0 KJAAHN COc1ccc(Cl)cc1NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21 ZINC000008594951 553088184 /nfs/dbraw/zinc/08/81/84/553088184.db2.gz JZFTZGAVIBCASA-NRFANRHFSA-N 0 3 554.072 4.518 50 0 KJAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000008595873 553089453 /nfs/dbraw/zinc/08/94/53/553089453.db2.gz HTJDMNPQQKJLRS-UHFFFAOYSA-N 0 3 551.647 4.937 50 0 KJAAHN CCCCN(CCCC)CCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000008596803 553091187 /nfs/dbraw/zinc/09/11/87/553091187.db2.gz YZMBCNQLJUPYCO-UHFFFAOYSA-N 0 3 546.778 4.607 50 0 KJAAHN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCCCN2CCN(c3ccccc3F)CC2)CC1 ZINC000008597683 553093806 /nfs/dbraw/zinc/09/38/06/553093806.db2.gz RCYJPGALURMVCZ-UHFFFAOYSA-N 0 3 554.110 4.983 50 0 KJAAHN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000008597726 553093818 /nfs/dbraw/zinc/09/38/18/553093818.db2.gz KBUOPNFNTRQMHR-UHFFFAOYSA-N 0 3 554.110 4.983 50 0 KJAAHN CCOc1cc(CNCCCN2CCOCC2)cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008682846 553112521 /nfs/dbraw/zinc/11/25/21/553112521.db2.gz RNQFIRFPRISHQG-UHFFFAOYSA-N 0 3 574.438 4.696 50 0 KJAAHN CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CCN(c2cccc(C)c2C)CC1 ZINC000008741322 553132767 /nfs/dbraw/zinc/13/27/67/553132767.db2.gz WFBDYFRSXNAVRL-UHFFFAOYSA-N 0 3 527.463 4.875 50 0 KJAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@H](c4cccs4)[C@H]3C1=O)CCCC2 ZINC000008741691 553133077 /nfs/dbraw/zinc/13/30/77/553133077.db2.gz WSKABRHZVHHUGL-YPAWHYETSA-N 0 3 508.621 4.835 50 0 KJAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@H](c4ccccc4)[C@H]3C1=O)CCCC2 ZINC000008741712 553132988 /nfs/dbraw/zinc/13/29/88/553132988.db2.gz SZKOLGDUOUMZTP-WXFUMESZSA-N 0 3 502.592 4.773 50 0 KJAAHN COc1cc2c(c3oc(=O)c(CC(=O)NC4CCN(Cc5ccccc5)CC4)c(C)c13)CCC(C)(C)O2 ZINC000008765415 553138118 /nfs/dbraw/zinc/13/81/18/553138118.db2.gz YGYZPDUFBPMTEK-UHFFFAOYSA-N 0 3 504.627 4.537 50 0 biogenic KJAAHN Cc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)NCCN(Cc3ccccc3)C(C)C)CC2)c(C)c1 ZINC000008813398 553150896 /nfs/dbraw/zinc/15/08/96/553150896.db2.gz QLNZLBRFZWOYBZ-UHFFFAOYSA-N 0 3 513.748 4.723 50 0 KJAAHN COc1ccc(Cn2c(SCc3ccc(C(=O)NCCN4CCCC4)cc3)nc3cccnc32)cc1 ZINC000008913758 553185591 /nfs/dbraw/zinc/18/55/91/553185591.db2.gz REYANOGJBRQWRF-UHFFFAOYSA-N 0 3 501.656 4.606 50 0 KJAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000009111195 553210262 /nfs/dbraw/zinc/21/02/62/553210262.db2.gz WDKOIKGDAKLJBU-LCUIVBHPSA-N 0 3 508.574 4.656 50 0 KJAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000009111196 553210266 /nfs/dbraw/zinc/21/02/66/553210266.db2.gz WDKOIKGDAKLJBU-KFZSMJGVSA-N 0 3 508.574 4.656 50 0 KJAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000009111197 553210285 /nfs/dbraw/zinc/21/02/85/553210285.db2.gz WDKOIKGDAKLJBU-WCUAIIBCSA-N 0 3 508.574 4.656 50 0 KJAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000009111198 553210358 /nfs/dbraw/zinc/21/03/58/553210358.db2.gz WDKOIKGDAKLJBU-WKUVLXMOSA-N 0 3 508.574 4.656 50 0 KJAAHN Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)COc5ccc(Cl)cc5)ccc4n3C)CC2)cc1 ZINC000009124538 553212899 /nfs/dbraw/zinc/21/28/99/553212899.db2.gz AJGVJZJETNEJRQ-UHFFFAOYSA-N 0 3 518.061 4.917 50 0 KJAAHN COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)NCCN2CCCC2)c1 ZINC000009225224 553221882 /nfs/dbraw/zinc/22/18/82/553221882.db2.gz BAQNKGHZHFNVCU-PMERELPUSA-N 0 3 508.622 4.601 50 0 KJAAHN COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CC(=O)NCCN2CCCC2)c1 ZINC000009225227 553221893 /nfs/dbraw/zinc/22/18/93/553221893.db2.gz BAQNKGHZHFNVCU-SSEXGKCCSA-N 0 3 508.622 4.601 50 0 KJAAHN CCN1CCC[C@@H]1CNC(=O)c1cnn(-c2ccccc2Cl)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227758 553222441 /nfs/dbraw/zinc/22/24/41/553222441.db2.gz XMDRAXONTYBNFF-HXUWFJFHSA-N 0 3 516.086 4.854 50 0 KJAAHN CCN1CCC[C@H]1CNC(=O)c1cnn(-c2ccccc2Cl)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227761 553222429 /nfs/dbraw/zinc/22/24/29/553222429.db2.gz XMDRAXONTYBNFF-FQEVSTJZSA-N 0 3 516.086 4.854 50 0 KJAAHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCN3CCCCC3)cnn2-c2ccccc2Cl)CC1 ZINC000009227782 553222348 /nfs/dbraw/zinc/22/23/48/553222348.db2.gz JNIDOHIUCHZNGQ-UHFFFAOYSA-N 0 3 516.086 4.856 50 0 KJAAHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCN3CCCCC3)cnn2-c2ccc(Cl)cc2)CC1 ZINC000009227821 553222435 /nfs/dbraw/zinc/22/24/35/553222435.db2.gz UERNPGFFGXNFRL-UHFFFAOYSA-N 0 3 516.086 4.856 50 0 KJAAHN CCN1CCC[C@@H]1CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227823 553222455 /nfs/dbraw/zinc/22/24/55/553222455.db2.gz SCNHBKCFGVXOGO-JOCHJYFZSA-N 0 3 516.086 4.854 50 0 KJAAHN CCN1CCC[C@H]1CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227824 553222394 /nfs/dbraw/zinc/22/23/94/553222394.db2.gz SCNHBKCFGVXOGO-QFIPXVFZSA-N 0 3 516.086 4.854 50 0 KJAAHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCN3CCCCC3)cnn2-c2cccc(Cl)c2)CC1 ZINC000009227832 553222437 /nfs/dbraw/zinc/22/24/37/553222437.db2.gz CRUPBGCMCHPETR-UHFFFAOYSA-N 0 3 516.086 4.856 50 0 KJAAHN Cc1ccc(-n2ncc(C(=O)NCCN3CCCCCC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000009227848 553222367 /nfs/dbraw/zinc/22/23/67/553222367.db2.gz UKIDWPXHGVRQTF-UHFFFAOYSA-N 0 3 509.695 4.901 50 0 KJAAHN CCN1CCC[C@@H]1CNC(=O)c1cnn(-c2ccc(C)c(C)c2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227895 553222591 /nfs/dbraw/zinc/22/25/91/553222591.db2.gz UCKYWEZSUVOBFH-XMMPIXPASA-N 0 3 509.695 4.818 50 0 KJAAHN CCN1CCC[C@H]1CNC(=O)c1cnn(-c2ccc(C)c(C)c2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227896 553222551 /nfs/dbraw/zinc/22/25/51/553222551.db2.gz UCKYWEZSUVOBFH-DEOSSOPVSA-N 0 3 509.695 4.818 50 0 KJAAHN Brc1cccc(CNCc2cccn2-c2nnc(N3CCN(c4ccccc4)CC3)s2)c1 ZINC000009228479 553223261 /nfs/dbraw/zinc/22/32/61/553223261.db2.gz GCEIJMMSCAXNAA-UHFFFAOYSA-N 0 3 509.477 4.708 50 0 KJAAHN O=C(c1ccccn1)C1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000009235706 553225432 /nfs/dbraw/zinc/22/54/32/553225432.db2.gz PGKSFOBXHNEJOC-NHICWYPXSA-N 0 3 503.583 4.999 50 0 KJAAHN Brc1cccc(CNCc2cccn2-c2nnc(N3CCN(C4CCCCC4)CC3)s2)c1 ZINC000009265768 553229880 /nfs/dbraw/zinc/22/98/80/553229880.db2.gz GJVRMHXFJNTLST-UHFFFAOYSA-N 0 3 515.525 4.836 50 0 KJAAHN CCOC(=O)CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(C1CCN(Cc2ccccc2)CC1)C3 ZINC000009305859 553236823 /nfs/dbraw/zinc/23/68/23/553236823.db2.gz LMLJQJZSIDVVCX-UHFFFAOYSA-N 0 3 504.627 4.722 50 0 KJAAHN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=S)[N-]C(=O)C[NH2+]C1CCCCCC1 ZINC000009346028 553244297 /nfs/dbraw/zinc/24/42/97/553244297.db2.gz PQDFHPPGOMMRAB-UHFFFAOYSA-N 0 3 519.689 4.734 50 0 KJAAHN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC(C)(C)NC3(C)C)cc1 ZINC000009391494 553254082 /nfs/dbraw/zinc/25/40/82/553254082.db2.gz NAKFMUIDZWTFDZ-UHFFFAOYSA-N 0 3 535.732 4.757 50 0 KJAAHN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC(C)(C)NC3(C)C)cc1 ZINC000009391496 553254371 /nfs/dbraw/zinc/25/43/71/553254371.db2.gz BSVOIYXBXDTIOY-UHFFFAOYSA-N 0 3 535.732 4.757 50 0 KJAAHN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCC[C@H]3C)cc1)C(C)(C)NC(C)(C)C2 ZINC000009391500 553254404 /nfs/dbraw/zinc/25/44/04/553254404.db2.gz VDOVVHHTMOTTRX-MRXNPFEDSA-N 0 3 533.716 4.510 50 0 KJAAHN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc1)C(C)(C)NC(C)(C)C2 ZINC000009391501 553254374 /nfs/dbraw/zinc/25/43/74/553254374.db2.gz VDOVVHHTMOTTRX-INIZCTEOSA-N 0 3 533.716 4.510 50 0 KJAAHN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C(C)(C)NC(C)(C)C2 ZINC000009391507 553254381 /nfs/dbraw/zinc/25/43/81/553254381.db2.gz LWFMGSOISNZODR-UHFFFAOYSA-N 0 3 533.716 4.511 50 0 KJAAHN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)NC3(C)C)cc1 ZINC000009391509 553254367 /nfs/dbraw/zinc/25/43/67/553254367.db2.gz BVOUWQKNIMBPSU-UHFFFAOYSA-N 0 3 535.732 4.757 50 0 KJAAHN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CC(C)(C)NC2(C)C ZINC000009391511 553254365 /nfs/dbraw/zinc/25/43/65/553254365.db2.gz YLKYJDDKAZQSPR-UHFFFAOYSA-N 0 3 533.716 4.511 50 0 KJAAHN Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@@H]3c3cccs3)C[C@@H]2C)c1 ZINC000009407052 553256223 /nfs/dbraw/zinc/25/62/23/553256223.db2.gz AEJGEXGPOFVQGY-XDAJTCOGSA-N 0 3 516.711 4.684 50 0 KJAAHN COc1ccc(-n2cc(C(=O)NCCCN3CCN(c4cccc(C)c4)[C@@H](C)C3)c3ccccc3c2=O)cc1 ZINC000009407240 553256921 /nfs/dbraw/zinc/25/69/21/553256921.db2.gz XOOQGUSBSCKXBM-DEOSSOPVSA-N 0 3 524.665 4.638 50 0 KJAAHN COc1cccc(-n2cc(C(=O)NCCCN3CCN(c4cccc(C)c4)[C@@H](C)C3)c3ccccc3c2=O)c1 ZINC000009407260 553256943 /nfs/dbraw/zinc/25/69/43/553256943.db2.gz SNWNFXZFEQFTQF-DEOSSOPVSA-N 0 3 524.665 4.638 50 0 KJAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1 ZINC000009432417 553262657 /nfs/dbraw/zinc/26/26/57/553262657.db2.gz MZLZWLUOUXYYCX-JWQCQUIFSA-N 0 3 505.640 4.796 50 0 KJAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1 ZINC000009432418 553262687 /nfs/dbraw/zinc/26/26/87/553262687.db2.gz MZLZWLUOUXYYCX-LOSJGSFVSA-N 0 3 505.640 4.796 50 0 KJAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)cc1 ZINC000009432419 553262682 /nfs/dbraw/zinc/26/26/82/553262682.db2.gz MZLZWLUOUXYYCX-RPBOFIJWSA-N 0 3 505.640 4.796 50 0 KJAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)cc1 ZINC000009432420 553262695 /nfs/dbraw/zinc/26/26/95/553262695.db2.gz MZLZWLUOUXYYCX-DQEYMECFSA-N 0 3 505.640 4.796 50 0 KJAAHN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCN(Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009432877 553262959 /nfs/dbraw/zinc/26/29/59/553262959.db2.gz IWUICKOJODGZGX-KAYWLYCHSA-N 0 3 521.683 4.829 50 0 KJAAHN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCN(Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009432878 553262914 /nfs/dbraw/zinc/26/29/14/553262914.db2.gz IWUICKOJODGZGX-SXOMAYOGSA-N 0 3 521.683 4.829 50 0 KJAAHN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCN(Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009432879 553262933 /nfs/dbraw/zinc/26/29/33/553262933.db2.gz IWUICKOJODGZGX-RRPNLBNLSA-N 0 3 521.683 4.829 50 0 KJAAHN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCN(Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009432880 553262979 /nfs/dbraw/zinc/26/29/79/553262979.db2.gz IWUICKOJODGZGX-SVBPBHIXSA-N 0 3 521.683 4.829 50 0 KJAAHN CCN1CCN(c2ccc(NC(=O)CCc3c(C)nc4cc(-c5cccc(F)c5)nn4c3C)cc2)CC1 ZINC000009609690 553287863 /nfs/dbraw/zinc/28/78/63/553287863.db2.gz PMRIODAAWIBOBU-UHFFFAOYSA-N 0 3 500.622 4.865 50 0 KJAAHN CCN1CCN(c2ccc(NC(=O)CCc3c(C)nc4cc(-c5ccccc5OC)nn4c3C)cc2)CC1 ZINC000009609830 553288141 /nfs/dbraw/zinc/28/81/41/553288141.db2.gz CBYSCOJKPHPMPZ-UHFFFAOYSA-N 0 3 512.658 4.735 50 0 KJAAHN COc1ccc(-c2cc3nc(C)c(CCC(=O)NC4CCN(Cc5ccccc5)CC4)c(C)n3n2)c(OC)c1 ZINC000009610075 553288147 /nfs/dbraw/zinc/28/81/47/553288147.db2.gz QGSRWSUELYXTQK-UHFFFAOYSA-N 0 3 527.669 4.744 50 0 KJAAHN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]32)cc1 ZINC000009663440 553293256 /nfs/dbraw/zinc/29/32/56/553293256.db2.gz QSULRBWXLINHHW-SGNDLWITSA-N 0 3 518.411 4.580 50 0 KJAAHN O=C(CSc1nc2c3ccccc3sc2c(=O)n1CCCN1CCCC1)NCCc1ccccc1 ZINC000009665109 553293541 /nfs/dbraw/zinc/29/35/41/553293541.db2.gz XTYKTZLWMLIAOP-UHFFFAOYSA-N 0 3 506.697 4.548 50 0 KJAAHN Cc1ccc(CNC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCCN2CCCC2)cc1 ZINC000009665121 553293488 /nfs/dbraw/zinc/29/34/88/553293488.db2.gz CJSRHKKCGJFMKE-UHFFFAOYSA-N 0 3 506.697 4.814 50 0 KJAAHN COc1cccc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCCN2CCCC2)c1 ZINC000009665128 553293491 /nfs/dbraw/zinc/29/34/91/553293491.db2.gz PIQIJNQJNIWWAK-UHFFFAOYSA-N 0 3 508.669 4.837 50 0 KJAAHN COc1ccc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCCN2CCCC2)cc1 ZINC000009665135 553293481 /nfs/dbraw/zinc/29/34/81/553293481.db2.gz GRURKXLYBKDZTH-UHFFFAOYSA-N 0 3 508.669 4.837 50 0 KJAAHN COc1ccccc1[C@@H]1NN(C(=O)c2ccc(C)cc2)C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000009673405 553294022 /nfs/dbraw/zinc/29/40/22/553294022.db2.gz VBJAPNRUVRFFGG-VABKMULXSA-N 0 3 510.377 4.570 50 0 KJAAHN CCOc1ccc(CN2c3cc(C(=O)[N-]C(=O)C4CC[NH2+]CC4)ccc3Sc3ccccc3C2=O)cc1 ZINC000009678486 553295667 /nfs/dbraw/zinc/29/56/67/553295667.db2.gz SERDJPHCPSSSIG-UHFFFAOYSA-N 0 3 515.635 4.653 50 0 KJAAHN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCCCN3CCc4ccccc4C3)cc12 ZINC000009776890 553306255 /nfs/dbraw/zinc/30/62/55/553306255.db2.gz GSGIRWFBSCQFRC-UHFFFAOYSA-N 0 3 513.686 4.817 50 0 KJAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)cc1 ZINC000009776966 553306444 /nfs/dbraw/zinc/30/64/44/553306444.db2.gz ZIRHKHIZZFWYBB-VSGBNLITSA-N 0 3 511.622 4.661 50 0 KJAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)cc1 ZINC000009776968 553306482 /nfs/dbraw/zinc/30/64/82/553306482.db2.gz ZIRHKHIZZFWYBB-WUFINQPMSA-N 0 3 511.622 4.661 50 0 KJAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)cc1 ZINC000009776969 553306465 /nfs/dbraw/zinc/30/64/65/553306465.db2.gz ZIRHKHIZZFWYBB-IZLXSDGUSA-N 0 3 511.622 4.661 50 0 KJAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)cc1 ZINC000009776970 553306486 /nfs/dbraw/zinc/30/64/86/553306486.db2.gz ZIRHKHIZZFWYBB-NSOVKSMOSA-N 0 3 511.622 4.661 50 0 KJAAHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009836053 553310499 /nfs/dbraw/zinc/31/04/99/553310499.db2.gz IYMILNLWPOOXJA-SUHSUELASA-N 0 3 515.629 4.916 50 0 KJAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)N2CCCCC2)CC1 ZINC000011785347 553342629 /nfs/dbraw/zinc/34/26/29/553342629.db2.gz YCXYHKUIPGPNJK-WUFINQPMSA-N 0 3 504.719 4.501 50 0 KJAAHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000011847313 553343733 /nfs/dbraw/zinc/34/37/33/553343733.db2.gz MLASZEUJFPJEAY-VZZNCHCQSA-N 0 3 506.687 4.986 50 0 biogenic KJAAHN COc1ccc(OC[C@@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c(C(C)(C)C)c1 ZINC000011847507 553343795 /nfs/dbraw/zinc/34/37/95/553343795.db2.gz CXWOTFGJCKJHPO-QHCPKHFHSA-N 0 3 530.665 4.894 50 0 KJAAHN COc1ccc(OC[C@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c(C(C)(C)C)c1 ZINC000011847508 553343779 /nfs/dbraw/zinc/34/37/79/553343779.db2.gz CXWOTFGJCKJHPO-HSZRJFAPSA-N 0 3 530.665 4.894 50 0 KJAAHN Cn1cnnc1C1CCN(Cc2cc(-c3ccccc3)ccc2OCC(=O)Nc2ccc3c(c2)COC3)CC1 ZINC000011868722 1066492322 /nfs/dbraw/zinc/49/23/22/1066492322.db2.gz HAZOQXQDYRICNP-UHFFFAOYSA-N 0 3 523.637 4.909 50 0 KJAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000011910477 553348668 /nfs/dbraw/zinc/34/86/68/553348668.db2.gz PNZYCSVBZUKQLO-UHFFFAOYSA-N 0 3 500.668 4.765 50 0 KJAAHN COCCCN(C(=O)c1ccc(-c2cccc(Cl)c2)nc1N1C[C@@H](C)O[C@@H](C)C1)C1CCN(C)CC1 ZINC000011910933 553348729 /nfs/dbraw/zinc/34/87/29/553348729.db2.gz FSZNHDIJAFACPU-OYRHEFFESA-N 0 3 515.098 4.589 50 0 KJAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@@H](c4cccs4)[C@H]3C1=O)CCCC2 ZINC000012017539 553350224 /nfs/dbraw/zinc/35/02/24/553350224.db2.gz WSKABRHZVHHUGL-BHIFYINESA-N 0 3 508.621 4.835 50 0 KJAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@@H](c4ccccc4)[C@H]3C1=O)CCCC2 ZINC000012017562 553350166 /nfs/dbraw/zinc/35/01/66/553350166.db2.gz SZKOLGDUOUMZTP-TZRRMPRUSA-N 0 3 502.592 4.773 50 0 KJAAHN COC(=O)CC[C@H]1CN(Cc2ccccc2F)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012040050 553350490 /nfs/dbraw/zinc/35/04/90/553350490.db2.gz BJTZXDKSXWHIBX-SQJMNOBHSA-N 0 3 507.572 4.810 50 0 KJAAHN CCc1c(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(=O)cc(C)n1Cc1ccc(OC)cc1 ZINC000012052180 553350720 /nfs/dbraw/zinc/35/07/20/553350720.db2.gz HKWFEIUCNBDGFL-UHFFFAOYSA-N 0 3 503.687 4.503 50 0 KJAAHN CC(=O)c1ccc(N2CCN(c3nc(-c4cc(C)cs4)ccc3C(=O)N(C)C3CCN(C)CC3)CC2)cc1 ZINC000012099232 553351221 /nfs/dbraw/zinc/35/12/21/553351221.db2.gz INEHYWYFJYSJSA-UHFFFAOYSA-N 0 3 531.726 4.814 50 0 KJAAHN Cc1nonc1CN(C)Cc1cc(-c2ccc(F)cc2)ccc1OCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000012162349 553353234 /nfs/dbraw/zinc/35/32/34/553353234.db2.gz BJROUJUDCHJFIL-UHFFFAOYSA-N 0 3 535.664 4.672 50 0 KJAAHN Cc1cc(C)n(CC(=O)N2CCOc3c(cc(-c4cccc(Cl)c4)cc3OC[C@@H]3CCCN(C)C3)C2)n1 ZINC000012190148 553353602 /nfs/dbraw/zinc/35/36/02/553353602.db2.gz IWEVFBLXRCTLQN-JOCHJYFZSA-N 0 3 523.077 4.962 50 0 KJAAHN Cc1cc(C)n(CC(=O)N2CCOc3c(cc(-c4cccc(Cl)c4)cc3OC[C@H]3CCCN(C)C3)C2)n1 ZINC000012190149 553353534 /nfs/dbraw/zinc/35/35/34/553353534.db2.gz IWEVFBLXRCTLQN-QFIPXVFZSA-N 0 3 523.077 4.962 50 0 KJAAHN CN(C)C(=O)CCC(=O)N1CCCC[C@H]1CCOc1cccc(CN(C)Cc2cccc3cccnc32)c1 ZINC000012194331 553353914 /nfs/dbraw/zinc/35/39/14/553353914.db2.gz JSKOMZUBQUNLBV-MHZLTWQESA-N 0 3 516.686 4.885 50 0 KJAAHN CN(C)C(=O)CCC(=O)N1CCCC[C@@H]1CCOc1cccc(CN(C)Cc2cccc3cccnc32)c1 ZINC000012194335 553354088 /nfs/dbraw/zinc/35/40/88/553354088.db2.gz JSKOMZUBQUNLBV-HHHXNRCGSA-N 0 3 516.686 4.885 50 0 KJAAHN CC1(C)C[C@@H](C(=O)N2CCN(CCOc3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)CC2)CCO1 ZINC000012217727 553354400 /nfs/dbraw/zinc/35/44/00/553354400.db2.gz VXZOUASWIWOVNN-PMERELPUSA-N 0 3 533.757 4.870 50 0 KJAAHN CC1(C)C[C@H](C(=O)N2CCN(CCOc3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)CC2)CCO1 ZINC000012217728 553354340 /nfs/dbraw/zinc/35/43/40/553354340.db2.gz VXZOUASWIWOVNN-SSEXGKCCSA-N 0 3 533.757 4.870 50 0 KJAAHN COc1cc2nc(N(C)C)c(CN(CCN(C)C)C(=O)c3cccc4c(C)c(C)[nH]c43)cc2c(OC)c1OC ZINC000012245192 553355062 /nfs/dbraw/zinc/35/50/62/553355062.db2.gz JIHCQXBQXNFKDZ-UHFFFAOYSA-N 0 3 533.673 4.629 50 0 KJAAHN O=C1c2cccc(N3CCN(C4Cc5ccccc5C4)CC3)c2C(=O)N1Cc1nc(-c2ccccc2)cs1 ZINC000012247171 1066494721 /nfs/dbraw/zinc/49/47/21/1066494721.db2.gz HYRNDYSXPJJWKW-UHFFFAOYSA-N 0 3 520.658 4.896 50 0 KJAAHN COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CCN(C)C)C(=O)CCn3ccc(C)n3)cc12 ZINC000012247352 553355193 /nfs/dbraw/zinc/35/51/93/553355193.db2.gz HLRPALZCEAZBSQ-UHFFFAOYSA-N 0 3 515.658 4.713 50 0 KJAAHN CSc1ccc2cc(CNCCn3nc(C)cc3C)c(=O)n(Cc3cc4c(cc3Cl)OCO4)c2c1 ZINC000012279771 553356065 /nfs/dbraw/zinc/35/60/65/553356065.db2.gz UYZPCKFISXOQHB-UHFFFAOYSA-N 0 3 511.047 4.757 50 0 KJAAHN COc1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2CN2CCC(c3nncn3C)CC2)c1 ZINC000012283232 553356310 /nfs/dbraw/zinc/35/63/10/553356310.db2.gz NHZIOGNOKLNHBJ-UHFFFAOYSA-N 0 3 511.626 4.888 50 0 KJAAHN O=C(c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374891 553361010 /nfs/dbraw/zinc/36/10/10/553361010.db2.gz GJWFSOKIKWWODA-BSTIKWANSA-N 0 3 503.569 4.863 50 0 KJAAHN O=C(c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374892 553360994 /nfs/dbraw/zinc/36/09/94/553360994.db2.gz GJWFSOKIKWWODA-QATQJLEMSA-N 0 3 503.569 4.863 50 0 KJAAHN O=C(c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374893 553360988 /nfs/dbraw/zinc/36/09/88/553360988.db2.gz GJWFSOKIKWWODA-KEEJEUKHSA-N 0 3 503.569 4.863 50 0 KJAAHN O=C(c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374894 553361004 /nfs/dbraw/zinc/36/10/04/553361004.db2.gz GJWFSOKIKWWODA-WWEGIGGDSA-N 0 3 503.569 4.863 50 0 KJAAHN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374899 553361059 /nfs/dbraw/zinc/36/10/59/553361059.db2.gz FCDAFKFCRCAGPB-NKIICXCBSA-N 0 3 503.569 4.863 50 0 KJAAHN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374900 553361016 /nfs/dbraw/zinc/36/10/16/553361016.db2.gz FCDAFKFCRCAGPB-CEEOKERVSA-N 0 3 503.569 4.863 50 0 KJAAHN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374901 553361066 /nfs/dbraw/zinc/36/10/66/553361066.db2.gz FCDAFKFCRCAGPB-JAQMEJCISA-N 0 3 503.569 4.863 50 0 KJAAHN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374902 553360942 /nfs/dbraw/zinc/36/09/42/553360942.db2.gz FCDAFKFCRCAGPB-SDCRINRVSA-N 0 3 503.569 4.863 50 0 KJAAHN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374925 553361032 /nfs/dbraw/zinc/36/10/32/553361032.db2.gz YNCQVEWSZCJPCW-UHFFFAOYSA-N 0 3 506.594 4.961 50 0 KJAAHN CCCn1c2ccccc2c2nnc(SCC(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)nc21 ZINC000012411483 553363332 /nfs/dbraw/zinc/36/33/32/553363332.db2.gz QFAVLZIICFFIJZ-UHFFFAOYSA-N 0 3 504.704 4.595 50 0 KJAAHN CN(C)CCNc1nc2c(cnn2-c2ccccc2)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000012436684 553366211 /nfs/dbraw/zinc/36/62/11/553366211.db2.gz QGXYHWHPZHFGIE-UHFFFAOYSA-N 0 3 532.696 4.701 50 0 KJAAHN COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCCN(C)CC3)N(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000012453627 553366883 /nfs/dbraw/zinc/36/68/83/553366883.db2.gz CFHJTZWHDAWFRR-RPWUZVMVSA-N 0 3 507.622 4.613 50 0 KJAAHN Cn1cnnc1C1CCN(Cc2cc(-c3ccccc3)ccc2OCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012508441 553382398 /nfs/dbraw/zinc/38/23/98/553382398.db2.gz KWUOGCWLPPKPOM-UHFFFAOYSA-N 0 3 525.609 4.608 50 0 KJAAHN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3cc(OC)ccc3[nH]1)C(C)(C)NC(C)(C)C2 ZINC000012520278 553382573 /nfs/dbraw/zinc/38/25/73/553382573.db2.gz LXGZNNABXCXEKR-UHFFFAOYSA-N 0 3 502.662 4.700 50 0 KJAAHN COc1ccccc1-c1nnc(SCC(=O)NC[C@H](c2ccccc2)N(C)C)n1CCc1ccccc1 ZINC000012530931 553386184 /nfs/dbraw/zinc/38/61/84/553386184.db2.gz XWPRTJOBAZQMMA-RUZDIDTESA-N 0 3 515.683 4.708 50 0 KJAAHN COc1ccccc1-c1nnc(SCC(=O)NC[C@@H](c2ccccc2)N(C)C)n1CCc1ccccc1 ZINC000012530934 553386204 /nfs/dbraw/zinc/38/62/04/553386204.db2.gz XWPRTJOBAZQMMA-VWLOTQADSA-N 0 3 515.683 4.708 50 0 KJAAHN CCOC(=O)c1c2c(sc1NC(=O)CSc1nncn1-c1ccccc1F)C(C)(C)NC(C)(C)C2 ZINC000012562884 553395117 /nfs/dbraw/zinc/39/51/17/553395117.db2.gz JRAJWBAOPQJTPU-UHFFFAOYSA-N 0 3 517.652 4.535 50 0 KJAAHN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000013514004 553468077 /nfs/dbraw/zinc/46/80/77/553468077.db2.gz YSHCDVHRSBXTKW-ZRBLBEILSA-N 0 3 509.356 4.517 50 0 KJAAHN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)NC2CCN(Cc3ccccc3)CC2)c1C ZINC000013524157 553468679 /nfs/dbraw/zinc/46/86/79/553468679.db2.gz PTASUJNJZJOLMA-UHFFFAOYSA-N 0 3 503.643 4.820 50 0 KJAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc(OC)c1OC ZINC000013788291 553491048 /nfs/dbraw/zinc/49/10/48/553491048.db2.gz ORNQRVQPUKWWID-REUBFRLUSA-N 0 3 510.546 4.917 50 0 KJAAHN CN(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)ccc1Cl)c1ccccc1 ZINC000014361130 553514289 /nfs/dbraw/zinc/51/42/89/553514289.db2.gz ALJGDTQOBCSSQX-DFFJHKNISA-N 0 3 516.107 4.620 50 0 KJAAHN CN(C)[C@H](CNC(=O)c1cc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)ccc1Cl)c1ccccc1 ZINC000014361132 553514299 /nfs/dbraw/zinc/51/42/99/553514299.db2.gz ALJGDTQOBCSSQX-GUMMOOENSA-N 0 3 516.107 4.620 50 0 KJAAHN Cc1cc(C)cc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)CN(Cc3ccc(O)cc3)C2)c1 ZINC000014531249 553517430 /nfs/dbraw/zinc/51/74/30/553517430.db2.gz UAJLNCWLGBJILK-WUFINQPMSA-N 0 3 511.666 4.891 50 0 KJAAHN Cn1cc(CN2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3CCc2ccccc2)c2ccccc21 ZINC000014535228 553517845 /nfs/dbraw/zinc/51/78/45/553517845.db2.gz AVVJYDUTUVKLLF-UHFFFAOYSA-N 0 3 507.638 4.615 50 0 KJAAHN COc1ccc(CN2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCc3ccc(C)cc3)C2)cc1OC ZINC000014539363 553518288 /nfs/dbraw/zinc/51/82/88/553518288.db2.gz FANPQKSDRSIKKJ-BJKOFHAPSA-N 0 3 519.617 4.545 50 0 KJAAHN COc1ccc(CN2C[C@H](C(=O)N3CCCC3)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000014542233 553518863 /nfs/dbraw/zinc/51/88/63/553518863.db2.gz AEHPLCJXICPUDI-LEWJYISDSA-N 0 3 506.565 4.862 50 0 KJAAHN COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCN(Cc2cn(C)c4ccccc24)CC3)cc1 ZINC000014542745 553518815 /nfs/dbraw/zinc/51/88/15/553518815.db2.gz ROWXBHDCHHBFSF-UHFFFAOYSA-N 0 3 502.659 4.684 50 0 KJAAHN COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1ccc(OC)cc1)CC2 ZINC000014743853 553519828 /nfs/dbraw/zinc/51/98/28/553519828.db2.gz HZFCRPKRDHAGOE-UHFFFAOYSA-N 0 3 501.627 4.684 50 0 KJAAHN COCCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2 ZINC000014746204 553520086 /nfs/dbraw/zinc/52/00/86/553520086.db2.gz QSUZCHSEEAJGPB-UHFFFAOYSA-N 0 3 510.638 4.777 50 0 KJAAHN COc1ccc(CN2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NC3CCCCC3)C2)cc1OC ZINC000014749061 553520350 /nfs/dbraw/zinc/52/03/50/553520350.db2.gz PGJONIOKIZZMOA-LOSJGSFVSA-N 0 3 519.686 4.718 50 0 KJAAHN COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1cccc(OC)c1)CC2 ZINC000014749131 553520343 /nfs/dbraw/zinc/52/03/43/553520343.db2.gz YBBFQNVCYWWQSM-UHFFFAOYSA-N 0 3 501.627 4.684 50 0 KJAAHN COC(=O)CC[C@H]1CN(Cc2ccc(F)cc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014882851 553521107 /nfs/dbraw/zinc/52/11/07/553521107.db2.gz IXYMNMIIENRJQH-SQJMNOBHSA-N 0 3 507.572 4.810 50 0 KJAAHN O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)NCc1ccc(C(F)(F)F)cc1 ZINC000014884624 553521306 /nfs/dbraw/zinc/52/13/06/553521306.db2.gz QFJHRWOJDMRTFJ-WIOPSUGQSA-N 0 3 524.027 4.978 50 0 KJAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000014961023 553522769 /nfs/dbraw/zinc/52/27/69/553522769.db2.gz WFKARISHGLKRKJ-UHFFFAOYSA-N 0 3 500.668 4.765 50 0 KJAAHN Cc1ccn(CCC(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCCN(C)C3)C2)n1 ZINC000014967924 553522604 /nfs/dbraw/zinc/52/26/04/553522604.db2.gz LNZRWUCSQDCRHI-JOCHJYFZSA-N 0 3 508.688 4.760 50 0 KJAAHN Cc1ccn(CCC(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCCN(C)C3)C2)n1 ZINC000014967929 553522595 /nfs/dbraw/zinc/52/25/95/553522595.db2.gz LNZRWUCSQDCRHI-QFIPXVFZSA-N 0 3 508.688 4.760 50 0 KJAAHN COC(=O)CC[C@H]1CN(Cc2c(F)cccc2F)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014979502 553523235 /nfs/dbraw/zinc/52/32/35/553523235.db2.gz VILDUUOFTLLXRN-UQBPGWFLSA-N 0 3 525.562 4.950 50 0 KJAAHN COC(=O)Cn1c(=O)c(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc2ccc(Cl)cc21 ZINC000014987042 553523873 /nfs/dbraw/zinc/52/38/73/553523873.db2.gz CYCXYCAPPWEEOR-UHFFFAOYSA-N 0 3 531.052 4.976 50 0 KJAAHN Cc1nc(C(=O)N2CCN(CCOc3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)CC2)cs1 ZINC000014992198 553524196 /nfs/dbraw/zinc/52/41/96/553524196.db2.gz RFRHLADPYPPFFR-UHFFFAOYSA-N 0 3 518.727 4.743 50 0 KJAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3cncs3)CC2)cc1 ZINC000015003571 553525234 /nfs/dbraw/zinc/52/52/34/553525234.db2.gz GWKUKDICSGPEQW-UHFFFAOYSA-N 0 3 506.697 4.827 50 0 KJAAHN CN(Cc1ccc(OCCN2CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000015005335 553525163 /nfs/dbraw/zinc/52/51/63/553525163.db2.gz DIXZQZQPLJWHMW-MUUNZHRXSA-N 0 3 530.713 4.595 50 0 KJAAHN CN(Cc1ccc(OCCN2CCN(C(=O)[C@H]3CCOC(C)(C)C3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000015005338 553525081 /nfs/dbraw/zinc/52/50/81/553525081.db2.gz DIXZQZQPLJWHMW-NDEPHWFRSA-N 0 3 530.713 4.595 50 0 KJAAHN COc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1CN1CCC(c2nncn2C)CC1 ZINC000015005408 553525244 /nfs/dbraw/zinc/52/52/44/553525244.db2.gz AYEHZDBTMGTEHR-UHFFFAOYSA-N 0 3 511.626 4.888 50 0 KJAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000015005551 553525098 /nfs/dbraw/zinc/52/50/98/553525098.db2.gz ZHHKKWMVQQJKLG-UHFFFAOYSA-N 0 3 500.668 4.765 50 0 KJAAHN COC(=O)CC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000015067739 553527356 /nfs/dbraw/zinc/52/73/56/553527356.db2.gz SVJGVIPIFAQVDK-LADGPHEKSA-N 0 3 519.608 4.680 50 0 KJAAHN COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCCN(C)CC3)N(Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000015071173 553527320 /nfs/dbraw/zinc/52/73/20/553527320.db2.gz QEXMVKCKAWZELK-RPWUZVMVSA-N 0 3 507.622 4.613 50 0 KJAAHN COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCCN(C)CC3)N(Cc3ccccc3C(F)(F)F)C2)cc1 ZINC000015072897 553527337 /nfs/dbraw/zinc/52/73/37/553527337.db2.gz DLRSAAFQPMDAQZ-VWNXMTODSA-N 0 3 507.622 4.613 50 0 KJAAHN O=C(NCc1cccc(Br)c1)c1ccc2nc(N3CCN(C4CCCCC4)CC3)ccc2n1 ZINC000015725886 553535461 /nfs/dbraw/zinc/53/54/61/553535461.db2.gz JNCSSTBSRVNHQI-UHFFFAOYSA-N 0 3 508.464 4.777 50 0 KJAAHN COc1ccc(-c2nc(CN3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)c(C)o2)cc1OC ZINC000015942328 553543679 /nfs/dbraw/zinc/54/36/79/553543679.db2.gz AJAVVUSBEFBYFK-UHFFFAOYSA-N 0 3 532.685 4.660 50 0 KJAAHN Cc1cccc2c1NC(=O)[C@]21C(=C(O)c2ccc(OC(C)C)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000016025725 553551227 /nfs/dbraw/zinc/55/12/27/553551227.db2.gz SHZNRDYZSOJXCP-AFSZJOKHSA-N 0 3 521.617 4.797 50 0 biogenic KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2cc(C)cc(C)c2s1 ZINC000017287598 553592139 /nfs/dbraw/zinc/59/21/39/553592139.db2.gz MSWDFRIWVJZPPP-UHFFFAOYSA-N 0 3 514.717 4.686 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2ccc(F)cc2s1 ZINC000017287613 553592118 /nfs/dbraw/zinc/59/21/18/553592118.db2.gz KKLKDPHZUDAUCI-UHFFFAOYSA-N 0 3 532.707 4.989 50 0 KJAAHN CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@@H](O)CN(CCO)CCO)c2ccccc12 ZINC000017297205 553592308 /nfs/dbraw/zinc/59/23/08/553592308.db2.gz NIWJEYOEHMNEJG-SANMLTNESA-N 0 3 544.692 4.675 50 0 KJAAHN CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@H](O)CN(CCO)CCO)c2ccccc12 ZINC000017297208 553592349 /nfs/dbraw/zinc/59/23/49/553592349.db2.gz NIWJEYOEHMNEJG-AREMUKBSSA-N 0 3 544.692 4.675 50 0 KJAAHN CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCCN(C)Cc4ccccc4)c3c2)CC1 ZINC000017357227 553594575 /nfs/dbraw/zinc/59/45/75/553594575.db2.gz RJWIXZYMUAWTFI-UHFFFAOYSA-N 0 3 557.720 4.579 50 0 KJAAHN CCOc1cccc2sc(N(CCN(CC)CC)C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc21 ZINC000017376283 553594878 /nfs/dbraw/zinc/59/48/78/553594878.db2.gz PXOSAAHZVBFMPX-UHFFFAOYSA-N 0 3 544.743 4.858 50 0 KJAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000017596025 553598754 /nfs/dbraw/zinc/59/87/54/553598754.db2.gz IXBZKSGTYRHANP-UHFFFAOYSA-N 0 3 536.094 4.656 50 0 KJAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1OC ZINC000018010912 553601441 /nfs/dbraw/zinc/60/14/41/553601441.db2.gz BZYYLYYTEBWSRW-VJGNERBWSA-N 0 3 502.567 4.934 50 0 KJAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OCC)C(=O)C3ON2c2ccccc2)cc1OC ZINC000018033630 553601910 /nfs/dbraw/zinc/60/19/10/553601910.db2.gz LRBKOSZXIYIYBS-PFBJBMPXSA-N 0 3 502.567 4.934 50 0 KJAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000018038130 553601841 /nfs/dbraw/zinc/60/18/41/553601841.db2.gz GLCNHWBHNNLGNE-IARZGTGTSA-N 0 3 520.541 4.966 50 0 KJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc(OC)cc2)cc1 ZINC000018054735 553602218 /nfs/dbraw/zinc/60/22/18/553602218.db2.gz DPSCPAUNQJIQFK-ZRBLBEILSA-N 0 3 509.356 4.517 50 0 KJAAHN COc1ccc([C@@H]2NN(C(=O)c3ccc(C)cc3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)cc1 ZINC000018059857 553602444 /nfs/dbraw/zinc/60/24/44/553602444.db2.gz RHWGIEUEWUDEIY-VABKMULXSA-N 0 3 510.377 4.570 50 0 KJAAHN O=C1C2ON(c3ccc(Br)cc3)[C@@H](c3cccnc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000018083943 553603826 /nfs/dbraw/zinc/60/38/26/553603826.db2.gz QWVYWZXTRYISRT-UFYCRDLUSA-N 0 3 518.289 4.914 50 0 KJAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000018101197 553604070 /nfs/dbraw/zinc/60/40/70/553604070.db2.gz OXSDCKPRHHQRMH-PFBJBMPXSA-N 0 3 502.567 4.934 50 0 KJAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000018118315 553604964 /nfs/dbraw/zinc/60/49/64/553604964.db2.gz XITPCMNFQGWLBM-VJGNERBWSA-N 0 3 502.567 4.934 50 0 KJAAHN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 ZINC000018143025 553605938 /nfs/dbraw/zinc/60/59/38/553605938.db2.gz DQXZJFFQKXFJNL-HJOGWXRNSA-N 0 3 518.411 4.580 50 0 KJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c(OC)c1OC ZINC000018175352 553607208 /nfs/dbraw/zinc/60/72/08/553607208.db2.gz BKVGQQYQSQAJSB-SKVJQKLOSA-N 0 3 510.546 4.917 50 0 KJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c(OC)c1OC ZINC000018175352 553607207 /nfs/dbraw/zinc/60/72/07/553607207.db2.gz BKVGQQYQSQAJSB-SKVJQKLOSA-N 0 3 510.546 4.917 50 0 KJAAHN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2C2CCN(Cc3ccccc3)CC2)cc1 ZINC000018195354 553608670 /nfs/dbraw/zinc/60/86/70/553608670.db2.gz XDWBKZMTESINTQ-MHZLTWQESA-N 0 3 528.678 4.691 50 0 KJAAHN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2C2CCN(Cc3ccccc3)CC2)cc1 ZINC000018195356 553608650 /nfs/dbraw/zinc/60/86/50/553608650.db2.gz XDWBKZMTESINTQ-HHHXNRCGSA-N 0 3 528.678 4.691 50 0 KJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1Br ZINC000018205671 553610530 /nfs/dbraw/zinc/61/05/30/553610530.db2.gz DZNKLUCVFPQYRL-ZRBLBEILSA-N 0 3 509.356 4.517 50 0 KJAAHN COc1cc(OC)c([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OC ZINC000018207080 553610551 /nfs/dbraw/zinc/61/05/51/553610551.db2.gz BVYWYZXWCUQGJJ-FCEKVYKBSA-N 0 3 510.546 4.917 50 0 KJAAHN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369918 553614084 /nfs/dbraw/zinc/61/40/84/553614084.db2.gz XESODQRWBFMKEB-CBYBEUNKSA-N 0 3 500.683 4.679 50 0 biogenic KJAAHN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000019369920 553614140 /nfs/dbraw/zinc/61/41/40/553614140.db2.gz XESODQRWBFMKEB-HYMOCLBVSA-N 0 3 500.683 4.679 50 0 biogenic KJAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000019854687 553624162 /nfs/dbraw/zinc/62/41/62/553624162.db2.gz SDALHPNZAOPIDL-WMPKNSHKSA-N 0 3 532.688 4.942 50 0 KJAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000019854689 553624182 /nfs/dbraw/zinc/62/41/82/553624182.db2.gz SDALHPNZAOPIDL-CLJLJLNGSA-N 0 3 532.688 4.942 50 0 KJAAHN O[C@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000019854691 553624072 /nfs/dbraw/zinc/62/40/72/553624072.db2.gz SDALHPNZAOPIDL-UIOOFZCWSA-N 0 3 532.688 4.942 50 0 KJAAHN O=C(NCCCN1CCN(C2CCCCC2)CC1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000020105488 553689775 /nfs/dbraw/zinc/68/97/75/553689775.db2.gz YWFAWEHPNMJDGX-UHFFFAOYSA-N 0 3 517.718 4.594 50 0 KJAAHN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCCCC2)cc1 ZINC000020107944 553690942 /nfs/dbraw/zinc/69/09/42/553690942.db2.gz LUMURRGFYOTQLW-DEOSSOPVSA-N 0 3 529.106 4.946 50 0 KJAAHN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCCCC2)cc1 ZINC000020107946 553690837 /nfs/dbraw/zinc/69/08/37/553690837.db2.gz LUMURRGFYOTQLW-XMMPIXPASA-N 0 3 529.106 4.946 50 0 KJAAHN CCN1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000020109085 553692102 /nfs/dbraw/zinc/69/21/02/553692102.db2.gz IYMILNLWPOOXJA-OFQAEJFBSA-N 0 3 515.629 4.916 50 0 KJAAHN CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCN3CCC(C)CC3)C2=S)cc1 ZINC000020114929 553695996 /nfs/dbraw/zinc/69/59/96/553695996.db2.gz NHOSZAXFTCOPMZ-XMMPIXPASA-N 0 3 529.106 4.802 50 0 KJAAHN CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCN3CCC(C)CC3)C2=S)cc1 ZINC000020114931 553695987 /nfs/dbraw/zinc/69/59/87/553695987.db2.gz NHOSZAXFTCOPMZ-DEOSSOPVSA-N 0 3 529.106 4.802 50 0 KJAAHN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000020114957 553695983 /nfs/dbraw/zinc/69/59/83/553695983.db2.gz NPXJRIJDAPQBAU-DEOSSOPVSA-N 0 3 529.106 4.802 50 0 KJAAHN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000020114959 553696036 /nfs/dbraw/zinc/69/60/36/553696036.db2.gz NPXJRIJDAPQBAU-XMMPIXPASA-N 0 3 529.106 4.802 50 0 KJAAHN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000020115116 553696572 /nfs/dbraw/zinc/69/65/72/553696572.db2.gz BVJKDEVEDWPSPS-SANMLTNESA-N 0 3 522.715 4.847 50 0 KJAAHN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000020115118 553696674 /nfs/dbraw/zinc/69/66/74/553696674.db2.gz BVJKDEVEDWPSPS-AREMUKBSSA-N 0 3 522.715 4.847 50 0 KJAAHN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCCCC2)cc1 ZINC000020115218 553696823 /nfs/dbraw/zinc/69/68/23/553696823.db2.gz YHTZSIPBZKJNQV-QHCPKHFHSA-N 0 3 515.079 4.556 50 0 KJAAHN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCCCC2)cc1 ZINC000020115220 553696870 /nfs/dbraw/zinc/69/68/70/553696870.db2.gz YHTZSIPBZKJNQV-HSZRJFAPSA-N 0 3 515.079 4.556 50 0 KJAAHN CN(Cc1ccc(OCCN2CCN(C(=O)c3cccs3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000020119147 553591040 /nfs/dbraw/zinc/59/10/40/553591040.db2.gz VFBBEUDXQLQPMT-UHFFFAOYSA-N 0 3 500.668 4.765 50 0 KJAAHN COC(=O)CC[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000020149069 553594580 /nfs/dbraw/zinc/59/45/80/553594580.db2.gz CCAONXZFFBNPSD-XUZZJYLKSA-N 0 3 507.572 4.810 50 0 KJAAHN CCN1CCN(c2cc(C)c3cc(NC(=S)NC4CCN(Cc5ccccc5)CC4)ccc3n2)CC1 ZINC000020153643 553598312 /nfs/dbraw/zinc/59/83/12/553598312.db2.gz JZHMUHBUQKMNRF-UHFFFAOYSA-N 0 3 502.732 4.636 50 0 KJAAHN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155555 553599800 /nfs/dbraw/zinc/59/98/00/553599800.db2.gz XVKIIKDIANGNBB-XZWHSSHBSA-N 0 3 531.697 4.798 50 0 KJAAHN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155557 553599733 /nfs/dbraw/zinc/59/97/33/553599733.db2.gz XVKIIKDIANGNBB-KYJUHHDHSA-N 0 3 531.697 4.798 50 0 KJAAHN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155558 553599785 /nfs/dbraw/zinc/59/97/85/553599785.db2.gz XVKIIKDIANGNBB-LOYHVIPDSA-N 0 3 531.697 4.798 50 0 KJAAHN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)N3CCN(C4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020155560 553599712 /nfs/dbraw/zinc/59/97/12/553599712.db2.gz XVKIIKDIANGNBB-IHLOFXLRSA-N 0 3 531.697 4.798 50 0 KJAAHN COc1ccc(/C=C2/Sc3ccc(C(=O)NCCN(C)CCc4ccccc4)cc3N(C)C2=O)cc1 ZINC000020179655 553603474 /nfs/dbraw/zinc/60/34/74/553603474.db2.gz SFQPNERGBMQNBG-ZXVVBBHZSA-N 0 3 501.652 4.709 50 0 KJAAHN CCN1CCC[C@@H]1CNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 ZINC000020180972 553604199 /nfs/dbraw/zinc/60/41/99/553604199.db2.gz WXAQHMLFVLJRRB-VZMFNRANSA-N 0 3 500.462 4.529 50 0 KJAAHN CCN1CCC[C@H]1CNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 ZINC000020180974 553604241 /nfs/dbraw/zinc/60/42/41/553604241.db2.gz WXAQHMLFVLJRRB-KWJZBXMYSA-N 0 3 500.462 4.529 50 0 KJAAHN Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1 ZINC000020182488 553604864 /nfs/dbraw/zinc/60/48/64/553604864.db2.gz XSWFZIAZCGBOQL-SANMLTNESA-N 0 3 523.662 4.626 50 0 KJAAHN Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1 ZINC000020182491 553604880 /nfs/dbraw/zinc/60/48/80/553604880.db2.gz XSWFZIAZCGBOQL-AREMUKBSSA-N 0 3 523.662 4.626 50 0 KJAAHN Cc1cc(N2CCCC2)nc2ccc(NC(=S)NCCCN3CCN(Cc4ccccc4)CC3)cc12 ZINC000020183156 553604938 /nfs/dbraw/zinc/60/49/38/553604938.db2.gz FONBMAUVNMFGLF-UHFFFAOYSA-N 0 3 502.732 4.638 50 0 KJAAHN Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)NCCCN1CCC(Cc2ccccc2)CC1 ZINC000020241527 553626676 /nfs/dbraw/zinc/62/66/76/553626676.db2.gz BJKGEBIIWSRTIB-BHVANESWSA-N 0 3 507.700 4.668 50 0 KJAAHN Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)NCCCN1CCC(Cc2ccccc2)CC1 ZINC000020241529 553626813 /nfs/dbraw/zinc/62/68/13/553626813.db2.gz BJKGEBIIWSRTIB-PSXMRANNSA-N 0 3 507.700 4.668 50 0 KJAAHN CCN(CC)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242276 553627014 /nfs/dbraw/zinc/62/70/14/553627014.db2.gz WOCQJUIVOBIDKU-PGUFJCEWSA-N 0 3 510.059 4.739 50 0 KJAAHN CCN(CC)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1[S@]2=O ZINC000020242278 553627077 /nfs/dbraw/zinc/62/70/77/553627077.db2.gz WOCQJUIVOBIDKU-DHUJRADRSA-N 0 3 510.059 4.739 50 0 KJAAHN CCCN(CCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242824 553627861 /nfs/dbraw/zinc/62/78/61/553627861.db2.gz DBKOKJGIBSJXSG-PSXMRANNSA-N 0 3 503.668 4.866 50 0 KJAAHN CCCN(CCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O ZINC000020242826 553627781 /nfs/dbraw/zinc/62/77/81/553627781.db2.gz DBKOKJGIBSJXSG-BHVANESWSA-N 0 3 503.668 4.866 50 0 KJAAHN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020412407 553646908 /nfs/dbraw/zinc/64/69/08/553646908.db2.gz XESODQRWBFMKEB-PJXACDNCSA-N 0 3 500.683 4.679 50 0 biogenic KJAAHN c1nn(-c2ccccc2)c2nc(N3CCOCC3)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000020463759 553656787 /nfs/dbraw/zinc/65/67/87/553656787.db2.gz XGEFISKRTGVTHI-UHFFFAOYSA-N 0 3 531.664 4.564 50 0 KJAAHN CCCCOc1ccc(CNC(=O)c2cccn2-c2nnc(N3CCN(C4CCCCC4)CC3)s2)cc1 ZINC000020464615 553656861 /nfs/dbraw/zinc/65/68/61/553656861.db2.gz GHPFJEVSKLQBGM-UHFFFAOYSA-N 0 3 522.719 4.892 50 0 KJAAHN CCCN1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 ZINC000020508656 553668097 /nfs/dbraw/zinc/66/80/97/553668097.db2.gz QCCHXAHHZYHFNY-RRPNLBNLSA-N 0 3 508.732 4.505 50 0 KJAAHN CCCN1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 ZINC000020508661 553668377 /nfs/dbraw/zinc/66/83/77/553668377.db2.gz QCCHXAHHZYHFNY-KAYWLYCHSA-N 0 3 508.732 4.505 50 0 KJAAHN CCCN1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 ZINC000020508665 553668459 /nfs/dbraw/zinc/66/84/59/553668459.db2.gz QCCHXAHHZYHFNY-SVBPBHIXSA-N 0 3 508.732 4.505 50 0 KJAAHN CCCN1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 ZINC000020508670 553668456 /nfs/dbraw/zinc/66/84/56/553668456.db2.gz QCCHXAHHZYHFNY-SXOMAYOGSA-N 0 3 508.732 4.505 50 0 KJAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1 ZINC000020508880 553668398 /nfs/dbraw/zinc/66/83/98/553668398.db2.gz VWYGPXFVBQPHHE-UHFFFAOYSA-N 0 3 513.594 4.750 50 0 KJAAHN COc1ccc([C@@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561251 553672230 /nfs/dbraw/zinc/67/22/30/553672230.db2.gz YXWYILQXQWJVHW-HHHXNRCGSA-N 0 3 513.638 4.572 50 0 KJAAHN COc1ccc([C@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561254 553672239 /nfs/dbraw/zinc/67/22/39/553672239.db2.gz YXWYILQXQWJVHW-MHZLTWQESA-N 0 3 513.638 4.572 50 0 KJAAHN O=C(NCCc1ccccc1F)[C@@H]1C[C@H](NCc2cc(F)ccc2F)CN1Cc1cccc(Cl)c1 ZINC000020600697 1066371939 /nfs/dbraw/zinc/37/19/39/1066371939.db2.gz NRICPBXREAEFGG-OZXSUGGESA-N 0 3 501.980 4.849 50 0 KJAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccc(CC)cc3)N2C1=O ZINC000020643121 553683239 /nfs/dbraw/zinc/68/32/39/553683239.db2.gz KWUZTFVEGJHWRA-GOTSBHOMSA-N 0 3 519.671 4.664 50 0 KJAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccc(CC)cc3)N2C1=O ZINC000020643123 553683247 /nfs/dbraw/zinc/68/32/47/553683247.db2.gz KWUZTFVEGJHWRA-PKTZIBPZSA-N 0 3 519.671 4.664 50 0 KJAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccc(CC)cc3)N2C1=O ZINC000020643125 553683209 /nfs/dbraw/zinc/68/32/09/553683209.db2.gz KWUZTFVEGJHWRA-XZOQPEGZSA-N 0 3 519.671 4.664 50 0 KJAAHN CCCCNC(=O)CC1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccc(CC)cc3)N2C1=O ZINC000020643127 553683243 /nfs/dbraw/zinc/68/32/43/553683243.db2.gz KWUZTFVEGJHWRA-DHIUTWEWSA-N 0 3 519.671 4.664 50 0 KJAAHN O=C(CCc1cn(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc12)N1CCOCC1 ZINC000020649957 553685316 /nfs/dbraw/zinc/68/53/16/553685316.db2.gz AAXDJLWMZWXRCS-UHFFFAOYSA-N 0 3 522.693 4.797 50 0 KJAAHN CN1CCN(C(=O)CCc2cn(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c3ccccc23)CC1 ZINC000020650080 553685596 /nfs/dbraw/zinc/68/55/96/553685596.db2.gz AOFUHDXCHBTMJI-UHFFFAOYSA-N 0 3 535.736 4.713 50 0 KJAAHN Cc1ccc(CN2CCN(C(=S)NCC(=O)NCCc3ccc(Cl)cc3)CC23CCCCC3)cc1 ZINC000020687349 553689215 /nfs/dbraw/zinc/68/92/15/553689215.db2.gz ZRKXVAYMOWQNKT-UHFFFAOYSA-N 0 3 513.151 4.702 50 0 KJAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000020737246 553694263 /nfs/dbraw/zinc/69/42/63/553694263.db2.gz OTAQHFRTQRYDPN-RRAHZORUSA-N 0 3 512.679 4.710 50 0 KJAAHN CCc1ccc(S(=O)(=O)Cc2nc(-c3ccc(C(=O)NCCN4CCCCCC4)cc3)oc2C)cc1 ZINC000020864249 553700482 /nfs/dbraw/zinc/70/04/82/553700482.db2.gz JGBNEJGINQSJLN-UHFFFAOYSA-N 0 3 509.672 4.792 50 0 KJAAHN Cc1cccc(N2CCN(CCCNC(=O)CCN3c4ccccc4Sc4ncccc4C3=O)[C@H](C)C2)c1 ZINC000020864653 553700797 /nfs/dbraw/zinc/70/07/97/553700797.db2.gz LSHPKWRBIQDLEF-HSZRJFAPSA-N 0 3 529.710 4.609 50 0 KJAAHN Cc1cccc(N2CCN(CCCNC(=O)CCN3c4ccccc4Sc4ncccc4C3=O)[C@@H](C)C2)c1 ZINC000020864658 553700755 /nfs/dbraw/zinc/70/07/55/553700755.db2.gz LSHPKWRBIQDLEF-QHCPKHFHSA-N 0 3 529.710 4.609 50 0 KJAAHN O=C(C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1)N1CCN(C2CCCCC2)CC1 ZINC000021158756 553708041 /nfs/dbraw/zinc/70/80/41/553708041.db2.gz RBCRTAXSICZJEN-UHFFFAOYSA-N 0 3 503.666 4.917 50 0 KJAAHN O=C(C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000021158825 553708078 /nfs/dbraw/zinc/70/80/78/553708078.db2.gz WYPQJTGHCRVKBA-UHFFFAOYSA-N 0 3 503.666 4.917 50 0 KJAAHN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1C1CCN(Cc2ccccc2)CC1 ZINC000021858252 553718374 /nfs/dbraw/zinc/71/83/74/553718374.db2.gz DDZXBADWEUTPOA-YTTGMZPUSA-N 0 3 506.650 4.837 50 0 KJAAHN C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1C1CCN(Cc2ccccc2)CC1 ZINC000021858257 553718684 /nfs/dbraw/zinc/71/86/84/553718684.db2.gz DDZXBADWEUTPOA-JGCGQSQUSA-N 0 3 506.650 4.837 50 0 KJAAHN CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)NC4CCN(Cc5ccccc5)CC4)[nH]c(=O)c32)C1 ZINC000021882596 553720256 /nfs/dbraw/zinc/72/02/56/553720256.db2.gz IUAMIWAQVNIUED-HXUWFJFHSA-N 0 3 506.716 4.849 50 0 KJAAHN CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)NC4CCN(Cc5ccccc5)CC4)[nH]c(=O)c32)C1 ZINC000021882597 553720175 /nfs/dbraw/zinc/72/01/75/553720175.db2.gz IUAMIWAQVNIUED-FQEVSTJZSA-N 0 3 506.716 4.849 50 0 KJAAHN COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000022010579 553722934 /nfs/dbraw/zinc/72/29/34/553722934.db2.gz CNPVJJQCETWNEU-CYFREDJKSA-N 0 3 533.639 4.501 50 0 investigational KJAAHN O=C(NCCCN1CCN(CCCNC(=O)c2ccc(Cl)cc2Cl)CC1)c1ccc(Cl)cc1Cl ZINC000022790730 553750690 /nfs/dbraw/zinc/75/06/90/553750690.db2.gz FNOLLROFFUMHRE-UHFFFAOYSA-N 0 3 546.326 4.858 50 0 KJAAHN O=C(NCCCN1CCN(CCCNC(=O)c2cc(Cl)ccc2Cl)CC1)c1cc(Cl)ccc1Cl ZINC000022790750 553750616 /nfs/dbraw/zinc/75/06/16/553750616.db2.gz LHYXDSDSRMJDRK-UHFFFAOYSA-N 0 3 546.326 4.858 50 0 KJAAHN O=C(NCCCN1CCN(Cc2c(F)cccc2Cl)CC1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 ZINC000022795584 553750602 /nfs/dbraw/zinc/75/06/02/553750602.db2.gz QIMYWIVNLPNRGT-UHFFFAOYSA-N 0 3 532.369 4.737 50 0 KJAAHN Cc1ccc(NC(=O)c2c(NC(=O)CNCCN3CCOCC3)sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000022939041 553768187 /nfs/dbraw/zinc/76/81/87/553768187.db2.gz ZOIFEHFGPJGZLB-NRFANRHFSA-N 0 3 526.747 4.629 50 0 KJAAHN Cc1ccc(NC(=O)c2c(NC(=O)CNCCN3CCOCC3)sc3c2CC[C@@H](C(C)(C)C)C3)c(C)c1 ZINC000022939044 553768161 /nfs/dbraw/zinc/76/81/61/553768161.db2.gz ZOIFEHFGPJGZLB-OAQYLSRUSA-N 0 3 526.747 4.629 50 0 KJAAHN CCN1CCN(CCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)/C(=C/c2ccccc2)S3)CC1 ZINC000022947464 553768383 /nfs/dbraw/zinc/76/83/83/553768383.db2.gz HUPYQMLQKXCLRB-BRPDVVIDSA-N 0 3 544.696 4.873 50 0 KJAAHN CN1CCN(CCCNC(=O)c2ccc(/C=C3\Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1 ZINC000022952259 553768672 /nfs/dbraw/zinc/76/86/72/553768672.db2.gz CVNFAHUWZOMTIY-ANYBSYGZSA-N 0 3 544.696 4.873 50 0 KJAAHN CCN1CCN(CCNC(=O)c2ccc(/C=C3\Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1 ZINC000022952262 553768686 /nfs/dbraw/zinc/76/86/86/553768686.db2.gz LKWNQQVTFQKJHY-ANYBSYGZSA-N 0 3 544.696 4.873 50 0 KJAAHN CN1CCN(CCCNC(=O)c2ccc(/C=C3\Sc4ccccc4N(Cc4ccc(F)cc4)C3=O)cc2)CC1 ZINC000022952264 553768651 /nfs/dbraw/zinc/76/86/51/553768651.db2.gz MARWGYIDDCFJRT-ANYBSYGZSA-N 0 3 544.696 4.873 50 0 KJAAHN COc1ccc(CN[C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)c(OC)c1 ZINC000023359033 1066247686 /nfs/dbraw/zinc/24/76/86/1066247686.db2.gz GIEGTGPBJIQPFU-IGKIAQTJSA-N 0 3 526.052 4.588 50 0 KJAAHN CCOC(=O)CCC(=O)Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023425803 553775075 /nfs/dbraw/zinc/77/50/75/553775075.db2.gz NBSKXPDYVSIAMB-UHFFFAOYSA-N 0 3 516.564 4.833 50 0 KJAAHN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(OC)c3)CC2)c1 ZINC000027088632 553825227 /nfs/dbraw/zinc/82/52/27/553825227.db2.gz WMYSXJSJXZFODY-UHFFFAOYSA-N 0 3 590.721 4.667 50 0 in-vivo KJAAHN Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000028704875 553843534 /nfs/dbraw/zinc/84/35/34/553843534.db2.gz QAGYKUNXZHXKMR-QTYFXCGKSA-N 0 3 567.796 4.748 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000029749195 553851243 /nfs/dbraw/zinc/85/12/43/553851243.db2.gz SZGGTOHBUUVFOD-WUFINQPMSA-N 0 3 610.740 4.543 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000029749200 553851330 /nfs/dbraw/zinc/85/13/30/553851330.db2.gz SZGGTOHBUUVFOD-NSOVKSMOSA-N 0 3 610.740 4.543 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000029749204 553851271 /nfs/dbraw/zinc/85/12/71/553851271.db2.gz SZGGTOHBUUVFOD-VSGBNLITSA-N 0 3 610.740 4.543 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000029749208 553851276 /nfs/dbraw/zinc/85/12/76/553851276.db2.gz SZGGTOHBUUVFOD-IZLXSDGUSA-N 0 3 610.740 4.543 50 0 KJAAHN COc1cccc(CN[C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)c1OC ZINC000032573403 553869257 /nfs/dbraw/zinc/86/92/57/553869257.db2.gz FSUWOWYLMACPBK-AHWVRZQESA-N 0 3 526.052 4.588 50 0 KJAAHN CC(C)N1C[C@H](NCc2cccc(Oc3ccccc3)c2)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000032586982 553869655 /nfs/dbraw/zinc/86/96/55/553869655.db2.gz BOLNXVKNAMCOIZ-SQHAQQRYSA-N 0 3 501.627 4.507 50 0 KJAAHN O=C(NCCc1ccccc1F)[C@@H]1C[C@H](NCc2ccc(F)cc2F)CN1Cc1cccc(Cl)c1 ZINC000032587178 1066481517 /nfs/dbraw/zinc/48/15/17/1066481517.db2.gz FRMIIXNSCVZUBP-OZXSUGGESA-N 0 3 501.980 4.849 50 0 KJAAHN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000033026971 553890658 /nfs/dbraw/zinc/89/06/58/553890658.db2.gz URDRIRMZCBLBOX-UHFFFAOYSA-N 0 3 512.075 4.950 50 0 KJAAHN O=C(Nc1cccc(C(=O)NCCN2CCCCCC2)c1)c1nnc(COc2ccc(Cl)cc2)s1 ZINC000033027143 553890722 /nfs/dbraw/zinc/89/07/22/553890722.db2.gz LJYOXNJRZAEJRL-UHFFFAOYSA-N 0 3 514.051 4.629 50 0 KJAAHN C[C@@H]1CCCCN1CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC000033027146 553890560 /nfs/dbraw/zinc/89/05/60/553890560.db2.gz KTKACLMHWUTPGK-QGZVFWFLSA-N 0 3 514.051 4.627 50 0 KJAAHN C[C@H]1CCCCN1CCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC000033027147 553890760 /nfs/dbraw/zinc/89/07/60/553890760.db2.gz KTKACLMHWUTPGK-KRWDZBQOSA-N 0 3 514.051 4.627 50 0 KJAAHN COc1ccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC000033252320 553913930 /nfs/dbraw/zinc/91/39/30/553913930.db2.gz KZBYELXDHWMRJC-UHFFFAOYSA-N 0 3 501.656 4.606 50 0 KJAAHN O=C(c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000033354949 553932681 /nfs/dbraw/zinc/93/26/81/553932681.db2.gz PEJYZEIQQHOZSR-UHFFFAOYSA-N 0 3 553.585 4.870 50 0 KJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1 ZINC000033356054 553938579 /nfs/dbraw/zinc/93/85/79/553938579.db2.gz WZIARCGWZVPAGD-UHFFFAOYSA-N 0 3 576.672 4.793 50 0 KJAAHN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1nnc(-c2ccc(CN3CCc4ccccc4C3)cc2)o1 ZINC000033356159 553939560 /nfs/dbraw/zinc/93/95/60/553939560.db2.gz HLBVPWUPMMHNQM-UHFFFAOYSA-N 0 3 557.098 4.500 50 0 KJAAHN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCC2)C(=O)CC(C)(C)C)cc1OC ZINC000033453040 553960747 /nfs/dbraw/zinc/96/07/47/553960747.db2.gz BDQNJMLBIFDVJH-UHFFFAOYSA-N 0 3 527.706 4.537 50 0 KJAAHN COc1ccc(CN(C(=O)c2cccc(F)c2)c2ccc(CC(=O)NCCN3CCCCC3)cc2)cc1 ZINC000034679669 553984223 /nfs/dbraw/zinc/98/42/23/553984223.db2.gz DDXBTTOPBMESLO-UHFFFAOYSA-N 0 3 503.618 4.826 50 0 KJAAHN COc1cccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NCCN3CCCCC3)cc2)c1 ZINC000034680037 553984228 /nfs/dbraw/zinc/98/42/28/553984228.db2.gz IVUXYZPKURBCDY-UHFFFAOYSA-N 0 3 503.618 4.826 50 0 KJAAHN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)CC(C)C)CC2)C(=O)NCCN1CCCC1 ZINC000034686364 553988424 /nfs/dbraw/zinc/98/84/24/553988424.db2.gz SARVIFZYSPXYRJ-JDXGNMNLSA-N 0 3 505.703 4.885 50 0 KJAAHN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)CC(C)C)CC2)C(=O)NCCN1CCCC1 ZINC000034686365 553988358 /nfs/dbraw/zinc/98/83/58/553988358.db2.gz SARVIFZYSPXYRJ-DGPALRBDSA-N 0 3 505.703 4.885 50 0 KJAAHN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)CC(C)C)CC2)C(=O)NCCN1CCCC1 ZINC000034686366 553988460 /nfs/dbraw/zinc/98/84/60/553988460.db2.gz SARVIFZYSPXYRJ-MFMCTBQISA-N 0 3 505.703 4.885 50 0 KJAAHN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)CC(C)C)CC2)C(=O)NCCN1CCCC1 ZINC000034686367 553988354 /nfs/dbraw/zinc/98/83/54/553988354.db2.gz SARVIFZYSPXYRJ-PQHLKRTFSA-N 0 3 505.703 4.885 50 0 KJAAHN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC2)C(=O)NCCN1CCCC1 ZINC000034686440 553988438 /nfs/dbraw/zinc/98/84/38/553988438.db2.gz RAHLMGWUHXXMPE-VMPREFPWSA-N 0 3 521.677 4.859 50 0 KJAAHN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC2)C(=O)NCCN1CCCC1 ZINC000034686441 553988362 /nfs/dbraw/zinc/98/83/62/553988362.db2.gz RAHLMGWUHXXMPE-WDYNHAJCSA-N 0 3 521.677 4.859 50 0 KJAAHN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC2)C(=O)NCCN1CCCC1 ZINC000034686442 553988377 /nfs/dbraw/zinc/98/83/77/553988377.db2.gz RAHLMGWUHXXMPE-URLMMPGGSA-N 0 3 521.677 4.859 50 0 KJAAHN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CCCC1)CC2)C(=O)NCCN1CCCC1 ZINC000034686443 553988445 /nfs/dbraw/zinc/98/84/45/553988445.db2.gz RAHLMGWUHXXMPE-FQLXRVMXSA-N 0 3 521.677 4.859 50 0 KJAAHN COc1cccc(N2CCN(C[C@@H]3CN(C(=O)c4ccco4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698091 553991211 /nfs/dbraw/zinc/99/12/11/553991211.db2.gz KNGLWBIZHGJSTK-PXDATVDWSA-N 0 3 513.560 4.985 50 0 KJAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)c4ccco4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698092 553991169 /nfs/dbraw/zinc/99/11/69/553991169.db2.gz KNGLWBIZHGJSTK-SQJMNOBHSA-N 0 3 513.560 4.985 50 0 KJAAHN COc1cccc(N2CCN(C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698093 553991155 /nfs/dbraw/zinc/99/11/55/553991155.db2.gz KNGLWBIZHGJSTK-BWKNWUBXSA-N 0 3 513.560 4.985 50 0 KJAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)c4ccco4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698094 553991161 /nfs/dbraw/zinc/99/11/61/553991161.db2.gz KNGLWBIZHGJSTK-OFVILXPXSA-N 0 3 513.560 4.985 50 0 KJAAHN COc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H](CN3CCN(c4ccc(F)cc4)CC3)C2)cc1OC ZINC000034698365 553991113 /nfs/dbraw/zinc/99/11/13/553991113.db2.gz CUMSVULOKZANCW-HOFKKMOUSA-N 0 3 521.608 4.660 50 0 KJAAHN COc1ccc(C(=O)N2C[C@@H](CN3CCN(c4ccc(F)cc4)CC3)[C@H](c3cccc(F)c3)C2)cc1OC ZINC000034698366 553991055 /nfs/dbraw/zinc/99/10/55/553991055.db2.gz CUMSVULOKZANCW-KCWPFWIISA-N 0 3 521.608 4.660 50 0 KJAAHN COc1ccc(C(=O)N2C[C@H](CN3CCN(c4ccc(F)cc4)CC3)[C@@H](c3cccc(F)c3)C2)cc1OC ZINC000034698367 553991276 /nfs/dbraw/zinc/99/12/76/553991276.db2.gz CUMSVULOKZANCW-WNCULLNHSA-N 0 3 521.608 4.660 50 0 KJAAHN COc1ccc(C(=O)N2C[C@@H](CN3CCN(c4ccc(F)cc4)CC3)[C@@H](c3cccc(F)c3)C2)cc1OC ZINC000034698368 553991121 /nfs/dbraw/zinc/99/11/21/553991121.db2.gz CUMSVULOKZANCW-YIXXDRMTSA-N 0 3 521.608 4.660 50 0 KJAAHN Cc1cccc([C@@H]2c3cc(O[C@@H](C)C(=O)NCCN4CCCC4)ccc3CCN2C(=O)c2ccccc2)c1 ZINC000034708182 553994300 /nfs/dbraw/zinc/99/43/00/553994300.db2.gz DTMLCCRFXKVCIZ-QABMSTFYSA-N 0 3 511.666 4.762 50 0 KJAAHN Cc1cccc([C@H]2c3cc(O[C@@H](C)C(=O)NCCN4CCCC4)ccc3CCN2C(=O)c2ccccc2)c1 ZINC000034708183 553994232 /nfs/dbraw/zinc/99/42/32/553994232.db2.gz DTMLCCRFXKVCIZ-NGQVCNFZSA-N 0 3 511.666 4.762 50 0 KJAAHN Cc1cccc([C@@H]2c3cc(O[C@H](C)C(=O)NCCN4CCCC4)ccc3CCN2C(=O)c2ccccc2)c1 ZINC000034708184 553994258 /nfs/dbraw/zinc/99/42/58/553994258.db2.gz DTMLCCRFXKVCIZ-AYWVHJORSA-N 0 3 511.666 4.762 50 0 KJAAHN Cc1cccc([C@H]2c3cc(O[C@H](C)C(=O)NCCN4CCCC4)ccc3CCN2C(=O)c2ccccc2)c1 ZINC000034708185 553994295 /nfs/dbraw/zinc/99/42/95/553994295.db2.gz DTMLCCRFXKVCIZ-HLADLETHSA-N 0 3 511.666 4.762 50 0 KJAAHN Cc1cccc([C@@H]2c3cc(O[C@@H](C)C(=O)NCCN4CCCC4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000034717063 553995667 /nfs/dbraw/zinc/99/56/67/553995667.db2.gz OYPBILDIBJNNMZ-MUAVYFROSA-N 0 3 503.687 4.639 50 0 KJAAHN Cc1cccc([C@H]2c3cc(O[C@@H](C)C(=O)NCCN4CCCC4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000034717064 553995895 /nfs/dbraw/zinc/99/58/95/553995895.db2.gz OYPBILDIBJNNMZ-IADCTJSHSA-N 0 3 503.687 4.639 50 0 KJAAHN Cc1cccc([C@@H]2c3cc(O[C@H](C)C(=O)NCCN4CCCC4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000034717065 553995862 /nfs/dbraw/zinc/99/58/62/553995862.db2.gz OYPBILDIBJNNMZ-RNWIMVQKSA-N 0 3 503.687 4.639 50 0 KJAAHN Cc1cccc([C@H]2c3cc(O[C@H](C)C(=O)NCCN4CCCC4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000034717066 553995857 /nfs/dbraw/zinc/99/58/57/553995857.db2.gz OYPBILDIBJNNMZ-BTYSJIOQSA-N 0 3 503.687 4.639 50 0 KJAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)c(C2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000034723977 553996374 /nfs/dbraw/zinc/99/63/74/553996374.db2.gz MTANFDCNNGUNCK-UHFFFAOYSA-N 0 3 502.634 4.753 50 0 KJAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)c(C2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000034723981 553996389 /nfs/dbraw/zinc/99/63/89/553996389.db2.gz ODNFOXSKKZETRO-UHFFFAOYSA-N 0 3 502.634 4.753 50 0 KJAAHN COc1cccc(C(=O)N2CCC(c3nc(C)ccc3C(=O)N(CCN(C)C)Cc3ccccc3)CC2)c1 ZINC000034723992 553996361 /nfs/dbraw/zinc/99/63/61/553996361.db2.gz DUNMYHROUAFBQZ-UHFFFAOYSA-N 0 3 514.670 4.622 50 0 KJAAHN COc1ccc(CN2CCC(c3nc(C)ccc3C(=O)NCCc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000034725490 553996750 /nfs/dbraw/zinc/99/67/50/553996750.db2.gz QSCIZUCIFVCCNA-UHFFFAOYSA-N 0 3 503.643 4.768 50 0 KJAAHN COc1ccccc1CN1CCC(c2nc(C)ccc2C(=O)NCCc2ccc(OC)c(OC)c2)CC1 ZINC000034725498 553996671 /nfs/dbraw/zinc/99/66/71/553996671.db2.gz KFPDFMLCVPHVJX-UHFFFAOYSA-N 0 3 503.643 4.768 50 0 KJAAHN COc1cc(CN2CCC(c3nc(C)ccc3C(=O)N(CCN(C)C)Cc3ccccc3)CC2)cc(OC)c1 ZINC000034725586 553996776 /nfs/dbraw/zinc/99/67/76/553996776.db2.gz UVMWEYSJJAHZLS-UHFFFAOYSA-N 0 3 530.713 4.991 50 0 KJAAHN COc1cccc(CN2CCC(c3nc(C)ccc3C(=O)N(CCN(C)C)Cc3ccccc3)CC2)c1OC ZINC000034725592 553996763 /nfs/dbraw/zinc/99/67/63/553996763.db2.gz MFSUOTRCKXTDSD-UHFFFAOYSA-N 0 3 530.713 4.991 50 0 KJAAHN COc1ccc(CN2CCC(c3nc(C)ccc3C(=O)N3CCN(c4cccc(OC)c4)CC3)CC2)cc1 ZINC000034725880 553996629 /nfs/dbraw/zinc/99/66/29/553996629.db2.gz LTTBWWOXSGHBKD-UHFFFAOYSA-N 0 3 514.670 4.749 50 0 KJAAHN COc1cccc(N2CCN(C(=O)c3ccc(C)nc3C3CCN(Cc4ccccc4OC)CC3)CC2)c1 ZINC000034725884 553996619 /nfs/dbraw/zinc/99/66/19/553996619.db2.gz ZCAPKOPMMZRRLO-UHFFFAOYSA-N 0 3 514.670 4.749 50 0 KJAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)c(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1 ZINC000034729564 553997018 /nfs/dbraw/zinc/99/70/18/553997018.db2.gz FDXKMSOZFCLFRB-UHFFFAOYSA-N 0 3 520.624 4.892 50 0 KJAAHN COc1cccc(CC(=O)N2CCC(c3nc(C)ccc3C(=O)N(CCN(C)C)Cc3ccccc3)CC2)c1 ZINC000034729568 553997115 /nfs/dbraw/zinc/99/71/15/553997115.db2.gz BJGADOHVGJTBMC-UHFFFAOYSA-N 0 3 528.697 4.551 50 0 KJAAHN COc1cccc(CN2CCC(c3nc(C)ccc3C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c1 ZINC000034729890 553997316 /nfs/dbraw/zinc/99/73/16/553997316.db2.gz YVQIHXBWVBBOMO-UHFFFAOYSA-N 0 3 503.643 4.768 50 0 KJAAHN COc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(N)c2NC(=O)NCCN2CCCCC2)cc1 ZINC000034785980 554004006 /nfs/dbraw/zinc/00/40/06/554004006.db2.gz SITVAHRETAXPBZ-UHFFFAOYSA-N 0 3 502.541 4.756 50 0 KJAAHN O=C(CCN1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830068 554014461 /nfs/dbraw/zinc/01/44/61/554014461.db2.gz SOPMDKDFKHWNTO-GDLZYMKVSA-N 0 3 505.659 4.528 50 0 KJAAHN O=C(CCN1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830069 554014513 /nfs/dbraw/zinc/01/45/13/554014513.db2.gz SOPMDKDFKHWNTO-LJAQVGFWSA-N 0 3 505.659 4.528 50 0 KJAAHN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034830118 554014469 /nfs/dbraw/zinc/01/44/69/554014469.db2.gz QBCOHNWRCKPACX-PBBNMVCDSA-N 0 3 505.659 4.527 50 0 KJAAHN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000034830119 554014356 /nfs/dbraw/zinc/01/43/56/554014356.db2.gz QBCOHNWRCKPACX-LGGPFLRQSA-N 0 3 505.659 4.527 50 0 KJAAHN Cc1ccc([C@@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)Cc3cccs3)[C@H](C)C2)cc1 ZINC000034830166 554014748 /nfs/dbraw/zinc/01/47/48/554014748.db2.gz CTEHXRQEQQCVBJ-LYZGTLIUSA-N 0 3 507.725 4.758 50 0 KJAAHN Cc1ccc([C@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)Cc3cccs3)[C@H](C)C2)cc1 ZINC000034830167 554014778 /nfs/dbraw/zinc/01/47/78/554014778.db2.gz CTEHXRQEQQCVBJ-PIKZIKFNSA-N 0 3 507.725 4.758 50 0 KJAAHN Cc1ccc([C@@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)cc1 ZINC000034830180 554014914 /nfs/dbraw/zinc/01/49/14/554014914.db2.gz WZYVGEXOYLSODU-WBBHLRKXSA-N 0 3 531.722 4.670 50 0 KJAAHN Cc1ccc([C@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)cc1 ZINC000034830181 554014829 /nfs/dbraw/zinc/01/48/29/554014829.db2.gz WZYVGEXOYLSODU-XJFCNFDWSA-N 0 3 531.722 4.670 50 0 KJAAHN Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034830240 554014869 /nfs/dbraw/zinc/01/48/69/554014869.db2.gz FQRGDIJTEPTLQR-MUUNZHRXSA-N 0 3 507.725 4.759 50 0 KJAAHN Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034830241 554014758 /nfs/dbraw/zinc/01/47/58/554014758.db2.gz FQRGDIJTEPTLQR-NDEPHWFRSA-N 0 3 507.725 4.759 50 0 KJAAHN Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000034830244 554014788 /nfs/dbraw/zinc/01/47/88/554014788.db2.gz ROERCUKCFNFXPG-SSEXGKCCSA-N 0 3 517.695 4.534 50 0 KJAAHN Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000034830245 554014906 /nfs/dbraw/zinc/01/49/06/554014906.db2.gz ROERCUKCFNFXPG-PMERELPUSA-N 0 3 517.695 4.534 50 0 KJAAHN Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830252 554015185 /nfs/dbraw/zinc/01/51/85/554015185.db2.gz DDYSKUAQZWGPOI-SSEXGKCCSA-N 0 3 519.686 4.837 50 0 KJAAHN Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830253 554015383 /nfs/dbraw/zinc/01/53/83/554015383.db2.gz DDYSKUAQZWGPOI-PMERELPUSA-N 0 3 519.686 4.837 50 0 KJAAHN Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCN(C(=O)COc2ccccc2)[C@H](C)C1 ZINC000034830272 554015237 /nfs/dbraw/zinc/01/52/37/554015237.db2.gz OQAOFUTVSOTAKC-WVXBCFDCSA-N 0 3 517.695 4.532 50 0 KJAAHN Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCN(C(=O)COc2ccccc2)[C@H](C)C1 ZINC000034830273 554015325 /nfs/dbraw/zinc/01/53/25/554015325.db2.gz OQAOFUTVSOTAKC-DJUQAAIZSA-N 0 3 517.695 4.532 50 0 KJAAHN O=C(CCc1ccccc1)N(CCN1CCCC1)CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1 ZINC000034902426 554025163 /nfs/dbraw/zinc/02/51/63/554025163.db2.gz RZZHQZADDWKZNE-UHFFFAOYSA-N 0 3 507.675 4.973 50 0 KJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000034920603 554031383 /nfs/dbraw/zinc/03/13/83/554031383.db2.gz GKYPSTWIHLMYES-VWLOTQADSA-N 0 3 529.603 4.988 50 0 KJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000034920605 554031294 /nfs/dbraw/zinc/03/12/94/554031294.db2.gz GKYPSTWIHLMYES-RUZDIDTESA-N 0 3 529.603 4.988 50 0 KJAAHN COc1cccc(-c2cc(C(=O)N(CCC(=O)NC3CCN(Cc4ccccc4)CC3)CC(C)C)no2)c1 ZINC000034922627 554032142 /nfs/dbraw/zinc/03/21/42/554032142.db2.gz DGXKPDDUBZMYKQ-UHFFFAOYSA-N 0 3 518.658 4.619 50 0 KJAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCCC2)C(=O)Cc2ccccc2)s1 ZINC000035085128 554034439 /nfs/dbraw/zinc/03/44/39/554034439.db2.gz RQYHWWPMZWSUQV-UHFFFAOYSA-N 0 3 507.675 4.892 50 0 KJAAHN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCC2)C(=O)CCc2ccccc2)o1 ZINC000035104147 554034657 /nfs/dbraw/zinc/03/46/57/554034657.db2.gz QZBFJHNTUZHQPF-UHFFFAOYSA-N 0 3 501.671 4.717 50 0 KJAAHN CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(C)cc4c32)c1 ZINC000035310420 554043121 /nfs/dbraw/zinc/04/31/21/554043121.db2.gz WKDACQVEJIVHMZ-UHFFFAOYSA-N 0 3 504.656 4.618 50 0 investigational KJAAHN O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000035314025 554043140 /nfs/dbraw/zinc/04/31/40/554043140.db2.gz YRXCQVSZBQCCJW-UHFFFAOYSA-N 0 3 503.668 4.783 50 0 KJAAHN Cc1ccc(Sc2ccc(N3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)nn2)cc1 ZINC000035399594 554048034 /nfs/dbraw/zinc/04/80/34/554048034.db2.gz SCGQHIGKKJTTIC-UHFFFAOYSA-N 0 3 501.700 4.933 50 0 KJAAHN Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@@H](C)C(=O)NCCN5CCCCC5)CC4)ccc3o2)cc1 ZINC000035454631 554055830 /nfs/dbraw/zinc/05/58/30/554055830.db2.gz XHCLBGDHVWYXIE-JOCHJYFZSA-N 0 3 502.659 4.894 50 0 KJAAHN Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@H](C)C(=O)NCCN5CCCCC5)CC4)ccc3o2)cc1 ZINC000035454634 554055759 /nfs/dbraw/zinc/05/57/59/554055759.db2.gz XHCLBGDHVWYXIE-QFIPXVFZSA-N 0 3 502.659 4.894 50 0 KJAAHN O=C(Cc1ccc(F)cc1)N(CCN1CCCC1)CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1 ZINC000035771158 554073322 /nfs/dbraw/zinc/07/33/22/554073322.db2.gz BNRSQEVXVVTRIF-UHFFFAOYSA-N 0 3 511.638 4.722 50 0 KJAAHN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CCN1CCCC1)C(=O)Cc1cccs1 ZINC000035774007 554073652 /nfs/dbraw/zinc/07/36/52/554073652.db2.gz DADVXZKIVAWURG-UHFFFAOYSA-N 0 3 513.704 4.953 50 0 KJAAHN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)C[C@@H](O)C(C)C ZINC000035842570 554080952 /nfs/dbraw/zinc/08/09/52/554080952.db2.gz GYNKCUIGPDZAIS-HHHXNRCGSA-N 0 3 500.083 4.748 50 0 KJAAHN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)C[C@H](O)C(C)C ZINC000035842572 554080944 /nfs/dbraw/zinc/08/09/44/554080944.db2.gz GYNKCUIGPDZAIS-MHZLTWQESA-N 0 3 500.083 4.748 50 0 KJAAHN O=C(c1cccs1)[C@@H]1C(C(=O)c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000035843269 554082033 /nfs/dbraw/zinc/08/20/33/554082033.db2.gz PGKSFOBXHNEJOC-YRIIQKNPSA-N 0 3 503.583 4.999 50 0 KJAAHN O=C(c1ccccn1)C1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000035843270 554082130 /nfs/dbraw/zinc/08/21/30/554082130.db2.gz PGKSFOBXHNEJOC-CPBHOCDRSA-N 0 3 503.583 4.999 50 0 KJAAHN O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@H]12 ZINC000035871469 554085740 /nfs/dbraw/zinc/08/57/40/554085740.db2.gz SYROLYWEHCVWLN-IXCJQBJRSA-N 0 3 507.600 4.970 50 0 KJAAHN O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@H]12 ZINC000035871470 554086261 /nfs/dbraw/zinc/08/62/61/554086261.db2.gz SYROLYWEHCVWLN-XTEPFMGCSA-N 0 3 507.600 4.970 50 0 KJAAHN O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@H]12 ZINC000035871577 554086160 /nfs/dbraw/zinc/08/61/60/554086160.db2.gz JCIMJTRACYBVAQ-IXCJQBJRSA-N 0 3 523.599 4.806 50 0 KJAAHN O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@H]12 ZINC000035871578 554086099 /nfs/dbraw/zinc/08/60/99/554086099.db2.gz JCIMJTRACYBVAQ-XTEPFMGCSA-N 0 3 523.599 4.806 50 0 KJAAHN O=C(NC1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@@H]12 ZINC000035908101 554092480 /nfs/dbraw/zinc/09/24/80/554092480.db2.gz LPDJEUBNJJYJDW-AHWVRZQESA-N 0 3 501.593 4.896 50 0 KJAAHN O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@@H]12 ZINC000035908104 554092301 /nfs/dbraw/zinc/09/23/01/554092301.db2.gz FEQBREXZEAPRIC-BDYUSTAISA-N 0 3 527.562 4.903 50 0 KJAAHN O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@@H]12 ZINC000035908106 554092375 /nfs/dbraw/zinc/09/23/75/554092375.db2.gz DZTFKAWHGUYVKI-AHWVRZQESA-N 0 3 529.628 4.868 50 0 KJAAHN Nc1c2c(nn1Cc1ccccc1)nc(N1CCN(CCc3ccccc3)CC1)nc2-c1ccc(F)cc1 ZINC000035929937 554101717 /nfs/dbraw/zinc/10/17/17/554101717.db2.gz MOBYYPNHSVEATI-UHFFFAOYSA-N 0 3 507.617 4.628 50 0 KJAAHN CC[C@@H](C)[C@H]1NC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000036027910 554141033 /nfs/dbraw/zinc/14/10/33/554141033.db2.gz JNDRGNJVHSEGIL-UFHPHHKVSA-N 0 3 517.718 4.830 50 0 KJAAHN CC[C@H](C)[C@H]1NC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000036027911 554141159 /nfs/dbraw/zinc/14/11/59/554141159.db2.gz JNDRGNJVHSEGIL-RBJSKKJNSA-N 0 3 517.718 4.830 50 0 KJAAHN CC[C@@H](C)[C@@H]1NC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000036027912 554141173 /nfs/dbraw/zinc/14/11/73/554141173.db2.gz JNDRGNJVHSEGIL-YWEHKCAJSA-N 0 3 517.718 4.830 50 0 KJAAHN CC[C@H](C)[C@@H]1NC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000036027913 554141198 /nfs/dbraw/zinc/14/11/98/554141198.db2.gz JNDRGNJVHSEGIL-CUBQBAPOSA-N 0 3 517.718 4.830 50 0 KJAAHN CC[C@@H](C)[C@H]1NC2(CCN(C(=O)Nc3ccccc3OC)CC2)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000036027914 554141218 /nfs/dbraw/zinc/14/12/18/554141218.db2.gz PABKCPDNRAQSFG-QDPGVEIFSA-N 0 3 533.717 4.530 50 0 KJAAHN CC[C@H](C)[C@H]1NC2(CCN(C(=O)Nc3ccccc3OC)CC2)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000036027915 554141429 /nfs/dbraw/zinc/14/14/29/554141429.db2.gz PABKCPDNRAQSFG-NEKDWFFYSA-N 0 3 533.717 4.530 50 0 KJAAHN CC[C@@H](C)[C@@H]1NC2(CCN(C(=O)Nc3ccccc3OC)CC2)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000036027916 554141417 /nfs/dbraw/zinc/14/14/17/554141417.db2.gz PABKCPDNRAQSFG-LXFBAYGMSA-N 0 3 533.717 4.530 50 0 KJAAHN CC[C@H](C)[C@@H]1NC2(CCN(C(=O)Nc3ccccc3OC)CC2)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000036027917 554141399 /nfs/dbraw/zinc/14/13/99/554141399.db2.gz PABKCPDNRAQSFG-FIPFOOKPSA-N 0 3 533.717 4.530 50 0 KJAAHN CC[C@@H](C)[C@H]1NC2(CCN(C(=S)Nc3cccc(C)c3)CC2)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000036028050 554141480 /nfs/dbraw/zinc/14/14/80/554141480.db2.gz GTCWYRVCLZXQMD-UFHPHHKVSA-N 0 3 533.786 4.995 50 0 KJAAHN CC[C@H](C)[C@H]1NC2(CCN(C(=S)Nc3cccc(C)c3)CC2)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000036028051 554141355 /nfs/dbraw/zinc/14/13/55/554141355.db2.gz GTCWYRVCLZXQMD-RBJSKKJNSA-N 0 3 533.786 4.995 50 0 KJAAHN CC[C@@H](C)[C@@H]1NC2(CCN(C(=S)Nc3cccc(C)c3)CC2)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000036028052 554141364 /nfs/dbraw/zinc/14/13/64/554141364.db2.gz GTCWYRVCLZXQMD-YWEHKCAJSA-N 0 3 533.786 4.995 50 0 KJAAHN CC[C@H](C)[C@@H]1NC2(CCN(C(=S)Nc3cccc(C)c3)CC2)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000036028053 554141558 /nfs/dbraw/zinc/14/15/58/554141558.db2.gz GTCWYRVCLZXQMD-CUBQBAPOSA-N 0 3 533.786 4.995 50 0 KJAAHN COc1cccc(C(=O)N(CCN(C)C)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C)c(F)c2)c1 ZINC000036052141 554158244 /nfs/dbraw/zinc/15/82/44/554158244.db2.gz MUOUFEDBAHZEBU-UHFFFAOYSA-N 0 3 529.616 4.638 50 0 KJAAHN CC(C)C(=O)N(CCN(C)C)CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1 ZINC000036055552 554159328 /nfs/dbraw/zinc/15/93/28/554159328.db2.gz GZWIOKGYOLKXOR-UHFFFAOYSA-N 0 3 501.553 4.543 50 0 KJAAHN COc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN(C)C)C(=O)CC(C)C)cc1 ZINC000036060991 554160836 /nfs/dbraw/zinc/16/08/36/554160836.db2.gz ODAQDMXSXWXXHK-UHFFFAOYSA-N 0 3 512.054 4.576 50 0 KJAAHN CN(C)CCNC(=O)c1cccc(Nc2c(Oc3ccc(Cl)cc3)cnn(-c3ccccc3)c2=O)c1 ZINC000036061555 554161566 /nfs/dbraw/zinc/16/15/66/554161566.db2.gz JCNGFIGBQVCOOF-UHFFFAOYSA-N 0 3 503.990 4.713 50 0 KJAAHN CCOc1ccc(CN(Cc2nc(C(=O)NCCN(C)C)co2)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000036065354 554164282 /nfs/dbraw/zinc/16/42/82/554164282.db2.gz ISGROKUCUAHPEU-UHFFFAOYSA-N 0 3 504.553 4.586 50 0 KJAAHN CN(C)CCNC(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2cccc(Oc3ccccc3)c2)n1 ZINC000036065801 554165027 /nfs/dbraw/zinc/16/50/27/554165027.db2.gz PKEYMOHEQVFOAO-UHFFFAOYSA-N 0 3 528.609 4.689 50 0 KJAAHN CN(C)CCNC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000036072178 554169652 /nfs/dbraw/zinc/16/96/52/554169652.db2.gz MRXPAMPFGMOAAP-UHFFFAOYSA-N 0 3 513.564 4.711 50 0 KJAAHN CN(C)CCNC(=O)c1ccc(Nc2c(Oc3ccccc3)cnn(-c3ccccc3Cl)c2=O)cc1 ZINC000036084845 554175687 /nfs/dbraw/zinc/17/56/87/554175687.db2.gz FSVDGWQOLZWWAZ-UHFFFAOYSA-N 0 3 503.990 4.713 50 0 KJAAHN COc1ccc(-n2ncc(Oc3cccc(C)c3C)c(Nc3cccc(C(=O)NCCN(C)C)c3)c2=O)cc1 ZINC000036094152 554178233 /nfs/dbraw/zinc/17/82/33/554178233.db2.gz KNGGKDBBNSKHHZ-UHFFFAOYSA-N 0 3 527.625 4.685 50 0 KJAAHN COc1ccc(-n2ncc(Oc3cccc(C)c3C)c(Nc3ccc(C(=O)NCCN(C)C)cc3)c2=O)cc1 ZINC000036094157 554178145 /nfs/dbraw/zinc/17/81/45/554178145.db2.gz MXCWNNNZOCDOOD-UHFFFAOYSA-N 0 3 527.625 4.685 50 0 KJAAHN Cc1ccc(Oc2cnn(-c3ccc(F)cc3)c(=O)c2Nc2cccc(C(=O)NCCN(C)C)c2)cc1 ZINC000036094578 554178404 /nfs/dbraw/zinc/17/84/04/554178404.db2.gz DKAZGJVJINVMQM-UHFFFAOYSA-N 0 3 501.562 4.507 50 0 KJAAHN O=C(CN(CCN1CCCC1)C(=O)C1CCCC1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121295 554191257 /nfs/dbraw/zinc/19/12/57/554191257.db2.gz YLQHUOBDNFYXIH-RUZDIDTESA-N 0 3 513.679 4.507 50 0 KJAAHN O=C(CN(CCN1CCCC1)C(=O)C1CCCC1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121296 554191341 /nfs/dbraw/zinc/19/13/41/554191341.db2.gz YLQHUOBDNFYXIH-VWLOTQADSA-N 0 3 513.679 4.507 50 0 KJAAHN CCNC(=O)N(CCN1CCCC1)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1 ZINC000036122160 554193354 /nfs/dbraw/zinc/19/33/54/554193354.db2.gz YLCULVAMBFSYOG-VWLOTQADSA-N 0 3 512.720 4.504 50 0 KJAAHN CCNC(=O)N(CCN1CCCC1)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1 ZINC000036122161 554193293 /nfs/dbraw/zinc/19/32/93/554193293.db2.gz YLCULVAMBFSYOG-RUZDIDTESA-N 0 3 512.720 4.504 50 0 KJAAHN CC(C)NC(=O)N(CCN1CCCC1)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1 ZINC000036122162 554193236 /nfs/dbraw/zinc/19/32/36/554193236.db2.gz YAJQAWSGFUSKJD-AREMUKBSSA-N 0 3 526.747 4.892 50 0 KJAAHN CC(C)NC(=O)N(CCN1CCCC1)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1 ZINC000036122163 554193370 /nfs/dbraw/zinc/19/33/70/554193370.db2.gz YAJQAWSGFUSKJD-SANMLTNESA-N 0 3 526.747 4.892 50 0 KJAAHN CCCC(=O)OC[C@H](O)CN(CCCOC)Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1 ZINC000036249926 554210248 /nfs/dbraw/zinc/21/02/48/554210248.db2.gz SRODCEAOWIUOGY-XMMPIXPASA-N 0 3 501.668 4.653 50 0 KJAAHN CCCC(=O)OC[C@@H](O)CN(CCCOC)Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1 ZINC000036249927 554210266 /nfs/dbraw/zinc/21/02/66/554210266.db2.gz SRODCEAOWIUOGY-DEOSSOPVSA-N 0 3 501.668 4.653 50 0 KJAAHN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H](O)Cc2ccccc2)CC2CC2)cc1 ZINC000036309555 554217242 /nfs/dbraw/zinc/21/72/42/554217242.db2.gz ARXQAXLPXMCSPH-LEAFIULHSA-N 0 3 504.696 4.877 50 0 KJAAHN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H](O)Cc2ccccc2)CC2CC2)cc1 ZINC000036309556 554217272 /nfs/dbraw/zinc/21/72/72/554217272.db2.gz ARXQAXLPXMCSPH-NAKRPHOHSA-N 0 3 504.696 4.877 50 0 KJAAHN Cc1nc(-c2ccccc2)nc(N2CCN(C[C@H](O)CN3CCCCC3)CC2)c1Cc1ccc(Cl)cc1 ZINC000036340288 554220124 /nfs/dbraw/zinc/22/01/24/554220124.db2.gz INRMOTAOFGDPAK-HHHXNRCGSA-N 0 3 520.121 4.665 50 0 KJAAHN Cc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](O)CN3CCCCC3)CC2)c1Cc1ccc(Cl)cc1 ZINC000036340289 554220063 /nfs/dbraw/zinc/22/00/63/554220063.db2.gz INRMOTAOFGDPAK-MHZLTWQESA-N 0 3 520.121 4.665 50 0 KJAAHN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000036369554 554224339 /nfs/dbraw/zinc/22/43/39/554224339.db2.gz XESODQRWBFMKEB-CYIYBOQLSA-N 0 3 500.683 4.679 50 0 biogenic KJAAHN CCOc1cc(CNCCc2ccccc2)c(Br)cc1OCC(=O)NCCc1ccccc1 ZINC000036611728 554225705 /nfs/dbraw/zinc/22/57/05/554225705.db2.gz AHMOJMBVSPRRAU-UHFFFAOYSA-N 0 3 511.460 4.918 50 0 KJAAHN CN(C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1)C1CCN(C)CC1 ZINC000037277239 554233062 /nfs/dbraw/zinc/23/30/62/554233062.db2.gz OWDHWDLZMIXTDM-UHFFFAOYSA-N 0 3 503.474 4.558 50 0 KJAAHN CN(C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1)C1CCN(C)CC1 ZINC000037277244 554233038 /nfs/dbraw/zinc/23/30/38/554233038.db2.gz KBACBOASSSRYJN-UHFFFAOYSA-N 0 3 503.474 4.558 50 0 KJAAHN COc1cccc(C(=O)N(Cc2ccc(F)cc2)c2cccc(CC(=O)NCCN3CCCCC3)c2)c1 ZINC000037280331 554233673 /nfs/dbraw/zinc/23/36/73/554233673.db2.gz LKSVZIDLVGNYCG-UHFFFAOYSA-N 0 3 503.618 4.826 50 0 KJAAHN Cc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCN(C4CCCCCC4)CC3)CC2)cc1 ZINC000037288635 554234673 /nfs/dbraw/zinc/23/46/73/554234673.db2.gz YLHWIIFELNFTGF-UHFFFAOYSA-N 0 3 502.703 4.874 50 0 KJAAHN COc1ccc(-c2nc(NCCN3CCCCC3)nc3nn(-c4ccc(Cl)cc4)c(N)c32)cc1OC ZINC000037358507 554234787 /nfs/dbraw/zinc/23/47/87/554234787.db2.gz MFQWJSPFMCXINV-UHFFFAOYSA-N 0 3 508.026 4.633 50 0 KJAAHN Cn1nc2nc(N3CCN(CCc4ccccc4)CC3)nc(-c3cccc(Oc4ccccc4)c3)c2c1N ZINC000037375644 554235062 /nfs/dbraw/zinc/23/50/62/554235062.db2.gz JTACKWUYYFNXFS-UHFFFAOYSA-N 0 3 505.626 4.770 50 0 KJAAHN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2ccccc2C)c1 ZINC000037426671 554246120 /nfs/dbraw/zinc/24/61/20/554246120.db2.gz LIUVNJOWTLDDPQ-MHZLTWQESA-N 0 3 533.742 4.634 50 0 KJAAHN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2ccccc2C)c1 ZINC000037426672 554246112 /nfs/dbraw/zinc/24/61/12/554246112.db2.gz LIUVNJOWTLDDPQ-HHHXNRCGSA-N 0 3 533.742 4.634 50 0 KJAAHN Cc1cccc([C@H]2SCC(=O)N(CC(=O)NCCN(C)C)c3c2c(C(C)(C)C)nn3-c2cccc(C)c2)c1 ZINC000037427443 554246686 /nfs/dbraw/zinc/24/66/86/554246686.db2.gz BTYDZIWTTSUPSR-HHHXNRCGSA-N 0 3 533.742 4.634 50 0 KJAAHN Cc1cccc([C@@H]2SCC(=O)N(CC(=O)NCCN(C)C)c3c2c(C(C)(C)C)nn3-c2cccc(C)c2)c1 ZINC000037427444 554246750 /nfs/dbraw/zinc/24/67/50/554246750.db2.gz BTYDZIWTTSUPSR-MHZLTWQESA-N 0 3 533.742 4.634 50 0 KJAAHN Cc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(Cc2ccccc2C(=O)NCCN(C)C)c1C ZINC000037427874 554247392 /nfs/dbraw/zinc/24/73/92/554247392.db2.gz MYICKMCQQYQKLD-COOPMVRXSA-N 0 3 505.471 4.554 50 0 KJAAHN Cc1s/c(=N\C(=O)c2ccc(Cl)c(Cl)c2)n(Cc2cccc(C(=O)NCCN(C)C)c2)c1C ZINC000037435773 554247798 /nfs/dbraw/zinc/24/77/98/554247798.db2.gz SAOKLUNDDCNFCZ-COOPMVRXSA-N 0 3 505.471 4.554 50 0 KJAAHN O=C(NCCN1CCCCC1)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000037524047 554249989 /nfs/dbraw/zinc/24/99/89/554249989.db2.gz KFUGOPGCQKYDIK-UHFFFAOYSA-N 0 3 503.474 4.608 50 0 KJAAHN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1)c1ccc(F)cc1 ZINC000037524923 554250267 /nfs/dbraw/zinc/25/02/67/554250267.db2.gz HSFXXLJYKWLVGD-UHFFFAOYSA-N 0 3 506.666 4.705 50 0 KJAAHN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1)c1ccccc1F ZINC000037524925 554250261 /nfs/dbraw/zinc/25/02/61/554250261.db2.gz GNRKQRUIUXPEBN-UHFFFAOYSA-N 0 3 506.666 4.705 50 0 KJAAHN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1)c1ccc(F)cc1F ZINC000037525292 554250572 /nfs/dbraw/zinc/25/05/72/554250572.db2.gz FURAVNIWBNFOQC-UHFFFAOYSA-N 0 3 524.656 4.844 50 0 KJAAHN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1)c1cc(F)cc(F)c1 ZINC000037525293 554250589 /nfs/dbraw/zinc/25/05/89/554250589.db2.gz OKFNLRMKFYASBZ-UHFFFAOYSA-N 0 3 524.656 4.844 50 0 KJAAHN O=C(CCc1ccccc1)NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1 ZINC000037525647 554250601 /nfs/dbraw/zinc/25/06/01/554250601.db2.gz QJAMQRLIYMHIQG-UHFFFAOYSA-N 0 3 516.730 4.885 50 0 KJAAHN COc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCN(C4CCCCCC4)CC3)CC2)cc1 ZINC000037525649 554250673 /nfs/dbraw/zinc/25/06/73/554250673.db2.gz JWINCFSTYANLSV-UHFFFAOYSA-N 0 3 518.702 4.575 50 0 KJAAHN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1)c1cccc(F)c1 ZINC000037525651 554250616 /nfs/dbraw/zinc/25/06/16/554250616.db2.gz DUZFJSOTOGRUEY-UHFFFAOYSA-N 0 3 506.666 4.705 50 0 KJAAHN Cc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1 ZINC000037525652 554250561 /nfs/dbraw/zinc/25/05/61/554250561.db2.gz MDOQTSKESFJHRR-UHFFFAOYSA-N 0 3 502.703 4.874 50 0 KJAAHN Cc1cccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCN(C4CCCCCC4)CC3)CC2)c1 ZINC000037525654 554250664 /nfs/dbraw/zinc/25/06/64/554250664.db2.gz BKKOUEHGOVDNQU-UHFFFAOYSA-N 0 3 502.703 4.874 50 0 KJAAHN CC(C)C(=O)N1CCc2ccc(OCc3nc(C(=O)NCCN4CCCC4)cs3)cc2[C@@H]1c1ccccc1 ZINC000037602371 554254098 /nfs/dbraw/zinc/25/40/98/554254098.db2.gz CSEUDZRKOVUYIN-NDEPHWFRSA-N 0 3 532.710 4.678 50 0 KJAAHN CC(C)C(=O)N1CCc2ccc(OCc3nc(C(=O)NCCN4CCCC4)cs3)cc2[C@H]1c1ccccc1 ZINC000037602372 554253999 /nfs/dbraw/zinc/25/39/99/554253999.db2.gz CSEUDZRKOVUYIN-MUUNZHRXSA-N 0 3 532.710 4.678 50 0 KJAAHN CC(C)CC(=O)N1CCc2ccc(OCc3nc(C(=O)NCCN(C)C)cs3)cc2[C@@H]1c1ccccc1 ZINC000037602421 554253957 /nfs/dbraw/zinc/25/39/57/554253957.db2.gz GULVFIJLGZLKRC-NDEPHWFRSA-N 0 3 520.699 4.534 50 0 KJAAHN CC(C)CC(=O)N1CCc2ccc(OCc3nc(C(=O)NCCN(C)C)cs3)cc2[C@H]1c1ccccc1 ZINC000037602422 554254020 /nfs/dbraw/zinc/25/40/20/554254020.db2.gz GULVFIJLGZLKRC-MUUNZHRXSA-N 0 3 520.699 4.534 50 0 KJAAHN CC(C)CC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCCN(C)C)o3)cc2[C@@H]1c1ccc(F)cc1 ZINC000037604743 554256182 /nfs/dbraw/zinc/25/61/82/554256182.db2.gz RMGAIIRJOLDELW-LJAQVGFWSA-N 0 3 521.633 4.809 50 0 KJAAHN CC(C)CC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCCN(C)C)o3)cc2[C@H]1c1ccc(F)cc1 ZINC000037604744 554256153 /nfs/dbraw/zinc/25/61/53/554256153.db2.gz RMGAIIRJOLDELW-GDLZYMKVSA-N 0 3 521.633 4.809 50 0 KJAAHN CC(C)CC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCCN(C)C)o3)cc2[C@@H]1c1cccc(F)c1 ZINC000037606317 554257272 /nfs/dbraw/zinc/25/72/72/554257272.db2.gz YMNPHIZKYKHORQ-LJAQVGFWSA-N 0 3 521.633 4.809 50 0 KJAAHN CC(C)CC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCCN(C)C)o3)cc2[C@H]1c1cccc(F)c1 ZINC000037606320 554257323 /nfs/dbraw/zinc/25/73/23/554257323.db2.gz YMNPHIZKYKHORQ-GDLZYMKVSA-N 0 3 521.633 4.809 50 0 KJAAHN Cc1ccc([C@@H]2c3cc(OCc4ccc(C(=O)NCCN(C)C)o4)ccc3CCN2C(=O)CC(C)C)cc1 ZINC000037606401 554257352 /nfs/dbraw/zinc/25/73/52/554257352.db2.gz NNOWCWURTIRUMD-SSEXGKCCSA-N 0 3 517.670 4.979 50 0 KJAAHN Cc1ccc([C@H]2c3cc(OCc4ccc(C(=O)NCCN(C)C)o4)ccc3CCN2C(=O)CC(C)C)cc1 ZINC000037606403 554257278 /nfs/dbraw/zinc/25/72/78/554257278.db2.gz NNOWCWURTIRUMD-PMERELPUSA-N 0 3 517.670 4.979 50 0 KJAAHN CCN1CCN(CCCNC(=O)c2ccc(/C=C3/Oc4ccccc4N(Cc4cccc(C)c4)C3=O)cc2)CC1 ZINC000038146945 554269816 /nfs/dbraw/zinc/26/98/16/554269816.db2.gz BBLGALJJIGEANG-UQRQXUALSA-N 0 3 538.692 4.719 50 0 KJAAHN COc1cc(CN[C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)cc(OC)c1 ZINC000039551399 554279684 /nfs/dbraw/zinc/27/96/84/554279684.db2.gz UGNLZYWOOQKVBI-CUBQBAPOSA-N 0 3 526.052 4.588 50 0 KJAAHN CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)c(F)c4)ccn3)CC2)CC1 ZINC000043195317 554297774 /nfs/dbraw/zinc/29/77/74/554297774.db2.gz UQRCJCNVNUFYDX-UHFFFAOYSA-N 0 3 633.700 4.753 50 0 investigational KJAAHN Nc1c2c(nn1-c1cccc(F)c1)nc(N1CCN(CCc3ccccc3)CC1)nc2-c1ccccc1F ZINC000044854624 554305624 /nfs/dbraw/zinc/30/56/24/554305624.db2.gz SNCKPIIQAOHTQZ-UHFFFAOYSA-N 0 3 511.580 4.708 50 0 KJAAHN O=C(NCCN1CCCCCC1)C1CCN(c2ccc(Sc3ccc(Br)cc3)nn2)CC1 ZINC000045921540 554314221 /nfs/dbraw/zinc/31/42/21/554314221.db2.gz PCTVSGFCLJYVGM-UHFFFAOYSA-N 0 3 518.525 4.599 50 0 KJAAHN Cn1c(CCN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000057264331 554353356 /nfs/dbraw/zinc/35/33/56/554353356.db2.gz ORLRHJOTZVBSTJ-UHFFFAOYSA-N 0 3 518.459 4.953 50 0 KJAAHN Cn1c(CCN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000057264364 554353472 /nfs/dbraw/zinc/35/34/72/554353472.db2.gz CKQZGLZKKIVQLJ-UHFFFAOYSA-N 0 3 504.034 4.609 50 0 KJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000059503787 554400144 /nfs/dbraw/zinc/40/01/44/554400144.db2.gz VAXANZMGJPBRLG-RUZDIDTESA-N 0 3 544.080 4.971 50 0 KJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000059503788 554400175 /nfs/dbraw/zinc/40/01/75/554400175.db2.gz VAXANZMGJPBRLG-VWLOTQADSA-N 0 3 544.080 4.971 50 0 KJAAHN O=C(CNCc1ccccc1)Nc1ccc(-c2nc3cc(NC(=O)CNCc4ccccc4)ccc3o2)cc1 ZINC000059520166 554403347 /nfs/dbraw/zinc/40/33/47/554403347.db2.gz BLHCWYOKRSSVIX-UHFFFAOYSA-N 0 3 519.605 4.951 50 0 KJAAHN Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccccc4Cl)C(=O)[C@H]32)cc1 ZINC000059523225 554404543 /nfs/dbraw/zinc/40/45/43/554404543.db2.gz URCPKWWDDFCQLJ-FKBYEOEOSA-N 0 3 524.802 4.671 50 0 KJAAHN O=C1c2cccc3cccc(c32)C(=O)N1CC1CCN(C[C@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000059873717 554456599 /nfs/dbraw/zinc/45/65/99/554456599.db2.gz HSEQQLZPNLGJNY-IBGZPJMESA-N 0 3 559.407 4.628 50 0 KJAAHN O=C1c2cccc3cccc(c32)C(=O)N1CC1CCN(C[C@@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000059873719 554456716 /nfs/dbraw/zinc/45/67/16/554456716.db2.gz HSEQQLZPNLGJNY-LJQANCHMSA-N 0 3 559.407 4.628 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2ccc(OC)cc2s1 ZINC000060209680 554503429 /nfs/dbraw/zinc/50/34/29/554503429.db2.gz FAYBNHPQHBGVOI-UHFFFAOYSA-N 0 3 544.743 4.858 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)c1nc2ccc(OC)cc2s1 ZINC000060209686 554503445 /nfs/dbraw/zinc/50/34/45/554503445.db2.gz NSCCSILAAIBZHX-OYRHEFFESA-N 0 3 558.770 4.960 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)c1nc2ccc(OC)cc2s1 ZINC000060209687 554503355 /nfs/dbraw/zinc/50/33/55/554503355.db2.gz NSCCSILAAIBZHX-SFTDATJTSA-N 0 3 558.770 4.960 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)c1nc2ccc(OC)cc2s1 ZINC000060209688 554503857 /nfs/dbraw/zinc/50/38/57/554503857.db2.gz NSCCSILAAIBZHX-NHCUHLMSSA-N 0 3 558.770 4.960 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2ccc(Br)cc2s1 ZINC000060209806 554503810 /nfs/dbraw/zinc/50/38/10/554503810.db2.gz GAWWYYVHEXLQDG-UHFFFAOYSA-N 0 3 565.559 4.832 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2c(cccc2OC)s1 ZINC000060209907 554503842 /nfs/dbraw/zinc/50/38/42/554503842.db2.gz JYSLZVYAFGVQJV-UHFFFAOYSA-N 0 3 544.743 4.858 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCCO2)cc1)c1nc2c(cccc2Cl)s1 ZINC000060210028 554503667 /nfs/dbraw/zinc/50/36/67/554503667.db2.gz IMADCLRDILVGLO-FQEVSTJZSA-N 0 3 565.161 4.738 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CCCO2)cc1)c1nc2c(cccc2Cl)s1 ZINC000060210029 554503704 /nfs/dbraw/zinc/50/37/04/554503704.db2.gz IMADCLRDILVGLO-HXUWFJFHSA-N 0 3 565.161 4.738 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000060210035 554503681 /nfs/dbraw/zinc/50/36/81/554503681.db2.gz ADWMAUJHNZPWOR-UHFFFAOYSA-N 0 3 558.726 4.578 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000060210059 554503922 /nfs/dbraw/zinc/50/39/22/554503922.db2.gz DASDFRGJQSBBHA-UHFFFAOYSA-N 0 3 580.732 4.834 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210073 554504132 /nfs/dbraw/zinc/50/41/32/554504132.db2.gz NCEDRTXFFMUTOY-UHFFFAOYSA-N 0 3 572.753 4.621 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210081 554503927 /nfs/dbraw/zinc/50/39/27/554503927.db2.gz VCMLCTCBSQXNFM-OYRHEFFESA-N 0 3 586.780 4.723 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210082 554503971 /nfs/dbraw/zinc/50/39/71/554503971.db2.gz VCMLCTCBSQXNFM-SFTDATJTSA-N 0 3 586.780 4.723 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210083 554504015 /nfs/dbraw/zinc/50/40/15/554504015.db2.gz VCMLCTCBSQXNFM-NHCUHLMSSA-N 0 3 586.780 4.723 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210090 554503919 /nfs/dbraw/zinc/50/39/19/554503919.db2.gz OTPKLCQVHQMUFI-FQEVSTJZSA-N 0 3 572.753 4.619 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210091 554504082 /nfs/dbraw/zinc/50/40/82/554504082.db2.gz OTPKLCQVHQMUFI-HXUWFJFHSA-N 0 3 572.753 4.619 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210099 554504150 /nfs/dbraw/zinc/50/41/50/554504150.db2.gz QCQFKAWCBCDHCG-UHFFFAOYSA-N 0 3 594.759 4.877 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2cc(OC)ccc2s1 ZINC000060210153 554503934 /nfs/dbraw/zinc/50/39/34/554503934.db2.gz WDEMENCOOUNRSI-UHFFFAOYSA-N 0 3 544.743 4.858 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2c(s1)c(OC)ccc2OC ZINC000060210320 554503963 /nfs/dbraw/zinc/50/39/63/554503963.db2.gz XBOZSUPTDMFXLV-UHFFFAOYSA-N 0 3 574.769 4.867 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1)c1nc2c(s1)c(OC)ccc2OC ZINC000060210338 554504516 /nfs/dbraw/zinc/50/45/16/554504516.db2.gz QMHJYLZZGSHLCF-FQEVSTJZSA-N 0 3 574.769 4.865 50 0 KJAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)c1nc2c(s1)c(OC)ccc2OC ZINC000060210339 554504507 /nfs/dbraw/zinc/50/45/07/554504507.db2.gz QMHJYLZZGSHLCF-HXUWFJFHSA-N 0 3 574.769 4.865 50 0 KJAAHN Cc1cccc2c1NC(=O)[C@]21N2CCC[C@H]2C(C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000061999375 554506311 /nfs/dbraw/zinc/50/63/11/554506311.db2.gz KIFGDSAGXGCPDB-JZMUPVMCSA-N 0 3 503.558 4.756 50 0 biogenic KJAAHN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(C)C)N[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000061999541 554506365 /nfs/dbraw/zinc/50/63/65/554506365.db2.gz NLTNHGAFDDAGFA-JCEJCQQGSA-N 0 3 506.828 4.921 50 0 biogenic KJAAHN CCc1ccc(-c2nc3sc(N(C)CC(=O)NCCN4CCCC[C@@H]4C)nn3c2NC(C)(C)C)cc1 ZINC000064438856 554510793 /nfs/dbraw/zinc/51/07/93/554510793.db2.gz ZOPHNQAKAFQNFV-IBGZPJMESA-N 0 3 511.740 4.657 50 0 KJAAHN Cc1ccc(-c2nc3sc(N(C)CC(=O)NCCN(C)Cc4ccccc4)nn3c2NC(C)(C)C)cc1 ZINC000064704137 554514639 /nfs/dbraw/zinc/51/46/39/554514639.db2.gz XCSIRUFEAUUMLS-UHFFFAOYSA-N 0 3 519.719 4.661 50 0 KJAAHN CN(CC(=O)N1CCN(C2CCCCC2)CC1)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704360 554514845 /nfs/dbraw/zinc/51/48/45/554514845.db2.gz UCLIQDCHWATWMO-UHFFFAOYSA-N 0 3 509.724 4.581 50 0 KJAAHN O=C(NCCN1CCCCCC1)c1ccc(CN2c3cc(-c4ccc(Cl)cc4)nn3CCC2=O)cc1 ZINC000064816843 554517750 /nfs/dbraw/zinc/51/77/50/554517750.db2.gz KBVGAXOUHPAUPN-UHFFFAOYSA-N 0 3 506.050 4.746 50 0 KJAAHN CCc1cc2c(cc1OC(=O)[C@H](N)Cc1ccc(O)cc1)oc([C@H](N)Cc1ccc(O)cc1)c(-c1nc(C)cs1)c2=O ZINC000070664754 553594958 /nfs/dbraw/zinc/59/49/58/553594958.db2.gz ACHXXXBSHHVADS-JWQCQUIFSA-N 0 3 585.682 4.916 50 0 biogenic KJAAHN COc1ccc(OC)c(C(=O)C2[C@@H](C(C)=O)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000070681053 553604846 /nfs/dbraw/zinc/60/48/46/553604846.db2.gz FEKAAKIJUOHKPI-KWYVSSJISA-N 0 3 508.574 4.574 50 0 biogenic KJAAHN COc1ccc(OC)c(C(=O)C2[C@@H](C(C)=O)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000070681162 553604979 /nfs/dbraw/zinc/60/49/79/553604979.db2.gz WULSXBKHHUWZIW-SVYISMGTSA-N 0 3 522.601 4.965 50 0 biogenic KJAAHN C[C@]12C(=O)N(c3cccc(C(=O)NC4CCN(Cc5ccccc5)CC4)c3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000070687714 553607316 /nfs/dbraw/zinc/60/73/16/553607316.db2.gz AMIBEVVVRJNAST-XIFFEERXSA-N 0 3 547.659 4.802 50 0 biogenic KJAAHN C[C@]12C(=O)N(c3ccccc3C(=O)NC3CCN(Cc4ccccc4)CC3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000070687908 553607800 /nfs/dbraw/zinc/60/78/00/553607800.db2.gz NPTAJGOLJKDSKV-XIFFEERXSA-N 0 3 547.659 4.802 50 0 biogenic KJAAHN COc1ccccc1[C@@H]1CN2C(=O)CN(C3CCN(Cc4ccccc4)CC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000070698474 553614507 /nfs/dbraw/zinc/61/45/07/553614507.db2.gz QOSAGSFGFPELJQ-FOPBOCKXSA-N 0 3 548.687 4.873 50 0 biogenic KJAAHN COc1ccccc1[C@H]1CN2C(=O)CN(C3CCN(Cc4ccccc4)CC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000070698477 553614529 /nfs/dbraw/zinc/61/45/29/553614529.db2.gz QOSAGSFGFPELJQ-YJNPBZNESA-N 0 3 548.687 4.873 50 0 biogenic KJAAHN COc1cc2c(c(OC)c1OC)-c1ccc(NC3CCN(Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000070698927 553615295 /nfs/dbraw/zinc/61/52/95/553615295.db2.gz ZCGHVWBUJIOHPL-MHZLTWQESA-N 0 3 557.691 4.940 50 0 biogenic KJAAHN Cc1cn2cc(CC(=O)N3CCC4(CN([C@@H]5CCc6cc(-c7cc(C)ncn7)ccc65)C4)CC3)nc2s1 ZINC000072317087 553647363 /nfs/dbraw/zinc/64/73/63/553647363.db2.gz ZIUDADZJCKGWKR-AREMUKBSSA-N 0 3 512.683 4.624 50 0 in-vitro KJAAHN CC[C@H](C)n1cc(C)c2c1cc(-c1ccc(N3CCNCC3)nc1)cc2C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000072318146 553647374 /nfs/dbraw/zinc/64/73/74/553647374.db2.gz FKSFKBQGSFSOSM-QFIPXVFZSA-N 0 3 526.685 4.627 50 0 in-vitro KJAAHN Cc1cccc(Cl)c1S(=O)(=O)Oc1cccc(CN(CCN(C)C)C(=O)c2ccccc2F)c1 ZINC000085405203 553679695 /nfs/dbraw/zinc/67/96/95/553679695.db2.gz BIVSYSQSSVWTHT-UHFFFAOYSA-N 0 3 505.011 4.759 50 0 KJAAHN Cc1cccc(Cl)c1S(=O)(=O)Oc1cccc(CN(CCN(C)C)C(=O)c2cccc(F)c2)c1 ZINC000085405221 553679727 /nfs/dbraw/zinc/67/97/27/553679727.db2.gz KIWUOGXHZHUMES-UHFFFAOYSA-N 0 3 505.011 4.759 50 0 KJAAHN CCC1=C[C@H]2CN(C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CCN3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000085536956 553682760 /nfs/dbraw/zinc/68/27/60/553682760.db2.gz GBABOYUKABKIAF-JKVZWNDSSA-N 0 3 778.947 4.754 50 0 world KJAAHN CCC1=C[C@@H]2CN(C1)Cc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CCN3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000085536958 553682716 /nfs/dbraw/zinc/68/27/16/553682716.db2.gz GBABOYUKABKIAF-IELIFDKJSA-N 0 3 778.947 4.754 50 0 biogenic,world KJAAHN Cc1cc(NC(=O)c2cccc(NC(=O)/C=C/CN(C)C)c2)ccc1Nc1nccc(-c2cccnc2)n1 ZINC000089464842 553693820 /nfs/dbraw/zinc/69/38/20/553693820.db2.gz GJFCSAPFHAXMSF-UXBLZVDNSA-N 0 3 507.598 4.899 50 0 in-vitro KJAAHN Cc1ccc(CNC(=O)CCCCCN2CCN(CCCCCC(=O)NCc3ccc(C)cc3)CC2)cc1 ZINC000091302241 553695143 /nfs/dbraw/zinc/69/51/43/553695143.db2.gz LKOYHGGYKKJWOZ-UHFFFAOYSA-N 0 3 520.762 4.974 50 0 KJAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000095346134 553701136 /nfs/dbraw/zinc/70/11/36/553701136.db2.gz OXSDCKPRHHQRMH-VJGNERBWSA-N 0 3 502.567 4.934 50 0 KJAAHN Cc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(Cc2ccc(C(=O)NCCN(C)C)cc2)c1C ZINC000096095961 553724112 /nfs/dbraw/zinc/72/41/12/553724112.db2.gz PXYBQTJVLKGRST-COOPMVRXSA-N 0 3 505.471 4.554 50 0 KJAAHN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN(C)C)C(=O)NC(C)(C)C)cc1 ZINC000096211726 553729851 /nfs/dbraw/zinc/72/98/51/553729851.db2.gz CSLVPOWLIXNEGX-UHFFFAOYSA-N 0 3 511.070 4.811 50 0 KJAAHN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2cccc(C)c2)cc1 ZINC000096279599 553736302 /nfs/dbraw/zinc/73/63/02/553736302.db2.gz VRCDQAVFNXGNAJ-MHZLTWQESA-N 0 3 533.742 4.634 50 0 KJAAHN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2cccc(C)c2)cc1 ZINC000096279600 553736266 /nfs/dbraw/zinc/73/62/66/553736266.db2.gz VRCDQAVFNXGNAJ-HHHXNRCGSA-N 0 3 533.742 4.634 50 0 KJAAHN Cc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)c2cccc(CC(=O)NCCN3CCCCC3)c2)cc1 ZINC000096281124 553737186 /nfs/dbraw/zinc/73/71/86/553737186.db2.gz LQSJOYOIALZAPQ-UHFFFAOYSA-N 0 3 513.638 4.715 50 0 KJAAHN CC(C)c1ccc(NC(=O)N2CCc3nc(N4CCN(C5CCCCC5)CC4)nc(N(C)C)c3C2)cc1 ZINC000096281884 553737461 /nfs/dbraw/zinc/73/74/61/553737461.db2.gz IAWQTUZLXFNGDS-UHFFFAOYSA-N 0 3 505.711 4.711 50 0 KJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c(OC)c1OC ZINC000096297847 553748534 /nfs/dbraw/zinc/74/85/34/553748534.db2.gz BKVGQQYQSQAJSB-OARDWFSCSA-N 0 3 510.546 4.917 50 0 KJAAHN Cc1cc(NC(=O)c2cccc(NC(=O)/C=C\CN(C)C)c2)ccc1Nc1nccc(-c2cccnc2)n1 ZINC000096300018 553748735 /nfs/dbraw/zinc/74/87/35/553748735.db2.gz GJFCSAPFHAXMSF-POHAHGRESA-N 0 3 507.598 4.899 50 0 KJAAHN CCc1cc2c(cc1OC(=O)[C@H](N)CCSC)oc([C@H](N)CCSC)c(-c1nc(C)cs1)c2=O ZINC000097495033 553758952 /nfs/dbraw/zinc/75/89/52/553758952.db2.gz TUYRGSHHJWPQHN-IAGOWNOFSA-N 0 3 521.730 4.526 50 0 biogenic KJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000097954126 553821642 /nfs/dbraw/zinc/82/16/42/553821642.db2.gz PZHYBGUBOYUARH-ZONZVBGPSA-N 0 3 544.560 4.645 50 0 KJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000097954127 553821668 /nfs/dbraw/zinc/82/16/68/553821668.db2.gz PZHYBGUBOYUARH-KWXIBIRDSA-N 0 3 544.560 4.645 50 0 KJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000097954228 553822331 /nfs/dbraw/zinc/82/23/31/553822331.db2.gz HIWDNABESQCEPP-KWXIBIRDSA-N 0 3 544.560 4.645 50 0 KJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000097954257 553822633 /nfs/dbraw/zinc/82/26/33/553822633.db2.gz GZQFZDNPGFECFD-KWXIBIRDSA-N 0 3 526.570 4.505 50 0 KJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000097954380 553822875 /nfs/dbraw/zinc/82/28/75/553822875.db2.gz MNBFKRRRPRIYNW-KWXIBIRDSA-N 0 3 526.570 4.505 50 0 KJAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1O ZINC000097954575 553824180 /nfs/dbraw/zinc/82/41/80/553824180.db2.gz CTCQFSBMMNVBBQ-BDTNDASRSA-N 0 3 529.774 4.868 50 0 KJAAHN Cc1nc(SCc2cccc(C(=O)NCCN(C)C)c2)nc(N2CCN(C/C=C/c3ccccc3)CC2)c1C ZINC000097956129 553836341 /nfs/dbraw/zinc/83/63/41/553836341.db2.gz QUPDETGGUWJXRB-UKTHLTGXSA-N 0 3 544.769 4.513 50 0 KJAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 ZINC000097961285 553876579 /nfs/dbraw/zinc/87/65/79/553876579.db2.gz HIWHXHSESLOOGQ-OQKWZONESA-N 0 3 530.046 4.904 50 0 KJAAHN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)c3ccccc3)cc1)C(C)(C)NC(C)(C)C2 ZINC000097963580 553892011 /nfs/dbraw/zinc/89/20/11/553892011.db2.gz HPMKKACQZNNZQG-UHFFFAOYSA-N 0 3 541.695 4.772 50 0 KJAAHN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)C3CCCCC3)cc1)C(C)(C)NC(C)(C)C2 ZINC000097963581 553892033 /nfs/dbraw/zinc/89/20/33/553892033.db2.gz GVOSPPVRVMWGLU-UHFFFAOYSA-N 0 3 547.743 4.900 50 0 KJAAHN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc1)C(C)(C)NC(C)(C)C2 ZINC000097963582 553892101 /nfs/dbraw/zinc/89/21/01/553892101.db2.gz NFQAEJZPHGZELT-CALCHBBNSA-N 0 3 547.743 4.613 50 0 KJAAHN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc1)C(C)(C)NC(C)(C)C2 ZINC000097963583 553892129 /nfs/dbraw/zinc/89/21/29/553892129.db2.gz NFQAEJZPHGZELT-IRXDYDNUSA-N 0 3 547.743 4.613 50 0 KJAAHN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc1)C(C)(C)NC(C)(C)C2 ZINC000097963584 553892120 /nfs/dbraw/zinc/89/21/20/553892120.db2.gz NFQAEJZPHGZELT-IAGOWNOFSA-N 0 3 547.743 4.613 50 0 KJAAHN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2c1CC(C)(C)NC2(C)C ZINC000097963597 553892083 /nfs/dbraw/zinc/89/20/83/553892083.db2.gz SUEZXKCHWVWCRA-KRWDZBQOSA-N 0 3 547.743 4.900 50 0 KJAAHN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2c1CC(C)(C)NC2(C)C ZINC000097963598 553892158 /nfs/dbraw/zinc/89/21/58/553892158.db2.gz SUEZXKCHWVWCRA-QGZVFWFLSA-N 0 3 547.743 4.900 50 0 KJAAHN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2c1CC(C)(C)NC2(C)C ZINC000097963599 553892113 /nfs/dbraw/zinc/89/21/13/553892113.db2.gz SFVOHKDJSDMREG-UHFFFAOYSA-N 0 3 547.743 4.757 50 0 KJAAHN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C(C)(C)NC(C)(C)C2 ZINC000097963608 553892554 /nfs/dbraw/zinc/89/25/54/553892554.db2.gz WHTWIVGLDBVSOW-UHFFFAOYSA-N 0 3 547.743 4.901 50 0 KJAAHN O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(c2ccccn2)CC1 ZINC000097994479 554032024 /nfs/dbraw/zinc/03/20/24/554032024.db2.gz QPYKJYAPHZSNCB-IBGZPJMESA-N 0 3 544.291 4.898 50 0 KJAAHN O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(c2ccccn2)CC1 ZINC000097994480 554032036 /nfs/dbraw/zinc/03/20/36/554032036.db2.gz QPYKJYAPHZSNCB-LJQANCHMSA-N 0 3 544.291 4.898 50 0 KJAAHN CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@H](O)CN2CCN(CCO)CC2)c2ccccc12 ZINC000098000380 554050430 /nfs/dbraw/zinc/05/04/30/554050430.db2.gz DYWOHBWEOVFXIR-MUUNZHRXSA-N 0 3 569.746 4.998 50 0 KJAAHN CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@@H](O)CN2CCN(CCO)CC2)c2ccccc12 ZINC000098000381 554050533 /nfs/dbraw/zinc/05/05/33/554050533.db2.gz DYWOHBWEOVFXIR-NDEPHWFRSA-N 0 3 569.746 4.998 50 0 KJAAHN CCCCCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CCC(C(N)=O)CC2)cc1 ZINC000098005915 554059461 /nfs/dbraw/zinc/05/94/61/554059461.db2.gz TZXRKTBTVYBOMB-GDLZYMKVSA-N 0 3 623.820 4.573 50 0 KJAAHN CCCCCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CCC(C(N)=O)CC2)cc1 ZINC000098005916 554059521 /nfs/dbraw/zinc/05/95/21/554059521.db2.gz TZXRKTBTVYBOMB-LJAQVGFWSA-N 0 3 623.820 4.573 50 0 KJAAHN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098006298 554061141 /nfs/dbraw/zinc/06/11/41/554061141.db2.gz NSYPWJCCSUXNEZ-JYNFALFTSA-N 0 3 557.617 4.999 50 0 KJAAHN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098006299 554061013 /nfs/dbraw/zinc/06/10/13/554061013.db2.gz NSYPWJCCSUXNEZ-UKFQETCTSA-N 0 3 557.617 4.999 50 0 KJAAHN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098006300 554061054 /nfs/dbraw/zinc/06/10/54/554061054.db2.gz NSYPWJCCSUXNEZ-POWWOLADSA-N 0 3 557.617 4.999 50 0 KJAAHN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098006301 554061161 /nfs/dbraw/zinc/06/11/61/554061161.db2.gz NSYPWJCCSUXNEZ-BDBUQDONSA-N 0 3 557.617 4.999 50 0 KJAAHN COc1ccc([C@H](N)CC(=O)N2CCN(c3nc4ccc(Br)cc4c(-c4ccccc4)n3)CC2)cc1OC ZINC000098009750 554070729 /nfs/dbraw/zinc/07/07/29/554070729.db2.gz BTLMFGDNUIVBJZ-HSZRJFAPSA-N 0 3 576.495 4.815 50 0 KJAAHN COc1ccc([C@@H](N)CC(=O)N2CCN(c3nc4ccc(Br)cc4c(-c4ccccc4)n3)CC2)cc1OC ZINC000098009751 554070805 /nfs/dbraw/zinc/07/08/05/554070805.db2.gz BTLMFGDNUIVBJZ-QHCPKHFHSA-N 0 3 576.495 4.815 50 0 KJAAHN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2cccs2)c1C ZINC000098010914 554075461 /nfs/dbraw/zinc/07/54/61/554075461.db2.gz SCCNVEPCXSZNEQ-VWLOTQADSA-N 0 3 539.771 4.695 50 0 KJAAHN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2cccs2)c1C ZINC000098010915 554075390 /nfs/dbraw/zinc/07/53/90/554075390.db2.gz SCCNVEPCXSZNEQ-RUZDIDTESA-N 0 3 539.771 4.695 50 0 KJAAHN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2ccc(F)cc2F)c1 ZINC000098010984 554076337 /nfs/dbraw/zinc/07/63/37/554076337.db2.gz PWMBNHFBAKZYIU-SANMLTNESA-N 0 3 555.695 4.603 50 0 KJAAHN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2ccc(F)cc2F)c1 ZINC000098010985 554076371 /nfs/dbraw/zinc/07/63/71/554076371.db2.gz PWMBNHFBAKZYIU-AREMUKBSSA-N 0 3 555.695 4.603 50 0 KJAAHN COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)NCCN(C)C)c3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1 ZINC000098011022 554076641 /nfs/dbraw/zinc/07/66/41/554076641.db2.gz KFAXSNAZQXCPMG-YTTGMZPUSA-N 0 3 599.757 4.712 50 0 KJAAHN COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)NCCN(C)C)c3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1 ZINC000098011023 554076709 /nfs/dbraw/zinc/07/67/09/554076709.db2.gz KFAXSNAZQXCPMG-JGCGQSQUSA-N 0 3 599.757 4.712 50 0 KJAAHN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2ccc(F)cc2)cc1 ZINC000098011106 554077562 /nfs/dbraw/zinc/07/75/62/554077562.db2.gz CDPNJHTVCFMGBY-PMERELPUSA-N 0 3 573.694 4.534 50 0 KJAAHN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2ccc(F)cc2)cc1 ZINC000098011107 554077616 /nfs/dbraw/zinc/07/76/16/554077616.db2.gz CDPNJHTVCFMGBY-SSEXGKCCSA-N 0 3 573.694 4.534 50 0 KJAAHN COc1ccc([C@@H]2SCC(=O)N(CC(=O)NCCN(C)C)c3c2c(-c2ccccc2)nn3-c2cccc(C)c2)cc1OC ZINC000098011350 554079940 /nfs/dbraw/zinc/07/99/40/554079940.db2.gz DBECODLTTUVPAU-YTTGMZPUSA-N 0 3 599.757 4.712 50 0 KJAAHN COc1ccc([C@H]2SCC(=O)N(CC(=O)NCCN(C)C)c3c2c(-c2ccccc2)nn3-c2cccc(C)c2)cc1OC ZINC000098011351 554079954 /nfs/dbraw/zinc/07/99/54/554079954.db2.gz DBECODLTTUVPAU-JGCGQSQUSA-N 0 3 599.757 4.712 50 0 KJAAHN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2ccccc2Cl)cc1 ZINC000098011424 554080587 /nfs/dbraw/zinc/08/05/87/554080587.db2.gz PGCJTNUPNITJDE-AREMUKBSSA-N 0 3 570.159 4.679 50 0 KJAAHN COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2ccccc2Cl)cc1 ZINC000098011425 554080522 /nfs/dbraw/zinc/08/05/22/554080522.db2.gz PGCJTNUPNITJDE-SANMLTNESA-N 0 3 570.159 4.679 50 0 KJAAHN CN(C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@@H](c2cccc(Cl)c2)SCC1=O ZINC000098011512 554081496 /nfs/dbraw/zinc/08/14/96/554081496.db2.gz QLFILSKLIDOMSQ-RUZDIDTESA-N 0 3 558.123 4.809 50 0 KJAAHN CN(C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@H](c2cccc(Cl)c2)SCC1=O ZINC000098011513 554081505 /nfs/dbraw/zinc/08/15/05/554081505.db2.gz QLFILSKLIDOMSQ-VWLOTQADSA-N 0 3 558.123 4.809 50 0 KJAAHN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2ccccc2C)cc1 ZINC000098011986 554086516 /nfs/dbraw/zinc/08/65/16/554086516.db2.gz TZBHQZCOHOVHQD-WJOKGBTCSA-N 0 3 569.731 4.703 50 0 KJAAHN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2ccccc2C)cc1 ZINC000098011987 554086532 /nfs/dbraw/zinc/08/65/32/554086532.db2.gz TZBHQZCOHOVHQD-HKBQPEDESA-N 0 3 569.731 4.703 50 0 KJAAHN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2cccc(C)c2)cc1 ZINC000098012048 554087151 /nfs/dbraw/zinc/08/71/51/554087151.db2.gz GOMYWMBFVDCQHQ-WJOKGBTCSA-N 0 3 569.731 4.703 50 0 KJAAHN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2cccc(C)c2)cc1 ZINC000098012049 554087073 /nfs/dbraw/zinc/08/70/73/554087073.db2.gz GOMYWMBFVDCQHQ-HKBQPEDESA-N 0 3 569.731 4.703 50 0 KJAAHN CN(C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(Cl)c2)[C@@H](c2cccs2)SCC1=O ZINC000098012210 554088602 /nfs/dbraw/zinc/08/86/02/554088602.db2.gz GSRZRETWUXXVJN-HSZRJFAPSA-N 0 3 546.162 4.732 50 0 KJAAHN CN(C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(Cl)c2)[C@H](c2cccs2)SCC1=O ZINC000098012211 554088544 /nfs/dbraw/zinc/08/85/44/554088544.db2.gz GSRZRETWUXXVJN-QHCPKHFHSA-N 0 3 546.162 4.732 50 0 KJAAHN CN(C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(Cl)c2)[C@@H](c2ccsc2)SCC1=O ZINC000098012230 554088861 /nfs/dbraw/zinc/08/88/61/554088861.db2.gz XJXWMNPOSGCGMP-HSZRJFAPSA-N 0 3 546.162 4.732 50 0 KJAAHN CN(C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(Cl)c2)[C@H](c2ccsc2)SCC1=O ZINC000098012231 554088815 /nfs/dbraw/zinc/08/88/15/554088815.db2.gz XJXWMNPOSGCGMP-QHCPKHFHSA-N 0 3 546.162 4.732 50 0 KJAAHN CN(C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(Cl)c2)[C@@H](c2cccc(F)c2)SCC1=O ZINC000098012252 554089140 /nfs/dbraw/zinc/08/91/40/554089140.db2.gz RLESCSLXNFJAQP-RUZDIDTESA-N 0 3 558.123 4.809 50 0 KJAAHN CN(C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(Cl)c2)[C@H](c2cccc(F)c2)SCC1=O ZINC000098012253 554089189 /nfs/dbraw/zinc/08/91/89/554089189.db2.gz RLESCSLXNFJAQP-VWLOTQADSA-N 0 3 558.123 4.809 50 0 KJAAHN COc1ccccc1[C@H]1SCC(=O)N(CC(=O)NCCN(C)C)c2c1c(C(C)(C)C)nn2-c1ccccc1Cl ZINC000098012358 554090037 /nfs/dbraw/zinc/09/00/37/554090037.db2.gz WMARVGJFCPZDDJ-AREMUKBSSA-N 0 3 570.159 4.679 50 0 KJAAHN COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)NCCN(C)C)c2c1c(C(C)(C)C)nn2-c1ccccc1Cl ZINC000098012359 554090032 /nfs/dbraw/zinc/09/00/32/554090032.db2.gz WMARVGJFCPZDDJ-SANMLTNESA-N 0 3 570.159 4.679 50 0 KJAAHN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2cccc(F)c2)c1C ZINC000098012388 554090295 /nfs/dbraw/zinc/09/02/95/554090295.db2.gz MNXHRSFLGFAHRE-MHZLTWQESA-N 0 3 551.732 4.773 50 0 KJAAHN Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2cccc(F)c2)c1C ZINC000098012389 554090276 /nfs/dbraw/zinc/09/02/76/554090276.db2.gz MNXHRSFLGFAHRE-HHHXNRCGSA-N 0 3 551.732 4.773 50 0 KJAAHN CN(C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(F)c2)[C@@H](c2ccccc2Cl)SCC1=O ZINC000098012414 554090625 /nfs/dbraw/zinc/09/06/25/554090625.db2.gz HQZKWBABXBHDKI-RUZDIDTESA-N 0 3 558.123 4.809 50 0 KJAAHN CN(C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(F)c2)[C@H](c2ccccc2Cl)SCC1=O ZINC000098012415 554090611 /nfs/dbraw/zinc/09/06/11/554090611.db2.gz HQZKWBABXBHDKI-VWLOTQADSA-N 0 3 558.123 4.809 50 0 KJAAHN CCOC(=O)C1CCN(C(=O)c2ccc(CSc3nc(CC)cc(N4CCN(Cc5ccccc5)CC4)n3)o2)CC1 ZINC000098015027 554095228 /nfs/dbraw/zinc/09/52/28/554095228.db2.gz KFSFHEBYRLJSID-UHFFFAOYSA-N 0 3 577.751 4.662 50 0 KJAAHN Cc1cc(N2CCN(Cc3ccccc3)CC2)nc(SCc2cccc(C(=O)NCCc3ccccn3)c2)n1 ZINC000098015032 554095147 /nfs/dbraw/zinc/09/51/47/554095147.db2.gz CLKZKOQEDMUGCS-UHFFFAOYSA-N 0 3 538.721 4.767 50 0 KJAAHN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(CSc3nc(C)cc(N4CCN(Cc5ccccc5)CC4)n3)c2)C1 ZINC000098015033 554095122 /nfs/dbraw/zinc/09/51/22/554095122.db2.gz HSMMHPKHRCUGBY-MUUNZHRXSA-N 0 3 573.763 4.815 50 0 KJAAHN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CSc3nc(C)cc(N4CCN(Cc5ccccc5)CC4)n3)c2)C1 ZINC000098015034 554095202 /nfs/dbraw/zinc/09/52/02/554095202.db2.gz HSMMHPKHRCUGBY-NDEPHWFRSA-N 0 3 573.763 4.815 50 0 KJAAHN CN(C)CCNC(=O)c1cccc(CSc2nc(-c3ccccc3)cc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c1 ZINC000098015106 554095829 /nfs/dbraw/zinc/09/58/29/554095829.db2.gz BLUUQCYXJUMRST-UHFFFAOYSA-N 0 3 610.784 4.778 50 0 KJAAHN CN(C)CCNC(=O)c1ccc(CSc2nc(N3CCN(c4ccccc4Cl)CC3)cc(C(F)(F)F)n2)o1 ZINC000098015130 554096200 /nfs/dbraw/zinc/09/62/00/554096200.db2.gz IZMSHBRVJPJZLB-UHFFFAOYSA-N 0 3 569.053 4.652 50 0 KJAAHN COc1ccc(Oc2cnn(-c3ccc(Cl)cc3)c(=O)c2Nc2ccc(C(=O)NCCN(C)C)cc2)cc1 ZINC000098015551 554100236 /nfs/dbraw/zinc/10/02/36/554100236.db2.gz OJUNMQWZMPEJEU-UHFFFAOYSA-N 0 3 534.016 4.722 50 0 KJAAHN COc1ccc(-n2ncc(Oc3ccc4c(c3)CCC4)c(Nc3cccc(C(=O)NCCN(C)C)c3)c2=O)cc1 ZINC000098015579 554100590 /nfs/dbraw/zinc/10/05/90/554100590.db2.gz OPMXIBWOTQKZAT-UHFFFAOYSA-N 0 3 539.636 4.557 50 0 KJAAHN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCC2)C(=O)CCc2ccccc2)cc1OC ZINC000098019703 554114052 /nfs/dbraw/zinc/11/40/52/554114052.db2.gz AGRCFCZEQXRUBQ-UHFFFAOYSA-N 0 3 561.723 4.734 50 0 KJAAHN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCC2)C(=O)Nc2cccc(F)c2)cc1OC ZINC000098019726 554114188 /nfs/dbraw/zinc/11/41/88/554114188.db2.gz BIQKOZXZEGJYQM-UHFFFAOYSA-N 0 3 566.674 4.946 50 0 KJAAHN COCCN(CC(=O)Nc1nc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cs1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000098019878 554115050 /nfs/dbraw/zinc/11/50/50/554115050.db2.gz YMZMCGHMMIBLEU-UHFFFAOYSA-N 0 3 618.587 4.501 50 0 KJAAHN COc1cc(CN2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)ccc1OCc1ccccc1 ZINC000098045187 554131266 /nfs/dbraw/zinc/13/12/66/554131266.db2.gz CXGIEIXCXSILFH-UHFFFAOYSA-N 0 3 557.691 4.559 50 0 KJAAHN CCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000098046739 554143092 /nfs/dbraw/zinc/14/30/92/554143092.db2.gz WPSTYWZFYVHLDG-HSZRJFAPSA-N 0 3 529.431 4.850 50 0 KJAAHN CCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000098046740 554143161 /nfs/dbraw/zinc/14/31/61/554143161.db2.gz WPSTYWZFYVHLDG-QHCPKHFHSA-N 0 3 529.431 4.850 50 0 KJAAHN O[C@@H](CNCc1ccco1)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098048131 554159881 /nfs/dbraw/zinc/15/98/81/554159881.db2.gz AXYFIJOMOYTSGH-HNNXBMFYSA-N 0 3 572.184 4.747 50 0 KJAAHN O[C@H](CNCc1ccco1)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098048132 554159820 /nfs/dbraw/zinc/15/98/20/554159820.db2.gz AXYFIJOMOYTSGH-OAHLLOKOSA-N 0 3 572.184 4.747 50 0 KJAAHN O[C@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)CN1CCN(c2ccccn2)CC1 ZINC000098048139 554159771 /nfs/dbraw/zinc/15/97/71/554159771.db2.gz DRMVPAOZZBFVBJ-IBGZPJMESA-N 0 3 638.291 4.582 50 0 KJAAHN O[C@@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)CN1CCN(c2ccccn2)CC1 ZINC000098048140 554159890 /nfs/dbraw/zinc/15/98/90/554159890.db2.gz DRMVPAOZZBFVBJ-LJQANCHMSA-N 0 3 638.291 4.582 50 0 KJAAHN COc1ccccc1NC(=O)N(c1ccc2c(c1)CCN2S(C)(=O)=O)C1CCN(Cc2ccccc2)CC1 ZINC000100001465 554177473 /nfs/dbraw/zinc/17/74/73/554177473.db2.gz VWVNHBIXMIVGPN-UHFFFAOYSA-N 0 3 534.682 4.720 50 0 KJAAHN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc(I)c1 ZINC000100055340 554195914 /nfs/dbraw/zinc/19/59/14/554195914.db2.gz AOOJDOJRRDHCAW-UHFFFAOYSA-N 0 3 556.473 4.740 50 0 KJAAHN Cc1c(Cl)cccc1NC(=[NH2+])Nc1nc(CSC(=S)N2CCN(Cc3ccccc3)CC2)cc(=O)[n-]1 ZINC000100123397 554224751 /nfs/dbraw/zinc/22/47/51/554224751.db2.gz OLRFVHXARQQNGM-UHFFFAOYSA-N 0 3 542.134 4.526 50 0 KJAAHN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)c2=O)cc1 ZINC000100852621 554492750 /nfs/dbraw/zinc/49/27/50/554492750.db2.gz BNSAKIYAUGPJDK-UHFFFAOYSA-N 0 3 615.734 4.553 50 0 KJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc(OC)cc2)cc1 ZINC000100884633 554508419 /nfs/dbraw/zinc/50/84/19/554508419.db2.gz DPSCPAUNQJIQFK-ZLNRFVROSA-N 0 3 509.356 4.517 50 0 KJAAHN O=C1C2ON(c3ccc(Br)cc3)[C@@H](c3cccnc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100891606 554512304 /nfs/dbraw/zinc/51/23/04/554512304.db2.gz QWVYWZXTRYISRT-AABGKKOBSA-N 0 3 518.289 4.914 50 0 KJAAHN O=C1C2ON(c3ccc(Br)cc3)[C@H](c3cccnc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100891608 554512338 /nfs/dbraw/zinc/51/23/38/554512338.db2.gz QWVYWZXTRYISRT-ZCNNSNEGSA-N 0 3 518.289 4.914 50 0 KJAAHN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2cccc(F)c2)c(C)c1 ZINC000101047735 554568496 /nfs/dbraw/zinc/56/84/96/554568496.db2.gz KTCFKWNYLPODIO-MHZLTWQESA-N 0 3 551.732 4.773 50 0 KJAAHN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2cccc(F)c2)c(C)c1 ZINC000101047742 554568485 /nfs/dbraw/zinc/56/84/85/554568485.db2.gz KTCFKWNYLPODIO-HHHXNRCGSA-N 0 3 551.732 4.773 50 0 KJAAHN Cc1ccccc1[C@H]1SCC(=O)N(CC(=O)NCCN(C)C)c2c1c(-c1ccccc1)nn2-c1ccc(F)cc1 ZINC000101047924 554568463 /nfs/dbraw/zinc/56/84/63/554568463.db2.gz BXWPTUVVDWRRNJ-SSEXGKCCSA-N 0 3 557.695 4.834 50 0 KJAAHN Cc1ccccc1[C@@H]1SCC(=O)N(CC(=O)NCCN(C)C)c2c1c(-c1ccccc1)nn2-c1ccc(F)cc1 ZINC000101047929 554568489 /nfs/dbraw/zinc/56/84/89/554568489.db2.gz BXWPTUVVDWRRNJ-PMERELPUSA-N 0 3 557.695 4.834 50 0 KJAAHN CN(C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2Cl)[C@@H](c2cccc(F)c2)SCC1=O ZINC000101047961 554568405 /nfs/dbraw/zinc/56/84/05/554568405.db2.gz CCUSDMBTUKSOMN-RUZDIDTESA-N 0 3 558.123 4.809 50 0 KJAAHN CN(C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccccc2Cl)[C@H](c2cccc(F)c2)SCC1=O ZINC000101047966 554568425 /nfs/dbraw/zinc/56/84/25/554568425.db2.gz CCUSDMBTUKSOMN-VWLOTQADSA-N 0 3 558.123 4.809 50 0 KJAAHN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2ccc(F)cc2F)cc1 ZINC000101052293 554568951 /nfs/dbraw/zinc/56/89/51/554568951.db2.gz MZLJAJILLGXENM-SANMLTNESA-N 0 3 555.695 4.603 50 0 KJAAHN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2ccc(F)cc2F)cc1 ZINC000101052298 554568955 /nfs/dbraw/zinc/56/89/55/554568955.db2.gz MZLJAJILLGXENM-AREMUKBSSA-N 0 3 555.695 4.603 50 0 KJAAHN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2cccs2)c(C)c1 ZINC000101054175 554568891 /nfs/dbraw/zinc/56/88/91/554568891.db2.gz NPUROHPBKGIZNH-VWLOTQADSA-N 0 3 539.771 4.695 50 0 KJAAHN Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2cccs2)c(C)c1 ZINC000101054180 554569271 /nfs/dbraw/zinc/56/92/71/554569271.db2.gz NPUROHPBKGIZNH-RUZDIDTESA-N 0 3 539.771 4.695 50 0 KJAAHN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000101054572 554569234 /nfs/dbraw/zinc/56/92/34/554569234.db2.gz YSHCDVHRSBXTKW-ZLNRFVROSA-N 0 3 509.356 4.517 50 0 KJAAHN Cc1cccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2cccc(F)c2)c1 ZINC000101055877 554569478 /nfs/dbraw/zinc/56/94/78/554569478.db2.gz JQFAWNHTMNTZJQ-PMERELPUSA-N 0 3 557.695 4.834 50 0 KJAAHN Cc1cccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2cccc(F)c2)c1 ZINC000101055879 554569499 /nfs/dbraw/zinc/56/94/99/554569499.db2.gz JQFAWNHTMNTZJQ-SSEXGKCCSA-N 0 3 557.695 4.834 50 0 KJAAHN O=C(C1CCN(C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000101081495 554578965 /nfs/dbraw/zinc/57/89/65/554578965.db2.gz TXZOQWCVUGCPSQ-UHFFFAOYSA-N 0 3 588.612 4.796 50 0 KJAAHN Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1C ZINC000101091126 554582158 /nfs/dbraw/zinc/58/21/58/554582158.db2.gz NFKOYNWAIWHZQI-HKBQPEDESA-N 0 3 606.565 4.587 50 0 KJAAHN Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1C ZINC000101091127 554582143 /nfs/dbraw/zinc/58/21/43/554582143.db2.gz NFKOYNWAIWHZQI-WJOKGBTCSA-N 0 3 606.565 4.587 50 0 KJAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101097108 554584883 /nfs/dbraw/zinc/58/48/83/554584883.db2.gz GLCNHWBHNNLGNE-FCEKVYKBSA-N 0 3 520.541 4.966 50 0 KJAAHN Cc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]21 ZINC000101098795 554585385 /nfs/dbraw/zinc/58/53/85/554585385.db2.gz NCDNPTLQPBCGTL-FSSWDIPSSA-N 0 3 524.802 4.671 50 0 KJAAHN Cc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2C(=O)N(c3ccccc3Cl)C(=O)[C@H]21 ZINC000101098801 554585551 /nfs/dbraw/zinc/58/55/51/554585551.db2.gz NCDNPTLQPBCGTL-FKBYEOEOSA-N 0 3 524.802 4.671 50 0 KJAAHN O=C(c1cccc(Br)c1)N1N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)C21 ZINC000101098803 554585751 /nfs/dbraw/zinc/58/57/51/554585751.db2.gz AXAXRNDBDQAWDN-NJYVYQBISA-N 0 3 528.765 4.502 50 0 KJAAHN O=C(c1cccc(Br)c1)N1N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)C21 ZINC000101098804 554585730 /nfs/dbraw/zinc/58/57/30/554585730.db2.gz AXAXRNDBDQAWDN-HKBOAZHASA-N 0 3 528.765 4.502 50 0 KJAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101112751 554642123 /nfs/dbraw/zinc/64/21/23/554642123.db2.gz XITPCMNFQGWLBM-PFBJBMPXSA-N 0 3 502.567 4.934 50 0 KJAAHN COc1cc(OC)c([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101114984 554642812 /nfs/dbraw/zinc/64/28/12/554642812.db2.gz BVYWYZXWCUQGJJ-IARZGTGTSA-N 0 3 510.546 4.917 50 0 KJAAHN COc1ccc(OC)c(C(=O)C2[C@@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101120555 554643648 /nfs/dbraw/zinc/64/36/48/554643648.db2.gz WDKOIKGDAKLJBU-KWYVSSJISA-N 0 3 508.574 4.656 50 0 KJAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101140560 554653212 /nfs/dbraw/zinc/65/32/12/554653212.db2.gz BZYYLYYTEBWSRW-PFBJBMPXSA-N 0 3 502.567 4.934 50 0 KJAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1O ZINC000101142540 554654337 /nfs/dbraw/zinc/65/43/37/554654337.db2.gz CTCQFSBMMNVBBQ-VSKRKVRLSA-N 0 3 529.774 4.868 50 0 KJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1Br ZINC000101181309 554667017 /nfs/dbraw/zinc/66/70/17/554667017.db2.gz DZNKLUCVFPQYRL-ZLNRFVROSA-N 0 3 509.356 4.517 50 0 KJAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101184947 554668970 /nfs/dbraw/zinc/66/89/70/554668970.db2.gz LRBKOSZXIYIYBS-VJGNERBWSA-N 0 3 502.567 4.934 50 0 KJAAHN COc1ccc(OC)c(C(=O)C2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101189227 554670200 /nfs/dbraw/zinc/67/02/00/554670200.db2.gz QOGNHDGKUZYEBQ-UUROJUAVSA-N 0 3 528.992 4.919 50 0 KJAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc(OC)c1OC ZINC000101189288 554670300 /nfs/dbraw/zinc/67/03/00/554670300.db2.gz ORNQRVQPUKWWID-GTNKKZTPSA-N 0 3 510.546 4.917 50 0 KJAAHN CCCCN(C)CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101205636 554675661 /nfs/dbraw/zinc/67/56/61/554675661.db2.gz YJMCQCAQVHBOMO-SRILOVTHSA-N 0 3 600.760 4.749 50 0 biogenic KJAAHN CCCCN(C)CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101205640 554675647 /nfs/dbraw/zinc/67/56/47/554675647.db2.gz YJMCQCAQVHBOMO-ZLMQMPPYSA-N 0 3 600.760 4.749 50 0 biogenic KJAAHN CN(CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101205971 554675783 /nfs/dbraw/zinc/67/57/83/554675783.db2.gz KFDGOINRGGKHRC-AXGKCNHXSA-N 0 3 635.603 4.509 50 0 biogenic KJAAHN CN(CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101205973 554675760 /nfs/dbraw/zinc/67/57/60/554675760.db2.gz KFDGOINRGGKHRC-BIRRFFDLSA-N 0 3 635.603 4.509 50 0 biogenic KJAAHN CC[C@@H]1CCCCN1CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101208501 554677725 /nfs/dbraw/zinc/67/77/25/554677725.db2.gz OZEFJHJIZICZPC-MKYXBXGFSA-N 0 3 576.782 4.613 50 0 biogenic KJAAHN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCN3CCC(C)CC3)C2=S)cc1 ZINC000101254097 554694501 /nfs/dbraw/zinc/69/45/01/554694501.db2.gz YESVGKIRKMGWFE-DEOSSOPVSA-N 0 3 557.116 4.580 50 0 KJAAHN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCN3CCC(C)CC3)C2=S)cc1 ZINC000101254099 554694506 /nfs/dbraw/zinc/69/45/06/554694506.db2.gz YESVGKIRKMGWFE-XMMPIXPASA-N 0 3 557.116 4.580 50 0 KJAAHN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254143 554694666 /nfs/dbraw/zinc/69/46/66/554694666.db2.gz VIAQWWBGPDFQCG-AREMUKBSSA-N 0 3 538.714 4.547 50 0 KJAAHN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254147 554694587 /nfs/dbraw/zinc/69/45/87/554694587.db2.gz VIAQWWBGPDFQCG-SANMLTNESA-N 0 3 538.714 4.547 50 0 KJAAHN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254207 554694686 /nfs/dbraw/zinc/69/46/86/554694686.db2.gz WWRAGHSYOUSQOR-XMMPIXPASA-N 0 3 559.132 4.810 50 0 KJAAHN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254210 554694641 /nfs/dbraw/zinc/69/46/41/554694641.db2.gz WWRAGHSYOUSQOR-DEOSSOPVSA-N 0 3 559.132 4.810 50 0 KJAAHN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254214 554694615 /nfs/dbraw/zinc/69/46/15/554694615.db2.gz KUTDZYSKTDRWSD-XMMPIXPASA-N 0 3 587.142 4.588 50 0 KJAAHN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254219 554694593 /nfs/dbraw/zinc/69/45/93/554694593.db2.gz KUTDZYSKTDRWSD-DEOSSOPVSA-N 0 3 587.142 4.588 50 0 KJAAHN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254610 554695248 /nfs/dbraw/zinc/69/52/48/554695248.db2.gz GYEVOSUTPLGESM-RUZDIDTESA-N 0 3 540.755 4.870 50 0 KJAAHN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254613 554695225 /nfs/dbraw/zinc/69/52/25/554695225.db2.gz GYEVOSUTPLGESM-VWLOTQADSA-N 0 3 540.755 4.870 50 0 KJAAHN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254620 554695206 /nfs/dbraw/zinc/69/52/06/554695206.db2.gz HVOGUSKIJPZUPG-HHHXNRCGSA-N 0 3 552.741 4.937 50 0 KJAAHN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254623 554695254 /nfs/dbraw/zinc/69/52/54/554695254.db2.gz HVOGUSKIJPZUPG-MHZLTWQESA-N 0 3 552.741 4.937 50 0 KJAAHN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254634 554695240 /nfs/dbraw/zinc/69/52/40/554695240.db2.gz ICEQUUQPRWNGNH-HHHXNRCGSA-N 0 3 580.751 4.715 50 0 KJAAHN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254637 554695223 /nfs/dbraw/zinc/69/52/23/554695223.db2.gz ICEQUUQPRWNGNH-MHZLTWQESA-N 0 3 580.751 4.715 50 0 KJAAHN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254645 554695211 /nfs/dbraw/zinc/69/52/11/554695211.db2.gz QZBOACFLJMFKDT-AREMUKBSSA-N 0 3 538.714 4.547 50 0 KJAAHN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254648 554695230 /nfs/dbraw/zinc/69/52/30/554695230.db2.gz QZBOACFLJMFKDT-SANMLTNESA-N 0 3 538.714 4.547 50 0 KJAAHN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101255487 554696690 /nfs/dbraw/zinc/69/66/90/554696690.db2.gz GMMIZUNCRWPGGN-XMMPIXPASA-N 0 3 557.116 4.580 50 0 KJAAHN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101255491 554696675 /nfs/dbraw/zinc/69/66/75/554696675.db2.gz GMMIZUNCRWPGGN-DEOSSOPVSA-N 0 3 557.116 4.580 50 0 KJAAHN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101255508 554696683 /nfs/dbraw/zinc/69/66/83/554696683.db2.gz OJKDCIHYNWLUPG-XMMPIXPASA-N 0 3 557.116 4.580 50 0 KJAAHN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101255513 554696805 /nfs/dbraw/zinc/69/68/05/554696805.db2.gz OJKDCIHYNWLUPG-DEOSSOPVSA-N 0 3 557.116 4.580 50 0 KJAAHN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCN3CCC(C)CC3)C2=S)cc1Cl ZINC000101255517 554696763 /nfs/dbraw/zinc/69/67/63/554696763.db2.gz ZZUUTGBVMMLUBW-JOCHJYFZSA-N 0 3 533.069 4.551 50 0 KJAAHN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCN3CCC(C)CC3)C2=S)cc1Cl ZINC000101255522 554696797 /nfs/dbraw/zinc/69/67/97/554696797.db2.gz ZZUUTGBVMMLUBW-QFIPXVFZSA-N 0 3 533.069 4.551 50 0 KJAAHN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCCCC2)cc1 ZINC000101255589 554696768 /nfs/dbraw/zinc/69/67/68/554696768.db2.gz AAXNLMXXYFRIFT-HSZRJFAPSA-N 0 3 545.105 4.564 50 0 KJAAHN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCCCC2)cc1 ZINC000101255594 554696785 /nfs/dbraw/zinc/69/67/85/554696785.db2.gz AAXNLMXXYFRIFT-QHCPKHFHSA-N 0 3 545.105 4.564 50 0 KJAAHN COc1ccccc1[C@@H]1NN(C(=O)c2ccc(C)cc2)C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000101263113 554697596 /nfs/dbraw/zinc/69/75/96/554697596.db2.gz VBJAPNRUVRFFGG-XPWALMASSA-N 0 3 510.377 4.570 50 0 KJAAHN COc1ccccc1[C@@H]1NN(C(=O)c2ccc(C)cc2)C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000101263114 554697683 /nfs/dbraw/zinc/69/76/83/554697683.db2.gz VBJAPNRUVRFFGG-VJBWXMMDSA-N 0 3 510.377 4.570 50 0 KJAAHN COc1ccccc1[C@@H]1NN(C(=O)c2ccc(C)cc2)C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000101263116 554697583 /nfs/dbraw/zinc/69/75/83/554697583.db2.gz VBJAPNRUVRFFGG-RJGXRXQPSA-N 0 3 510.377 4.570 50 0 KJAAHN COc1ccc([C@@H]2NN(C(=O)c3ccc(C)cc3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)cc1 ZINC000101263122 554697562 /nfs/dbraw/zinc/69/75/62/554697562.db2.gz RHWGIEUEWUDEIY-XPWALMASSA-N 0 3 510.377 4.570 50 0 KJAAHN COc1ccc([C@@H]2NN(C(=O)c3ccc(C)cc3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)cc1 ZINC000101263124 554697623 /nfs/dbraw/zinc/69/76/23/554697623.db2.gz RHWGIEUEWUDEIY-VJBWXMMDSA-N 0 3 510.377 4.570 50 0 KJAAHN COc1ccc([C@@H]2NN(C(=O)c3ccc(C)cc3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)cc1 ZINC000101263126 554697719 /nfs/dbraw/zinc/69/77/19/554697719.db2.gz RHWGIEUEWUDEIY-RJGXRXQPSA-N 0 3 510.377 4.570 50 0 KJAAHN Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]32)cc1 ZINC000101263137 554697898 /nfs/dbraw/zinc/69/78/98/554697898.db2.gz URCPKWWDDFCQLJ-FSSWDIPSSA-N 0 3 524.802 4.671 50 0 KJAAHN O=C(C1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000101329083 554730295 /nfs/dbraw/zinc/73/02/95/554730295.db2.gz XWOSSMHVLNCREU-UHFFFAOYSA-N 0 3 544.161 4.686 50 0 KJAAHN Cc1ccccc1Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)c1=O ZINC000101329995 554730704 /nfs/dbraw/zinc/73/07/04/554730704.db2.gz XZNMOMZIWWSYFR-UHFFFAOYSA-N 0 3 572.709 4.963 50 0 KJAAHN O=C(Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)c1=O)c1ccc(F)cc1 ZINC000101330005 554730664 /nfs/dbraw/zinc/73/06/64/554730664.db2.gz BSSIXDBBUHTHBP-UHFFFAOYSA-N 0 3 604.682 4.628 50 0 KJAAHN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccccc2Cl)c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000101330349 554731238 /nfs/dbraw/zinc/73/12/38/554731238.db2.gz WEIKUAKDKLLMMR-UHFFFAOYSA-N 0 3 559.110 4.816 50 0 KJAAHN Cc1ccc(C)c(Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)c1 ZINC000101330352 554731272 /nfs/dbraw/zinc/73/12/72/554731272.db2.gz NOWAUXYDKXTYQL-UHFFFAOYSA-N 0 3 552.719 4.779 50 0 KJAAHN Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)c2=O)c1 ZINC000101330519 554731209 /nfs/dbraw/zinc/73/12/09/554731209.db2.gz OAIXDALCNTTXIS-UHFFFAOYSA-N 0 3 615.734 4.553 50 0 KJAAHN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2Cl)c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000101330527 554731253 /nfs/dbraw/zinc/73/12/53/554731253.db2.gz NCWVDLIKCMNUNS-UHFFFAOYSA-N 0 3 577.100 4.955 50 0 KJAAHN Cc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)c1=O ZINC000101330639 554731560 /nfs/dbraw/zinc/73/15/60/554731560.db2.gz AWGJBDJHOSODHS-UHFFFAOYSA-N 0 3 615.734 4.553 50 0 KJAAHN Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000101340972 554735349 /nfs/dbraw/zinc/73/53/49/554735349.db2.gz SFSHDUFWMWEENB-LYZGTLIUSA-N 0 3 558.169 4.969 50 0 KJAAHN Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000101340974 554735460 /nfs/dbraw/zinc/73/54/60/554735460.db2.gz SFSHDUFWMWEENB-PIKZIKFNSA-N 0 3 558.169 4.969 50 0 KJAAHN Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341067 554735258 /nfs/dbraw/zinc/73/52/58/554735258.db2.gz OGLOYWRHCATQHZ-MUUNZHRXSA-N 0 3 558.169 4.971 50 0 KJAAHN Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341070 554735282 /nfs/dbraw/zinc/73/52/82/554735282.db2.gz OGLOYWRHCATQHZ-NDEPHWFRSA-N 0 3 558.169 4.971 50 0 KJAAHN Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341076 554735366 /nfs/dbraw/zinc/73/53/66/554735366.db2.gz KUYMYAXDHLLKHV-HHHXNRCGSA-N 0 3 544.142 4.581 50 0 KJAAHN Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341080 554735269 /nfs/dbraw/zinc/73/52/69/554735269.db2.gz KUYMYAXDHLLKHV-MHZLTWQESA-N 0 3 544.142 4.581 50 0 KJAAHN O=C(CCN1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341150 554735703 /nfs/dbraw/zinc/73/57/03/554735703.db2.gz GBGFMSOPROSQRR-HHHXNRCGSA-N 0 3 544.142 4.662 50 0 KJAAHN O=C(CCN1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341151 554735621 /nfs/dbraw/zinc/73/56/21/554735621.db2.gz GBGFMSOPROSQRR-MHZLTWQESA-N 0 3 544.142 4.662 50 0 KJAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccccn3)C[C@@H]2CCC(=O)Nc2ccc(C)cc2)CC1 ZINC000101345095 554737078 /nfs/dbraw/zinc/73/70/78/554737078.db2.gz RWDVEYOCMZFOJB-LITSAYRRSA-N 0 3 527.713 4.830 50 0 KJAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccccn3)C[C@@H]2CCC(=O)Nc2cccc(C)c2)CC1 ZINC000101345168 554737101 /nfs/dbraw/zinc/73/71/01/554737101.db2.gz MJFCZPIOXCGZSH-LITSAYRRSA-N 0 3 527.713 4.830 50 0 KJAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCCc2ccccn2)CC1 ZINC000101346036 554737407 /nfs/dbraw/zinc/73/74/07/554737407.db2.gz UQORDMPWGRRQIY-BHBYDHKZSA-N 0 3 576.185 4.895 50 0 KJAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccccn3)C[C@@H]2CCC(=O)NC2CCCCCC2)CC1 ZINC000101346083 554737398 /nfs/dbraw/zinc/73/73/98/554737398.db2.gz QEPBYKCAQPUTFQ-LITSAYRRSA-N 0 3 533.761 4.722 50 0 KJAAHN COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NC4CCCCC4)C(=O)N32)cc1Cl ZINC000101385426 554749415 /nfs/dbraw/zinc/74/94/15/554749415.db2.gz MJXXWHWCKZVTLP-OAQYLSRUSA-N 0 3 554.072 4.518 50 0 KJAAHN COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)NC4CCCCC4)C(=O)N32)cc1Cl ZINC000101385428 554749471 /nfs/dbraw/zinc/74/94/71/554749471.db2.gz MJXXWHWCKZVTLP-NRFANRHFSA-N 0 3 554.072 4.518 50 0 KJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000101385683 554749914 /nfs/dbraw/zinc/74/99/14/554749914.db2.gz UFOJMOOYQZEDNK-RUZDIDTESA-N 0 3 544.080 4.971 50 0 KJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000101385685 554749934 /nfs/dbraw/zinc/74/99/34/554749934.db2.gz UFOJMOOYQZEDNK-VWLOTQADSA-N 0 3 544.080 4.971 50 0 KJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000101385702 554750174 /nfs/dbraw/zinc/75/01/74/554750174.db2.gz VGQLXTSCJCAJLM-RUZDIDTESA-N 0 3 544.080 4.971 50 0 KJAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000101385704 554750199 /nfs/dbraw/zinc/75/01/99/554750199.db2.gz VGQLXTSCJCAJLM-VWLOTQADSA-N 0 3 544.080 4.971 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000101385869 554750585 /nfs/dbraw/zinc/75/05/85/554750585.db2.gz JSOINJDDWYAJHN-IZLXSDGUSA-N 0 3 594.741 4.843 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000101385871 554750447 /nfs/dbraw/zinc/75/04/47/554750447.db2.gz JSOINJDDWYAJHN-VSGBNLITSA-N 0 3 594.741 4.843 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000101385873 554750578 /nfs/dbraw/zinc/75/05/78/554750578.db2.gz JSOINJDDWYAJHN-NSOVKSMOSA-N 0 3 594.741 4.843 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000101385875 554750473 /nfs/dbraw/zinc/75/04/73/554750473.db2.gz JSOINJDDWYAJHN-WUFINQPMSA-N 0 3 594.741 4.843 50 0 KJAAHN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1 ZINC000101385877 554750544 /nfs/dbraw/zinc/75/05/44/554750544.db2.gz HIWDGKRJUZEDOF-MUUNZHRXSA-N 0 3 594.741 4.879 50 0 KJAAHN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1 ZINC000101385879 554750480 /nfs/dbraw/zinc/75/04/80/554750480.db2.gz HIWDGKRJUZEDOF-NDEPHWFRSA-N 0 3 594.741 4.879 50 0 KJAAHN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@H](C(=O)NCCCN2CCN(c3ccccc3F)CC2)C1 ZINC000101417366 554766223 /nfs/dbraw/zinc/76/62/23/554766223.db2.gz HUOSIUBRPLRZQH-DEOSSOPVSA-N 0 3 554.110 4.983 50 0 KJAAHN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@@H](C(=O)NCCCN2CCN(c3ccccc3F)CC2)C1 ZINC000101417369 554766259 /nfs/dbraw/zinc/76/62/59/554766259.db2.gz HUOSIUBRPLRZQH-XMMPIXPASA-N 0 3 554.110 4.983 50 0 KJAAHN CCN1CCN(c2ccc(NC(=O)CCc3c(C)nc4cc(-c5ccc(OC)cc5OC)nn4c3C)cc2)CC1 ZINC000101419367 554766727 /nfs/dbraw/zinc/76/67/27/554766727.db2.gz LCFJPIOEODJDDG-UHFFFAOYSA-N 0 3 542.684 4.744 50 0 KJAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000101422918 554767697 /nfs/dbraw/zinc/76/76/97/554767697.db2.gz MXERLBGTKZXPMK-UHFFFAOYSA-N 0 3 567.646 4.637 50 0 KJAAHN COc1ccc(CN2C[C@H](Sc3ncccn3)C[C@H]2C(=O)N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c(OC)c1C ZINC000101425054 554768220 /nfs/dbraw/zinc/76/82/20/554768220.db2.gz LVKOKUAKZBSRSQ-UXAZTYALSA-N 0 3 591.822 4.506 50 0 KJAAHN COc1ccc(-n2nc(C(=O)NCCCN(C)Cc3ccccc3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101440892 554773189 /nfs/dbraw/zinc/77/31/89/554773189.db2.gz CKCDGGICETVIPX-UHFFFAOYSA-N 0 3 544.055 4.791 50 0 KJAAHN CCn1cc(C(=O)NCCN(Cc2ccccc2)C(C)C)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000101447930 554774802 /nfs/dbraw/zinc/77/48/02/554774802.db2.gz RBSSKEJFFYAMSL-UHFFFAOYSA-N 0 3 566.768 4.615 50 0 KJAAHN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](C(=O)NCCCN2CCN(c3ccccc3F)CC2)C1 ZINC000101450495 554775470 /nfs/dbraw/zinc/77/54/70/554775470.db2.gz HRIPFQRCMDRYKY-DEOSSOPVSA-N 0 3 554.110 4.983 50 0 KJAAHN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](C(=O)NCCCN2CCN(c3ccccc3F)CC2)C1 ZINC000101450499 554775410 /nfs/dbraw/zinc/77/54/10/554775410.db2.gz HRIPFQRCMDRYKY-XMMPIXPASA-N 0 3 554.110 4.983 50 0 KJAAHN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000101450504 554775488 /nfs/dbraw/zinc/77/54/88/554775488.db2.gz FSNZHUPBSPBYOZ-DEOSSOPVSA-N 0 3 554.110 4.983 50 0 KJAAHN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000101450508 554775491 /nfs/dbraw/zinc/77/54/91/554775491.db2.gz FSNZHUPBSPBYOZ-XMMPIXPASA-N 0 3 554.110 4.983 50 0 KJAAHN CN1CCN(C(=O)CCc2cn(CN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c3ccccc23)CC1 ZINC000101478093 554782865 /nfs/dbraw/zinc/78/28/65/554782865.db2.gz SEAAAQPVONHCFN-UHFFFAOYSA-N 0 3 571.716 4.991 50 0 KJAAHN Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000101500375 554788264 /nfs/dbraw/zinc/78/82/64/554788264.db2.gz AJZRARCSZABLDT-CSKARUKUSA-N 0 3 584.689 4.613 50 0 KJAAHN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000101500417 554788289 /nfs/dbraw/zinc/78/82/89/554788289.db2.gz ZJISNEVCOSXQJB-OUKQBFOZSA-N 0 3 562.736 4.643 50 0 KJAAHN COc1cc([C@@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000101554851 554796658 /nfs/dbraw/zinc/79/66/58/554796658.db2.gz QYDYPIPRXUGGGL-HHHXNRCGSA-N 0 3 543.664 4.580 50 0 KJAAHN COc1cc([C@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000101554859 554796629 /nfs/dbraw/zinc/79/66/29/554796629.db2.gz QYDYPIPRXUGGGL-MHZLTWQESA-N 0 3 543.664 4.580 50 0 KJAAHN CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCN4CCCCCC4)CC3)s2)cc1 ZINC000101575341 554798659 /nfs/dbraw/zinc/79/86/59/554798659.db2.gz RWQMOXBOUJQCJS-UHFFFAOYSA-N 0 3 551.761 4.548 50 0 KJAAHN CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCN4CCCC[C@@H]4C)CC3)s2)cc1 ZINC000101575509 554799120 /nfs/dbraw/zinc/79/91/20/554799120.db2.gz ULJRITTZPBQPET-QFIPXVFZSA-N 0 3 551.761 4.547 50 0 KJAAHN CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCN4CCCC[C@H]4C)CC3)s2)cc1 ZINC000101575516 554799034 /nfs/dbraw/zinc/79/90/34/554799034.db2.gz ULJRITTZPBQPET-JOCHJYFZSA-N 0 3 551.761 4.547 50 0 KJAAHN CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCCN4CCN(Cc5ccccc5)CC4)CC3)s2)cc1 ZINC000101575705 554799101 /nfs/dbraw/zinc/79/91/01/554799101.db2.gz SNXLYGDHNQBBNG-UHFFFAOYSA-N 0 3 642.874 4.880 50 0 KJAAHN CC(=O)Oc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590306 554802525 /nfs/dbraw/zinc/80/25/25/554802525.db2.gz XJOPJYXYFWDENA-HEFUCBFLSA-N 0 3 555.590 4.863 50 0 KJAAHN CC(=O)Oc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101590317 554802491 /nfs/dbraw/zinc/80/24/91/554802491.db2.gz XJOPJYXYFWDENA-WFPUBZAHSA-N 0 3 555.590 4.863 50 0 KJAAHN O=C1C[C@@H](N2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(N2C(=O)C[C@H](N3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000101596764 554803328 /nfs/dbraw/zinc/80/33/28/554803328.db2.gz POTHIAUAXXFKSJ-AQOUDTPCSA-N 0 3 618.778 4.860 50 0 KJAAHN COc1ccccc1CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1C1CCN(Cc2ccccc2)CC1 ZINC000101618647 554806729 /nfs/dbraw/zinc/80/67/29/554806729.db2.gz DRXRBIUBDNBGGM-MGBGTMOVSA-N 0 3 536.676 4.845 50 0 KJAAHN COc1ccccc1CNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1C1CCN(Cc2ccccc2)CC1 ZINC000101618651 554806647 /nfs/dbraw/zinc/80/66/47/554806647.db2.gz DRXRBIUBDNBGGM-XIFFEERXSA-N 0 3 536.676 4.845 50 0 KJAAHN CCN(CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000101642116 554814434 /nfs/dbraw/zinc/81/44/34/554814434.db2.gz SWZWUFGRXCYEOS-UHFFFAOYSA-N 0 3 629.589 4.600 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@H](c2ccc(SC)cc2)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000101645320 554815356 /nfs/dbraw/zinc/81/53/56/554815356.db2.gz MNWWZZSIMSKFSL-SGNDLWITSA-N 0 3 566.477 4.830 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@H](c2ccccc2OCC)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000101645383 554815368 /nfs/dbraw/zinc/81/53/68/554815368.db2.gz PFPLKXKFYKWWIW-DSITVLBTSA-N 0 3 564.436 4.506 50 0 KJAAHN CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccccc2OCC)cc1 ZINC000101645383 554815366 /nfs/dbraw/zinc/81/53/66/554815366.db2.gz PFPLKXKFYKWWIW-DSITVLBTSA-N 0 3 564.436 4.506 50 0 KJAAHN COCCCN(C(=O)c1ccc(-c2ccccc2OC)nc1N1CCN(c2ccccc2F)CC1)C1CCN(C)CC1 ZINC000101666315 554822603 /nfs/dbraw/zinc/82/26/03/554822603.db2.gz MNOVJZNPONZZCK-UHFFFAOYSA-N 0 3 575.729 4.796 50 0 KJAAHN COc1ccc(Br)cc1CNC(=O)CNC(=S)N1CCN(Cc2ccc(C)cc2)C2(CCCCC2)C1 ZINC000101685148 554829445 /nfs/dbraw/zinc/82/94/45/554829445.db2.gz RZBUPTWPKACLIJ-UHFFFAOYSA-N 0 3 573.601 4.778 50 0 KJAAHN CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCCN(C)Cc4ccccc4)c3c2)CC1 ZINC000101687776 554829962 /nfs/dbraw/zinc/82/99/62/554829962.db2.gz HMRIEZXARWTMFW-UHFFFAOYSA-N 0 3 557.720 4.579 50 0 KJAAHN O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1)NCc1cccnc1 ZINC000101888717 554846210 /nfs/dbraw/zinc/84/62/10/554846210.db2.gz IVNFFUKKLKLRLS-LITSAYRRSA-N 0 3 550.122 4.983 50 0 KJAAHN O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1N1CCN(c2ccccc2F)CC1)NCc1cccnc1 ZINC000101890172 554846479 /nfs/dbraw/zinc/84/64/79/554846479.db2.gz CNAQGCDXSIKDGG-LITSAYRRSA-N 0 3 550.122 4.983 50 0 KJAAHN COc1ccc(C(=O)N2CCN(CCOc3ccc(CN(C)Cc4ccc5ncccc5c4)cc3)CC2)cc1OC ZINC000101900738 554847403 /nfs/dbraw/zinc/84/74/03/554847403.db2.gz JSQUHFDGEPYSQJ-UHFFFAOYSA-N 0 3 554.691 4.721 50 0 KJAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)N(C)Cc2cscn2)CC1 ZINC000101960686 554853599 /nfs/dbraw/zinc/85/35/99/554853599.db2.gz HGFIVBSIYFGRKQ-XTEPFMGCSA-N 0 3 547.769 4.603 50 0 KJAAHN COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)CN(Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000101996704 554865395 /nfs/dbraw/zinc/86/53/95/554865395.db2.gz VCTAZFCTKXOUEH-RRPNLBNLSA-N 0 3 557.691 4.594 50 0 KJAAHN COCCCN(C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2cccc4ccccc42)C3=O)CC1)C1CCN(C)CC1 ZINC000102001145 554865999 /nfs/dbraw/zinc/86/59/99/554865999.db2.gz NOFAURJUBSLCRL-UHFFFAOYSA-N 0 3 582.745 4.812 50 0 KJAAHN COc1cccc(CN2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)N3CCC(C)CC3)C2)c1OC ZINC000102011418 554866897 /nfs/dbraw/zinc/86/68/97/554866897.db2.gz UECIXLPSKDONPL-LITSAYRRSA-N 0 3 566.762 4.894 50 0 KJAAHN COc1cccc(CN[C@H]2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(Cc3ccccc3)C2)c1OC ZINC000102015754 554867160 /nfs/dbraw/zinc/86/71/60/554867160.db2.gz LXMJGYPBLDEOGC-XCZPVHLTSA-N 0 3 582.667 4.804 50 0 KJAAHN COC(=O)CC[C@H]1CN(Cc2ccc(OC)c(C)c2OC)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102019290 554867177 /nfs/dbraw/zinc/86/71/77/554867177.db2.gz YBLIQASHVHJFBO-BKMJKUGQSA-N 0 3 563.661 4.997 50 0 KJAAHN COc1ccc(CN2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3ccc(C)cc3)C2)cc1OC ZINC000102048564 554870766 /nfs/dbraw/zinc/87/07/66/554870766.db2.gz QZEVDSSFOUTDDQ-WUFINQPMSA-N 0 3 541.692 4.894 50 0 KJAAHN COc1ccc(CN[C@@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3cccc(Cl)c3)C2)c(C)c1C ZINC000102068729 554873644 /nfs/dbraw/zinc/87/36/44/554873644.db2.gz KRZINKLTMLGHRP-SXOMAYOGSA-N 0 3 550.099 4.786 50 0 KJAAHN COc1ccc(CN[C@@H]2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(Cc3ccccc3)C2)cc1O ZINC000102135526 1066218657 /nfs/dbraw/zinc/21/86/57/1066218657.db2.gz TZKJUSCBBGQGCE-VPUSJEBWSA-N 0 3 568.640 4.501 50 0 KJAAHN O=C([C@@H]1C[C@H](Sc2ncccn2)CN1Cc1c(F)cccc1Cl)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 ZINC000102141844 554888604 /nfs/dbraw/zinc/88/86/04/554888604.db2.gz DWWQXDSPDSMOSA-NNPPXWSMSA-N 0 3 570.178 4.973 50 0 KJAAHN COc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)NC4CCN(Cc5ccccc5)CC4)n3c2=O)cc1C ZINC000102166662 554890402 /nfs/dbraw/zinc/89/04/02/554890402.db2.gz QBAYJRJCUANOCO-UHFFFAOYSA-N 0 3 582.730 4.557 50 0 KJAAHN COc1ccc(CN[C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)c(OC)c1OC ZINC000102168985 554890962 /nfs/dbraw/zinc/89/09/62/554890962.db2.gz DBFXYXGNFKCUDP-AHWVRZQESA-N 0 3 556.078 4.597 50 0 KJAAHN CCN(CC)CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000102191837 554894827 /nfs/dbraw/zinc/89/48/27/554894827.db2.gz LOUDRRBBVKVKKV-UHFFFAOYSA-N 0 3 613.590 4.982 50 0 KJAAHN CCN(CC)CCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000102194061 554895434 /nfs/dbraw/zinc/89/54/34/554895434.db2.gz XPMVUVLBEMPQPS-UHFFFAOYSA-N 0 3 599.563 4.592 50 0 KJAAHN O=C(CN(C[C@@H](O)COCc1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000102275500 554906432 /nfs/dbraw/zinc/90/64/32/554906432.db2.gz GKDPDFJSNIDVSF-NAKRPHOHSA-N 0 3 538.685 4.682 50 0 KJAAHN O=C(CN(C[C@H](O)COCc1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000102275505 554906393 /nfs/dbraw/zinc/90/63/93/554906393.db2.gz GKDPDFJSNIDVSF-LSYYVWMOSA-N 0 3 538.685 4.682 50 0 KJAAHN COc1ccc(CN2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1OC ZINC000102307536 554909506 /nfs/dbraw/zinc/90/95/06/554909506.db2.gz ZWCIVKQHLKOFMW-IZZNHLLZSA-N 0 3 545.655 4.725 50 0 KJAAHN COC(=O)CC[C@H]1CN(Cc2ccc(OC)cc2OC)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102312061 554909742 /nfs/dbraw/zinc/90/97/42/554909742.db2.gz KEYQLHXPHXDSIW-HFZDXXHNSA-N 0 3 549.634 4.689 50 0 KJAAHN Cn1cnnc1C1CCN(Cc2cc(-c3ccccc3)ccc2OCC(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000102312214 554909776 /nfs/dbraw/zinc/90/97/76/554909776.db2.gz HTPXAWXABONXAW-BUALBWRZSA-N 0 3 511.670 4.569 50 0 KJAAHN O=C([C@@H]1C[C@@H](NCc2ccc(F)cc2)CN1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102374541 554917871 /nfs/dbraw/zinc/91/78/71/554917871.db2.gz AKBBJGGXDLEYIY-IAPPQJPRSA-N 0 3 540.605 4.926 50 0 KJAAHN COC(=O)CC[C@H]1CN(Cc2coc3ccccc3c2=O)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102382567 554918562 /nfs/dbraw/zinc/91/85/62/554918562.db2.gz XDGVKMJGUSCQCE-HFZDXXHNSA-N 0 3 557.613 4.778 50 0 KJAAHN COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)CN(Cc3ccc(OC)c(OC)c3)C2)cc1OC ZINC000102385981 554918702 /nfs/dbraw/zinc/91/87/02/554918702.db2.gz SEQKREQNIKVCOK-RRPNLBNLSA-N 0 3 587.717 4.603 50 0 KJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000102481268 554937035 /nfs/dbraw/zinc/93/70/35/554937035.db2.gz AYGFAXSZSPFHDH-LJQANCHMSA-N 0 3 527.509 4.854 50 0 KJAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000102481272 554937025 /nfs/dbraw/zinc/93/70/25/554937025.db2.gz AYGFAXSZSPFHDH-IBGZPJMESA-N 0 3 527.509 4.854 50 0 KJAAHN COc1ccc(CN2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCCc3ccccc3)C2)cc1OC ZINC000102526377 554952206 /nfs/dbraw/zinc/95/22/06/554952206.db2.gz YVVGSTRLSMMXEM-WUFINQPMSA-N 0 3 541.692 4.628 50 0 KJAAHN Cn1cc(C(=O)N2CCN(CCOc3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)CC2)c(=O)c2ccccc21 ZINC000102567249 554970071 /nfs/dbraw/zinc/97/00/71/554970071.db2.gz OXXGHEGNUCSDPL-UHFFFAOYSA-N 0 3 578.757 4.830 50 0 KJAAHN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N23)cc1 ZINC000102575712 554971554 /nfs/dbraw/zinc/97/15/54/554971554.db2.gz OUKRHPXWNNILHM-BHDXBOSCSA-N 0 3 534.660 4.526 50 0 KJAAHN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N32)cc1 ZINC000102575716 554971516 /nfs/dbraw/zinc/97/15/16/554971516.db2.gz OUKRHPXWNNILHM-NYDCQLBNSA-N 0 3 534.660 4.526 50 0 KJAAHN COc1ccc(CN[C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)c(OC)c1C ZINC000102601642 1066223550 /nfs/dbraw/zinc/22/35/50/1066223550.db2.gz BLIQSFWYWJDIEI-BDYUSTAISA-N 0 3 540.079 4.896 50 0 KJAAHN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCN4CCCCC4)n3c2=O)nn1-c1ccc(Cl)c(Cl)c1 ZINC000102603464 554978179 /nfs/dbraw/zinc/97/81/79/554978179.db2.gz TVPSRKTTXZNONS-UHFFFAOYSA-N 0 3 559.523 4.677 50 0 KJAAHN Cc1cc(-c2c(C)nc3scc(CC(=O)NC4CCN(Cc5ccccc5)CC4)n3c2=O)nn1-c1cc(F)ccc1F ZINC000102605539 554978450 /nfs/dbraw/zinc/97/84/50/554978450.db2.gz KEGBNGHFXBWJQH-UHFFFAOYSA-N 0 3 588.684 4.827 50 0 KJAAHN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N(CCN(C)C)Cc2cccs2)CC1 ZINC000102612945 554982313 /nfs/dbraw/zinc/98/23/13/554982313.db2.gz WZEQMXAMKNGBHA-VAWYXSNFSA-N 0 3 556.754 4.514 50 0 KJAAHN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000102613555 554983079 /nfs/dbraw/zinc/98/30/79/554983079.db2.gz ZKMXVNYUKQDOQY-DHZHZOJOSA-N 0 3 598.716 4.861 50 0 KJAAHN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000102613560 554983072 /nfs/dbraw/zinc/98/30/72/554983072.db2.gz MSYYCGJFDKDBAO-ZHACJKMWSA-N 0 3 598.716 4.861 50 0 KJAAHN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(CN3CCCC3)c2)CC1 ZINC000102613584 554983373 /nfs/dbraw/zinc/98/33/73/554983373.db2.gz KGUYZFYXODVUPB-VAWYXSNFSA-N 0 3 552.672 4.928 50 0 KJAAHN Cc1noc(/C=C/c2c(C)cc(C)cc2C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000102613704 554983341 /nfs/dbraw/zinc/98/33/41/554983341.db2.gz OGAPHKPUQIBHDM-ZHACJKMWSA-N 0 3 568.784 4.956 50 0 KJAAHN CCN(CC)CCN(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000102615040 554984294 /nfs/dbraw/zinc/98/42/94/554984294.db2.gz LSEKUOQBZQTXRC-UHFFFAOYSA-N 0 3 583.564 4.973 50 0 KJAAHN O=C(CC[C@H]1CN(Cc2ccccc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)NC[C@@H]1CCCO1 ZINC000102656665 554999264 /nfs/dbraw/zinc/99/92/64/554999264.db2.gz PSVSJCIBYULYLS-OWPQXHQJSA-N 0 3 558.689 4.794 50 0 KJAAHN O=C(CC[C@H]1CN(Cc2ccccc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)NC[C@H]1CCCO1 ZINC000102656668 554999223 /nfs/dbraw/zinc/99/92/23/554999223.db2.gz PSVSJCIBYULYLS-RFYMFKDESA-N 0 3 558.689 4.794 50 0 KJAAHN COc1ccc(CN2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cc1OC ZINC000102664077 555001108 /nfs/dbraw/zinc/00/11/08/555001108.db2.gz TUYREYQZMNZRIK-BJKOFHAPSA-N 0 3 558.654 4.760 50 0 KJAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)cc1 ZINC000102667288 1066224763 /nfs/dbraw/zinc/22/47/63/1066224763.db2.gz LZEHZVCGSOYDHY-UHFFFAOYSA-N 0 3 543.737 4.972 50 0 KJAAHN COc1cc2nc(N(C)C)c(CN(CCN(C)C)C(=O)c3ccccc3C(F)(F)F)cc2c(OC)c1OC ZINC000102672287 555002893 /nfs/dbraw/zinc/00/28/93/555002893.db2.gz IRFYUBSYYBQUKD-UHFFFAOYSA-N 0 3 534.579 4.549 50 0 KJAAHN COC(=O)CC[C@H]1CN(Cc2cccc(OC)c2OC)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102690116 555008001 /nfs/dbraw/zinc/00/80/01/555008001.db2.gz IBTOQIMYMWFUKG-SQJMNOBHSA-N 0 3 549.634 4.689 50 0 KJAAHN CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCCCN4CCN(Cc5ccccc5)CC4)c3c2)CC1 ZINC000102690162 555007978 /nfs/dbraw/zinc/00/79/78/555007978.db2.gz ISXBRAQZHAZGDA-UHFFFAOYSA-N 0 3 626.827 4.655 50 0 KJAAHN CCN1CCN(C2CCN(C(=O)[C@@H]3C[C@H](Sc4ccccn4)CN3Cc3ccc4ccccc4c3)CC2)CC1 ZINC000102695641 555011115 /nfs/dbraw/zinc/01/11/15/555011115.db2.gz YLCXWNFILJLTMJ-KYJUHHDHSA-N 0 3 543.781 4.599 50 0 KJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc(OC)cc2)cc1 ZINC000102698338 555012215 /nfs/dbraw/zinc/01/22/15/555012215.db2.gz DPSCPAUNQJIQFK-DNVJHFABSA-N 0 3 509.356 4.517 50 0 KJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@@H]3C2=O)cc1 ZINC000102727430 555022352 /nfs/dbraw/zinc/02/23/52/555022352.db2.gz SLFHHAKBDIOKSZ-FDFHNCONSA-N 0 3 517.994 4.912 50 0 KJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@H]3C2=O)cc1 ZINC000102727434 555022307 /nfs/dbraw/zinc/02/23/07/555022307.db2.gz SLFHHAKBDIOKSZ-BHIFYINESA-N 0 3 517.994 4.912 50 0 KJAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@@H]3C2=O)c1 ZINC000102728463 555022827 /nfs/dbraw/zinc/02/28/27/555022827.db2.gz OOMMYEXRWKFMJF-BHDDXSALSA-N 0 3 517.994 4.912 50 0 KJAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@H]3C2=O)c1 ZINC000102728467 555022817 /nfs/dbraw/zinc/02/28/17/555022817.db2.gz OOMMYEXRWKFMJF-YPAWHYETSA-N 0 3 517.994 4.912 50 0 KJAAHN O=C(Nc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccncc1 ZINC000102728626 555022881 /nfs/dbraw/zinc/02/28/81/555022881.db2.gz YCZLGTKDVNXXSH-UHSQPCAPSA-N 0 3 602.739 4.514 50 0 KJAAHN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000102730748 555023533 /nfs/dbraw/zinc/02/35/33/555023533.db2.gz YSHCDVHRSBXTKW-YTFSRNRJSA-N 0 3 509.356 4.517 50 0 KJAAHN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102730748 555023532 /nfs/dbraw/zinc/02/35/32/555023532.db2.gz YSHCDVHRSBXTKW-YTFSRNRJSA-N 0 3 509.356 4.517 50 0 KJAAHN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c1 ZINC000102730756 555023523 /nfs/dbraw/zinc/02/35/23/555023523.db2.gz YSHCDVHRSBXTKW-DNVJHFABSA-N 0 3 509.356 4.517 50 0 KJAAHN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102730756 555023521 /nfs/dbraw/zinc/02/35/21/555023521.db2.gz YSHCDVHRSBXTKW-DNVJHFABSA-N 0 3 509.356 4.517 50 0 KJAAHN O=c1sc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000102736457 555026177 /nfs/dbraw/zinc/02/61/77/555026177.db2.gz LCXZCSHRMYPTQK-PCCBWWKXSA-N 0 3 521.957 4.743 50 0 KJAAHN O=c1sc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000102736459 555026118 /nfs/dbraw/zinc/02/61/18/555026118.db2.gz LCXZCSHRMYPTQK-QHAWAJNXSA-N 0 3 521.957 4.743 50 0 KJAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@@H]2C1=O ZINC000102736707 555026197 /nfs/dbraw/zinc/02/61/97/555026197.db2.gz YFLRBLNXCVATHI-FDFHNCONSA-N 0 3 517.994 4.912 50 0 KJAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@H]2C1=O ZINC000102736709 555026151 /nfs/dbraw/zinc/02/61/51/555026151.db2.gz YFLRBLNXCVATHI-BHIFYINESA-N 0 3 517.994 4.912 50 0 KJAAHN COc1ccc(CN2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCc3cc(C)cc(C)c3)C2)cc1OC ZINC000102737405 555026713 /nfs/dbraw/zinc/02/67/13/555026713.db2.gz XIDUNQRPGPFOBU-LOSJGSFVSA-N 0 3 533.644 4.853 50 0 KJAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102739192 555027640 /nfs/dbraw/zinc/02/76/40/555027640.db2.gz GLCNHWBHNNLGNE-JCYYIGJDSA-N 0 3 520.541 4.966 50 0 KJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102739605 555028252 /nfs/dbraw/zinc/02/82/52/555028252.db2.gz PZHYBGUBOYUARH-GMQQYTKMSA-N 0 3 544.560 4.645 50 0 KJAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1 ZINC000102739819 555028583 /nfs/dbraw/zinc/02/85/83/555028583.db2.gz QGGHOGJQZWHCFH-HZFUHODCSA-N 0 3 540.597 4.814 50 0 KJAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)c1 ZINC000102739823 555028696 /nfs/dbraw/zinc/02/86/96/555028696.db2.gz QGGHOGJQZWHCFH-OZNIXHKMSA-N 0 3 540.597 4.814 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102740059 555028891 /nfs/dbraw/zinc/02/88/91/555028891.db2.gz HERBVXNVMOPEJB-RPWUZVMVSA-N 0 3 547.681 4.643 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102740061 555028881 /nfs/dbraw/zinc/02/88/81/555028881.db2.gz HERBVXNVMOPEJB-DNQXCXABSA-N 0 3 547.681 4.643 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102740063 555028861 /nfs/dbraw/zinc/02/88/61/555028861.db2.gz HERBVXNVMOPEJB-ZEQRLZLVSA-N 0 3 547.681 4.643 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102740066 555029103 /nfs/dbraw/zinc/02/91/03/555029103.db2.gz HERBVXNVMOPEJB-BJKOFHAPSA-N 0 3 547.681 4.643 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000102740218 555029038 /nfs/dbraw/zinc/02/90/38/555029038.db2.gz BIGUJUQYRJHRTR-RPBOFIJWSA-N 0 3 545.709 4.621 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000102740220 555029186 /nfs/dbraw/zinc/02/91/86/555029186.db2.gz BIGUJUQYRJHRTR-JWQCQUIFSA-N 0 3 545.709 4.621 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000102740224 555029136 /nfs/dbraw/zinc/02/91/36/555029136.db2.gz BIGUJUQYRJHRTR-DQEYMECFSA-N 0 3 545.709 4.621 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000102740227 555029117 /nfs/dbraw/zinc/02/91/17/555029117.db2.gz BIGUJUQYRJHRTR-LOSJGSFVSA-N 0 3 545.709 4.621 50 0 KJAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000102740320 555029347 /nfs/dbraw/zinc/02/93/47/555029347.db2.gz YOQWWPKGYIQFCM-UPRLRBBYSA-N 0 3 520.541 4.966 50 0 KJAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@H]2C1=O ZINC000102740322 555029369 /nfs/dbraw/zinc/02/93/69/555029369.db2.gz YOQWWPKGYIQFCM-JCYYIGJDSA-N 0 3 520.541 4.966 50 0 KJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4OC)[C@@H]3C2=O)cc1 ZINC000102742301 555031334 /nfs/dbraw/zinc/03/13/34/555031334.db2.gz USMLGOCMAVDZAG-GMQQYTKMSA-N 0 3 518.566 4.552 50 0 KJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4OC)[C@H]3C2=O)cc1 ZINC000102742305 555031287 /nfs/dbraw/zinc/03/12/87/555031287.db2.gz USMLGOCMAVDZAG-KWXIBIRDSA-N 0 3 518.566 4.552 50 0 KJAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@@H]3C2=O)c1 ZINC000102742748 555032578 /nfs/dbraw/zinc/03/25/78/555032578.db2.gz AYBMZNQKYRKQDE-HZFUHODCSA-N 0 3 540.597 4.814 50 0 KJAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@H]3C2=O)c1 ZINC000102742754 555032559 /nfs/dbraw/zinc/03/25/59/555032559.db2.gz AYBMZNQKYRKQDE-OZNIXHKMSA-N 0 3 540.597 4.814 50 0 KJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102743223 555033925 /nfs/dbraw/zinc/03/39/25/555033925.db2.gz HIWDNABESQCEPP-OYUWMTPXSA-N 0 3 544.560 4.645 50 0 KJAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C4CCCC4)CC3)N2[C@H]1c1ccc(Cl)cc1 ZINC000102743515 555034211 /nfs/dbraw/zinc/03/42/11/555034211.db2.gz DJCAMEQHRFDQAS-DEOSSOPVSA-N 0 3 515.079 4.565 50 0 KJAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C4CCCC4)CC3)N2[C@@H]1c1ccc(Cl)cc1 ZINC000102743517 555034252 /nfs/dbraw/zinc/03/42/52/555034252.db2.gz DJCAMEQHRFDQAS-XMMPIXPASA-N 0 3 515.079 4.565 50 0 KJAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102743937 555035040 /nfs/dbraw/zinc/03/50/40/555035040.db2.gz XITPCMNFQGWLBM-ZONZVBGPSA-N 0 3 502.567 4.934 50 0 KJAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000102744329 555035447 /nfs/dbraw/zinc/03/54/47/555035447.db2.gz IRHSOAZMWCCHOB-UPRLRBBYSA-N 0 3 540.597 4.814 50 0 KJAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C1=O ZINC000102744331 555035419 /nfs/dbraw/zinc/03/54/19/555035419.db2.gz IRHSOAZMWCCHOB-JCYYIGJDSA-N 0 3 540.597 4.814 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@H](c2ccc(Cl)cc2)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000102744805 555036215 /nfs/dbraw/zinc/03/62/15/555036215.db2.gz JNQBTWDSOBSRFN-VJBWXMMDSA-N 0 3 554.828 4.761 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@@H](c2ccc(Cl)cc2)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000102744810 555036125 /nfs/dbraw/zinc/03/61/25/555036125.db2.gz JNQBTWDSOBSRFN-ZLNRFVROSA-N 0 3 554.828 4.761 50 0 KJAAHN COc1cc(OC)c([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102744845 555036200 /nfs/dbraw/zinc/03/62/00/555036200.db2.gz BVYWYZXWCUQGJJ-JCYYIGJDSA-N 0 3 510.546 4.917 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@H](c2cccc(Cl)c2)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000102744954 555036375 /nfs/dbraw/zinc/03/63/75/555036375.db2.gz HESLAXFJYDRETO-VJBWXMMDSA-N 0 3 554.828 4.761 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@H](c2ccccc2Cl)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000102744973 555036487 /nfs/dbraw/zinc/03/64/87/555036487.db2.gz IFSOWNAICFQDNX-VJBWXMMDSA-N 0 3 554.828 4.761 50 0 KJAAHN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]32)cc1 ZINC000102745167 555036994 /nfs/dbraw/zinc/03/69/94/555036994.db2.gz YQGZMCXZOHZZFU-VJBWXMMDSA-N 0 3 538.829 4.925 50 0 KJAAHN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccccc4Cl)C(=O)[C@H]32)cc1 ZINC000102745176 555036986 /nfs/dbraw/zinc/03/69/86/555036986.db2.gz YQGZMCXZOHZZFU-VABKMULXSA-N 0 3 538.829 4.925 50 0 KJAAHN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 ZINC000102745209 555037030 /nfs/dbraw/zinc/03/70/30/555037030.db2.gz DQXZJFFQKXFJNL-SGNDLWITSA-N 0 3 518.411 4.580 50 0 KJAAHN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4cccc(C)c4)C(=O)[C@H]32)cc1 ZINC000102745277 555037245 /nfs/dbraw/zinc/03/72/45/555037245.db2.gz QSULRBWXLINHHW-HJOGWXRNSA-N 0 3 518.411 4.580 50 0 KJAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCN(Cc4ccccc4)CC3)N2[C@H]1c1ccsc1 ZINC000102745393 555037170 /nfs/dbraw/zinc/03/71/70/555037170.db2.gz JSUYYMJEKJXDSB-VWLOTQADSA-N 0 3 522.696 4.667 50 0 KJAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCN(Cc4ccccc4)CC3)N2[C@@H]1c1ccsc1 ZINC000102745397 555037231 /nfs/dbraw/zinc/03/72/31/555037231.db2.gz JSUYYMJEKJXDSB-RUZDIDTESA-N 0 3 522.696 4.667 50 0 KJAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCN(Cc4ccccc4)CC3)N2[C@H]1c1cccc(F)c1 ZINC000102745401 555037238 /nfs/dbraw/zinc/03/72/38/555037238.db2.gz ZXXXOBZCKPGMND-MHZLTWQESA-N 0 3 534.657 4.745 50 0 KJAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCN(Cc4ccccc4)CC3)N2[C@@H]1c1cccc(F)c1 ZINC000102745403 555037176 /nfs/dbraw/zinc/03/71/76/555037176.db2.gz ZXXXOBZCKPGMND-HHHXNRCGSA-N 0 3 534.657 4.745 50 0 KJAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000102745926 555038117 /nfs/dbraw/zinc/03/81/17/555038117.db2.gz JAFRYOZMXQRUJI-UPRLRBBYSA-N 0 3 520.541 4.966 50 0 KJAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000102745929 555038196 /nfs/dbraw/zinc/03/81/96/555038196.db2.gz JAFRYOZMXQRUJI-JCYYIGJDSA-N 0 3 520.541 4.966 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102746906 555039846 /nfs/dbraw/zinc/03/98/46/555039846.db2.gz GAQCLZDVMAHVPD-FTJBHMTQSA-N 0 3 585.686 4.519 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102746909 555039789 /nfs/dbraw/zinc/03/97/89/555039789.db2.gz GAQCLZDVMAHVPD-CLJLJLNGSA-N 0 3 585.686 4.519 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102746912 555039871 /nfs/dbraw/zinc/03/98/71/555039871.db2.gz GAQCLZDVMAHVPD-UIOOFZCWSA-N 0 3 585.686 4.519 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102746914 555039905 /nfs/dbraw/zinc/03/99/05/555039905.db2.gz GAQCLZDVMAHVPD-IZZNHLLZSA-N 0 3 585.686 4.519 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3OC)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102746955 555040149 /nfs/dbraw/zinc/04/01/49/555040149.db2.gz TXPTYNUZELKNJO-RSXGOPAZSA-N 0 3 585.686 4.519 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3OC)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102746961 555040125 /nfs/dbraw/zinc/04/01/25/555040125.db2.gz TXPTYNUZELKNJO-AOYPEHQESA-N 0 3 585.686 4.519 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3OC)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102746965 555040162 /nfs/dbraw/zinc/04/01/62/555040162.db2.gz TXPTYNUZELKNJO-AHWVRZQESA-N 0 3 585.686 4.519 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3OC)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102746969 555040103 /nfs/dbraw/zinc/04/01/03/555040103.db2.gz TXPTYNUZELKNJO-AZGAKELHSA-N 0 3 585.686 4.519 50 0 KJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000102751083 555044219 /nfs/dbraw/zinc/04/42/19/555044219.db2.gz PZOAVUVOTVTTCY-HZFUHODCSA-N 0 3 540.597 4.814 50 0 KJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@H]3C2=O)cc1 ZINC000102751085 555044153 /nfs/dbraw/zinc/04/41/53/555044153.db2.gz PZOAVUVOTVTTCY-OZNIXHKMSA-N 0 3 540.597 4.814 50 0 KJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000102751188 555044523 /nfs/dbraw/zinc/04/45/23/555044523.db2.gz MSCMGAYIEHZOGR-CCDWMCETSA-N 0 3 508.958 4.894 50 0 KJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000102751190 555044501 /nfs/dbraw/zinc/04/45/01/555044501.db2.gz MSCMGAYIEHZOGR-DSNGMDLFSA-N 0 3 508.958 4.894 50 0 KJAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102751487 555044483 /nfs/dbraw/zinc/04/44/83/555044483.db2.gz BZYYLYYTEBWSRW-ZONZVBGPSA-N 0 3 502.567 4.934 50 0 KJAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1O ZINC000102751856 555044842 /nfs/dbraw/zinc/04/48/42/555044842.db2.gz CTCQFSBMMNVBBQ-YPAWHYETSA-N 0 3 529.774 4.868 50 0 KJAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C1=O ZINC000102752257 555044868 /nfs/dbraw/zinc/04/48/68/555044868.db2.gz XPIBMGMTTNTAFQ-UPRLRBBYSA-N 0 3 540.597 4.814 50 0 KJAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C1=O ZINC000102752259 555044788 /nfs/dbraw/zinc/04/47/88/555044788.db2.gz XPIBMGMTTNTAFQ-JCYYIGJDSA-N 0 3 540.597 4.814 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1ccccc1OC ZINC000102752460 555045099 /nfs/dbraw/zinc/04/50/99/555045099.db2.gz CDDOBKJWQHHCGH-RSXGOPAZSA-N 0 3 569.687 4.553 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1ccccc1OC ZINC000102752463 555045086 /nfs/dbraw/zinc/04/50/86/555045086.db2.gz CDDOBKJWQHHCGH-AOYPEHQESA-N 0 3 569.687 4.553 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1ccccc1OC ZINC000102752465 555045174 /nfs/dbraw/zinc/04/51/74/555045174.db2.gz CDDOBKJWQHHCGH-AHWVRZQESA-N 0 3 569.687 4.553 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1ccccc1OC ZINC000102752468 555045106 /nfs/dbraw/zinc/04/51/06/555045106.db2.gz CDDOBKJWQHHCGH-AZGAKELHSA-N 0 3 569.687 4.553 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102752532 555045160 /nfs/dbraw/zinc/04/51/60/555045160.db2.gz DMSHGDUVUFDISL-FTJBHMTQSA-N 0 3 569.687 4.553 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102752534 555045131 /nfs/dbraw/zinc/04/51/31/555045131.db2.gz DMSHGDUVUFDISL-CLJLJLNGSA-N 0 3 569.687 4.553 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102752536 555045091 /nfs/dbraw/zinc/04/50/91/555045091.db2.gz DMSHGDUVUFDISL-UIOOFZCWSA-N 0 3 569.687 4.553 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1cccc(OC)c1 ZINC000102752538 555045113 /nfs/dbraw/zinc/04/51/13/555045113.db2.gz DMSHGDUVUFDISL-IZZNHLLZSA-N 0 3 569.687 4.553 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000102752559 555045118 /nfs/dbraw/zinc/04/51/18/555045118.db2.gz PVWOKZPOWRGZKR-SXOMAYOGSA-N 0 3 567.715 4.531 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000102752563 555045063 /nfs/dbraw/zinc/04/50/63/555045063.db2.gz PVWOKZPOWRGZKR-KAYWLYCHSA-N 0 3 567.715 4.531 50 0 KJAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000102752566 555045140 /nfs/dbraw/zinc/04/51/40/555045140.db2.gz PVWOKZPOWRGZKR-SVBPBHIXSA-N 0 3 567.715 4.531 50 0 KJAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCc1ccc(C)cc1 ZINC000102752571 555045155 /nfs/dbraw/zinc/04/51/55/555045155.db2.gz PVWOKZPOWRGZKR-RRPNLBNLSA-N 0 3 567.715 4.531 50 0 KJAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102753492 555045474 /nfs/dbraw/zinc/04/54/74/555045474.db2.gz OXSDCKPRHHQRMH-ZONZVBGPSA-N 0 3 502.567 4.934 50 0 KJAAHN C[C@@H]1C[C@H](C(=O)Oc2ccc([C@@H]3[C@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C(=O)C4ON3c3ccccc3)cc2)N(C)N1 ZINC000102754619 555046261 /nfs/dbraw/zinc/04/62/61/555046261.db2.gz PJAHPKZIAHIBAP-CADFFAPMSA-N 0 3 581.456 4.547 50 0 KJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000102758277 555050273 /nfs/dbraw/zinc/05/02/73/555050273.db2.gz WVIQMLLJZZBOCT-UPRLRBBYSA-N 0 3 540.597 4.814 50 0 KJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000102758279 555050343 /nfs/dbraw/zinc/05/03/43/555050343.db2.gz WVIQMLLJZZBOCT-JCYYIGJDSA-N 0 3 540.597 4.814 50 0 KJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000102758796 555050677 /nfs/dbraw/zinc/05/06/77/555050677.db2.gz DQBHENFMJQEKBL-NLJOTIRTSA-N 0 3 518.566 4.552 50 0 KJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 ZINC000102758801 555050641 /nfs/dbraw/zinc/05/06/41/555050641.db2.gz DQBHENFMJQEKBL-ONBPZOJHSA-N 0 3 518.566 4.552 50 0 KJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1Br ZINC000102759405 555051248 /nfs/dbraw/zinc/05/12/48/555051248.db2.gz DZNKLUCVFPQYRL-DNVJHFABSA-N 0 3 509.356 4.517 50 0 KJAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3OC)[C@@H]2C1=O ZINC000102759940 555051836 /nfs/dbraw/zinc/05/18/36/555051836.db2.gz JTIRNWDGRKBKGI-KMDXXIMOSA-N 0 3 523.383 4.908 50 0 KJAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3OC)[C@H]2C1=O ZINC000102759941 555051784 /nfs/dbraw/zinc/05/17/84/555051784.db2.gz JTIRNWDGRKBKGI-TZRRMPRUSA-N 0 3 523.383 4.908 50 0 KJAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc(OC)c1OC ZINC000102760116 555051918 /nfs/dbraw/zinc/05/19/18/555051918.db2.gz ORNQRVQPUKWWID-STROYTFGSA-N 0 3 510.546 4.917 50 0 KJAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC)c(Br)c3)[C@@H]2C1=O ZINC000102760442 555052163 /nfs/dbraw/zinc/05/21/63/555052163.db2.gz DEFWJFLZTDZMDE-RBZQAINGSA-N 0 3 523.383 4.908 50 0 KJAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC)c(Br)c3)[C@H]2C1=O ZINC000102760444 555052180 /nfs/dbraw/zinc/05/21/80/555052180.db2.gz DEFWJFLZTDZMDE-WXFUMESZSA-N 0 3 523.383 4.908 50 0 KJAAHN CCC1=C(C(=O)OC)[C@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)NCCN(C)C)=CSC2=N1 ZINC000102761354 555052642 /nfs/dbraw/zinc/05/26/42/555052642.db2.gz SOEWJCSFTVWSQG-SANMLTNESA-N 0 3 520.655 4.685 50 0 KJAAHN CCC1=C(C(=O)OC)[C@@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)NCCN(C)C)=CSC2=N1 ZINC000102761357 555052734 /nfs/dbraw/zinc/05/27/34/555052734.db2.gz SOEWJCSFTVWSQG-AREMUKBSSA-N 0 3 520.655 4.685 50 0 KJAAHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)c1 ZINC000102762454 555053361 /nfs/dbraw/zinc/05/33/61/555053361.db2.gz LZOAYYBRTWSPBI-KMDXXIMOSA-N 0 3 523.383 4.908 50 0 KJAAHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)c1 ZINC000102762457 555053452 /nfs/dbraw/zinc/05/34/52/555053452.db2.gz LZOAYYBRTWSPBI-TZRRMPRUSA-N 0 3 523.383 4.908 50 0 KJAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c(OC)c1OC ZINC000102762707 555053354 /nfs/dbraw/zinc/05/33/54/555053354.db2.gz BKVGQQYQSQAJSB-INNMJMHTSA-N 0 3 510.546 4.917 50 0 KJAAHN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCN3CCCC3)N2[C@@H]1c1ccc(OC)cc1 ZINC000102763001 555053781 /nfs/dbraw/zinc/05/37/81/555053781.db2.gz LCZMZMPLOFMZAQ-MUUNZHRXSA-N 0 3 546.693 4.573 50 0 KJAAHN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCN3CCCC3)N2[C@H]1c1ccc(OC)cc1 ZINC000102763002 555053763 /nfs/dbraw/zinc/05/37/63/555053763.db2.gz LCZMZMPLOFMZAQ-NDEPHWFRSA-N 0 3 546.693 4.573 50 0 KJAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4OC)[C@@H]3C2=O)cc1 ZINC000102766772 555055503 /nfs/dbraw/zinc/05/55/03/555055503.db2.gz UNGVCUZYNZMLNZ-HZFUHODCSA-N 0 3 532.593 4.942 50 0 KJAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4OC)[C@H]3C2=O)cc1 ZINC000102766777 555055531 /nfs/dbraw/zinc/05/55/31/555055531.db2.gz UNGVCUZYNZMLNZ-OZNIXHKMSA-N 0 3 532.593 4.942 50 0 KJAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000102767970 555055851 /nfs/dbraw/zinc/05/58/51/555055851.db2.gz LMTASRWXQJSKHM-PNIUZAESSA-N 0 3 532.593 4.942 50 0 KJAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 ZINC000102767972 555055835 /nfs/dbraw/zinc/05/58/35/555055835.db2.gz LMTASRWXQJSKHM-CERRFVOPSA-N 0 3 532.593 4.942 50 0 KJAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)c1 ZINC000102768305 555056100 /nfs/dbraw/zinc/05/61/00/555056100.db2.gz LQOZLPOWRIIDBC-YTFSRNRJSA-N 0 3 509.356 4.517 50 0 KJAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)c1 ZINC000102768309 555056137 /nfs/dbraw/zinc/05/61/37/555056137.db2.gz LQOZLPOWRIIDBC-DNVJHFABSA-N 0 3 509.356 4.517 50 0 KJAAHN CCN1CCC[C@@H]1CNC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Sc2ccccc21 ZINC000102769311 555056928 /nfs/dbraw/zinc/05/69/28/555056928.db2.gz GFFJEXLVMBCJMH-UEIZDATPSA-N 0 3 530.488 4.538 50 0 KJAAHN CCN1CCC[C@H]1CNC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Sc2ccccc21 ZINC000102769313 555056920 /nfs/dbraw/zinc/05/69/20/555056920.db2.gz GFFJEXLVMBCJMH-TTXZLZEXSA-N 0 3 530.488 4.538 50 0 KJAAHN CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccncc4)cc(C(=O)NCCN(C)Cc4ccccc4)c3c2)CC1 ZINC000102777001 555063120 /nfs/dbraw/zinc/06/31/20/555063120.db2.gz XJEVFCRPWLPRMU-UHFFFAOYSA-N 0 3 557.720 4.579 50 0 KJAAHN COc1ccc(CN2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3cccs3)C2)cc1OC ZINC000102781138 555066021 /nfs/dbraw/zinc/06/60/21/555066021.db2.gz TVSSIPCWDRFGOP-BJKOFHAPSA-N 0 3 533.694 4.647 50 0 KJAAHN CN1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)/C(=C\c2ccccc2)S3)CC1 ZINC000102791995 555069279 /nfs/dbraw/zinc/06/92/79/555069279.db2.gz QCCYBVZQVNMCCK-ZTKZIYFRSA-N 0 3 544.696 4.873 50 0 KJAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)c(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000102830602 555078536 /nfs/dbraw/zinc/07/85/36/555078536.db2.gz VKFCAOGCMJLCCF-UHFFFAOYSA-N 0 3 555.144 4.816 50 0 KJAAHN COc1ccc(CN2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3cccc(F)c3)C2)cc1OC ZINC000102834257 555079521 /nfs/dbraw/zinc/07/95/21/555079521.db2.gz DIEYFUHIJYAMKI-IZZNHLLZSA-N 0 3 545.655 4.725 50 0 KJAAHN CC[C@@H](C)[C@H]1NC2(CCN(C(=S)Nc3ccc(OC)cc3)CC2)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000102839428 555080755 /nfs/dbraw/zinc/08/07/55/555080755.db2.gz QDDDAXGTAYFWPI-QDPGVEIFSA-N 0 3 549.785 4.695 50 0 KJAAHN CC[C@H](C)[C@H]1NC2(CCN(C(=S)Nc3ccc(OC)cc3)CC2)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000102839431 555080748 /nfs/dbraw/zinc/08/07/48/555080748.db2.gz QDDDAXGTAYFWPI-NEKDWFFYSA-N 0 3 549.785 4.695 50 0 KJAAHN CC[C@@H](C)[C@@H]1NC2(CCN(C(=S)Nc3ccc(OC)cc3)CC2)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000102839434 555080656 /nfs/dbraw/zinc/08/06/56/555080656.db2.gz QDDDAXGTAYFWPI-LXFBAYGMSA-N 0 3 549.785 4.695 50 0 KJAAHN CC[C@H](C)[C@@H]1NC2(CCN(C(=S)Nc3ccc(OC)cc3)CC2)N(C2CCN(Cc3ccccc3)CC2)C1=O ZINC000102839436 555080696 /nfs/dbraw/zinc/08/06/96/555080696.db2.gz QDDDAXGTAYFWPI-FIPFOOKPSA-N 0 3 549.785 4.695 50 0 KJAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@@H](c4cccs4)[C@@H]3C1=O)CCCC2 ZINC000102860655 555090853 /nfs/dbraw/zinc/09/08/53/555090853.db2.gz WSKABRHZVHHUGL-FDFHNCONSA-N 0 3 508.621 4.835 50 0 KJAAHN O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)CN(Cc2ccc(O)cc2)C1 ZINC000102860841 555091305 /nfs/dbraw/zinc/09/13/05/555091305.db2.gz JRPIQLAVYPYECV-RRPNLBNLSA-N 0 3 536.676 4.798 50 0 KJAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@@H]3C1=O)CCCC2 ZINC000102862161 555092362 /nfs/dbraw/zinc/09/23/62/555092362.db2.gz GOSDQROTNDDOBF-KMDXXIMOSA-N 0 3 502.592 4.773 50 0 KJAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@H]3C1=O)CCCC2 ZINC000102862163 555092313 /nfs/dbraw/zinc/09/23/13/555092313.db2.gz GOSDQROTNDDOBF-TZRRMPRUSA-N 0 3 502.592 4.773 50 0 KJAAHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(OC)cc4)[C@@H]3C2=O)cc1 ZINC000102862269 555092220 /nfs/dbraw/zinc/09/22/20/555092220.db2.gz RWJVPNNPOYZWRN-KMDXXIMOSA-N 0 3 506.942 4.576 50 0 KJAAHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(OC)cc4)[C@H]3C2=O)cc1 ZINC000102862270 555092260 /nfs/dbraw/zinc/09/22/60/555092260.db2.gz RWJVPNNPOYZWRN-TZRRMPRUSA-N 0 3 506.942 4.576 50 0 KJAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@@H](c4ccccc4)[C@@H]3C1=O)CCCC2 ZINC000102863209 555092861 /nfs/dbraw/zinc/09/28/61/555092861.db2.gz SZKOLGDUOUMZTP-KMDXXIMOSA-N 0 3 502.592 4.773 50 0 KJAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102869932 555099668 /nfs/dbraw/zinc/09/96/68/555099668.db2.gz IQKRQHMQRDFVAH-NLDZOOGBSA-N 0 3 550.567 4.974 50 0 KJAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102869936 555099701 /nfs/dbraw/zinc/09/97/01/555099701.db2.gz IQKRQHMQRDFVAH-NHKHRBQYSA-N 0 3 550.567 4.974 50 0 KJAAHN CCOC(=O)C1=C(CN(C[C@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)NC(=O)N[C@H]1c1ccccc1 ZINC000102887196 555118560 /nfs/dbraw/zinc/11/85/60/555118560.db2.gz VSMBPHQITDNJDH-ZUKKLESISA-N 0 3 643.785 4.928 50 0 KJAAHN CCOC(=O)C1=C(CN(C[C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)OCC)C2CCCCCCC2)NC(=O)N[C@H]1c1ccccc1 ZINC000102887196 555118558 /nfs/dbraw/zinc/11/85/58/555118558.db2.gz VSMBPHQITDNJDH-ZUKKLESISA-N 0 3 643.785 4.928 50 0 KJAAHN CCOC(=O)C1C(CN(C[C@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000102887196 555118555 /nfs/dbraw/zinc/11/85/55/555118555.db2.gz VSMBPHQITDNJDH-ZUKKLESISA-N 0 3 643.785 4.928 50 0 KJAAHN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1CN(CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC)C1CCCCCCC1 ZINC000102887196 555118552 /nfs/dbraw/zinc/11/85/52/555118552.db2.gz VSMBPHQITDNJDH-ZUKKLESISA-N 0 3 643.785 4.928 50 0 KJAAHN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1CN(CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1)C1CCCCCCC1 ZINC000102887199 555118614 /nfs/dbraw/zinc/11/86/14/555118614.db2.gz VSMBPHQITDNJDH-UCGGBYDDSA-N 0 3 643.785 4.928 50 0 KJAAHN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1CN(CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC)C1CCCCCCC1 ZINC000102887199 555118612 /nfs/dbraw/zinc/11/86/12/555118612.db2.gz VSMBPHQITDNJDH-UCGGBYDDSA-N 0 3 643.785 4.928 50 0 KJAAHN CCOC(=O)C1=C(CN(C[C@@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)NC(=O)N[C@H]1c1ccccc1 ZINC000102887199 555118609 /nfs/dbraw/zinc/11/86/09/555118609.db2.gz VSMBPHQITDNJDH-UCGGBYDDSA-N 0 3 643.785 4.928 50 0 KJAAHN CCOC(=O)C1C(CN(C[C@@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000102887199 555118606 /nfs/dbraw/zinc/11/86/06/555118606.db2.gz VSMBPHQITDNJDH-UCGGBYDDSA-N 0 3 643.785 4.928 50 0 KJAAHN Cc1cc(-c2c(C)nc3scc(CC(=O)N(CCN(C)C)Cc4ccccc4)n3c2=O)nn1-c1cccc(C)c1C ZINC000102902472 555140428 /nfs/dbraw/zinc/14/04/28/555140428.db2.gz YJNSSTDTDSXRTK-UHFFFAOYSA-N 0 3 568.747 4.975 50 0 KJAAHN Cc1cc(-c2c(C)nc3scc(CC(=O)N(CCN(C)C)Cc4ccccc4)n3c2=O)nn1-c1cc(C)ccc1C ZINC000102902523 555140839 /nfs/dbraw/zinc/14/08/39/555140839.db2.gz XGLWHDNPCSBEMJ-UHFFFAOYSA-N 0 3 568.747 4.975 50 0 KJAAHN O=C1C2ON(c3ccc(Br)cc3)[C@@H](c3cccnc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000102912313 555143289 /nfs/dbraw/zinc/14/32/89/555143289.db2.gz QWVYWZXTRYISRT-HSALFYBXSA-N 0 3 518.289 4.914 50 0 KJAAHN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCNCCO)n2-c2c(C(C)C)cccc2C(C)C)c1 ZINC000102922736 555147670 /nfs/dbraw/zinc/14/76/70/555147670.db2.gz KHQWZSKWXFHJRH-UHFFFAOYSA-N 0 3 559.802 4.886 50 0 KJAAHN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000102934694 555161797 /nfs/dbraw/zinc/16/17/97/555161797.db2.gz AOXIYQWRTVRTLM-UHFFFAOYSA-N 0 3 554.112 4.672 50 0 KJAAHN CCC1=C(C(=O)OC)[C@H](c2ccc(C)cc2C)N2C(CC(=O)N3CCN(C4CCCC4)CC3)=CSC2=N1 ZINC000102936618 555164411 /nfs/dbraw/zinc/16/44/11/555164411.db2.gz MINFLYPQCPJIOH-MHZLTWQESA-N 0 3 522.715 4.918 50 0 KJAAHN CCC1=C(C(=O)OC)[C@@H](c2ccc(C)cc2C)N2C(CC(=O)N3CCN(C4CCCC4)CC3)=CSC2=N1 ZINC000102936620 555164382 /nfs/dbraw/zinc/16/43/82/555164382.db2.gz MINFLYPQCPJIOH-HHHXNRCGSA-N 0 3 522.715 4.918 50 0 KJAAHN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCN3CCCC3)N2[C@@H]1c1ccccc1 ZINC000102940304 555168813 /nfs/dbraw/zinc/16/88/13/555168813.db2.gz XSSYWKXMLBUKKO-HHHXNRCGSA-N 0 3 516.667 4.564 50 0 KJAAHN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCN3CCCC3)N2[C@H]1c1ccccc1 ZINC000102940306 555168782 /nfs/dbraw/zinc/16/87/82/555168782.db2.gz XSSYWKXMLBUKKO-MHZLTWQESA-N 0 3 516.667 4.564 50 0 KJAAHN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCN(C)C)N2[C@@H]1c1cc(C)ccc1C ZINC000102940349 555168989 /nfs/dbraw/zinc/16/89/89/555168989.db2.gz MPSYVXRIFKDTAW-HHHXNRCGSA-N 0 3 518.683 4.647 50 0 KJAAHN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCN(C)C)N2[C@H]1c1cc(C)ccc1C ZINC000102940352 555168983 /nfs/dbraw/zinc/16/89/83/555168983.db2.gz MPSYVXRIFKDTAW-MHZLTWQESA-N 0 3 518.683 4.647 50 0 KJAAHN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCN(C)C)N2[C@@H]1c1ccc(C)cc1C ZINC000102940367 555168925 /nfs/dbraw/zinc/16/89/25/555168925.db2.gz UDPLKKFUZMGBBH-HHHXNRCGSA-N 0 3 518.683 4.647 50 0 KJAAHN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCN(C)C)N2[C@H]1c1ccc(C)cc1C ZINC000102940369 555168932 /nfs/dbraw/zinc/16/89/32/555168932.db2.gz UDPLKKFUZMGBBH-MHZLTWQESA-N 0 3 518.683 4.647 50 0 KJAAHN Cc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCCN(C)C)N32)c(C)c1 ZINC000102940944 555169936 /nfs/dbraw/zinc/16/99/36/555169936.db2.gz OTAKTMZYPBHGFD-HHHXNRCGSA-N 0 3 518.683 4.690 50 0 KJAAHN Cc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCCN(C)C)N32)c(C)c1 ZINC000102940946 555169914 /nfs/dbraw/zinc/16/99/14/555169914.db2.gz OTAKTMZYPBHGFD-MHZLTWQESA-N 0 3 518.683 4.690 50 0 KJAAHN Cc1ccc(C)c([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCCN(C)C)N32)c1 ZINC000102941031 555169884 /nfs/dbraw/zinc/16/98/84/555169884.db2.gz KULWIWHHSPSXSQ-HHHXNRCGSA-N 0 3 518.683 4.690 50 0 KJAAHN Cc1ccc(C)c([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCCN(C)C)N32)c1 ZINC000102941033 555169960 /nfs/dbraw/zinc/16/99/60/555169960.db2.gz KULWIWHHSPSXSQ-MHZLTWQESA-N 0 3 518.683 4.690 50 0 KJAAHN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCN(CCc3ccccc3)CC1)nc2-c1ccc2c(c1)OCO2 ZINC000103016450 555209636 /nfs/dbraw/zinc/20/96/36/555209636.db2.gz MVRHDTZXMUWDDF-UHFFFAOYSA-N 0 3 554.054 4.812 50 0 KJAAHN COc1cccc(N2CCN(C(=O)c3ccc(C)nc3C3CCN(Cc4cc(OC)cc(OC)c4)CC3)CC2)c1 ZINC000103023295 555214185 /nfs/dbraw/zinc/21/41/85/555214185.db2.gz KWBGMVZWCPQICE-UHFFFAOYSA-N 0 3 544.696 4.758 50 0 KJAAHN O=C(COc1ccc(Cl)cc1)NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1 ZINC000103031451 555219391 /nfs/dbraw/zinc/21/93/91/555219391.db2.gz JPGHHZCOOQUOBY-UHFFFAOYSA-N 0 3 553.147 4.985 50 0 KJAAHN CCN1C2=C(C(=O)N([C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)C(C)C)C2)[C@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000103059472 555239659 /nfs/dbraw/zinc/23/96/59/555239659.db2.gz PVYSGYQJEAEBQM-NSOVKSMOSA-N 0 3 597.682 4.693 50 0 KJAAHN CCN1C2=C(C(=O)N([C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)C(C)C)C2)[C@@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000103059474 555239655 /nfs/dbraw/zinc/23/96/55/555239655.db2.gz PVYSGYQJEAEBQM-IZLXSDGUSA-N 0 3 597.682 4.693 50 0 KJAAHN CCN1C2=C(C(=O)N([C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)C(C)C)C2)[C@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000103059476 555239672 /nfs/dbraw/zinc/23/96/72/555239672.db2.gz PVYSGYQJEAEBQM-WUFINQPMSA-N 0 3 597.682 4.693 50 0 KJAAHN CCN1C2=C(C(=O)N([C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)C(C)C)C2)[C@@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000103059478 555239665 /nfs/dbraw/zinc/23/96/65/555239665.db2.gz PVYSGYQJEAEBQM-VSGBNLITSA-N 0 3 597.682 4.693 50 0 KJAAHN Cc1ccc([C@@H]2c3cc(OCc4nc(C(=O)NCCN(C)C)cs4)ccc3CCN2C(=O)C2CCCC2)cc1 ZINC000103062635 555243598 /nfs/dbraw/zinc/24/35/98/555243598.db2.gz DDQMZNGGVBHULX-GDLZYMKVSA-N 0 3 546.737 4.986 50 0 KJAAHN Cc1ccc([C@H]2c3cc(OCc4nc(C(=O)NCCN(C)C)cs4)ccc3CCN2C(=O)C2CCCC2)cc1 ZINC000103062640 555243811 /nfs/dbraw/zinc/24/38/11/555243811.db2.gz DDQMZNGGVBHULX-LJAQVGFWSA-N 0 3 546.737 4.986 50 0 KJAAHN CN(C)CCNC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000103124849 555292788 /nfs/dbraw/zinc/29/27/88/555292788.db2.gz IQPBHLJCSVGNOZ-HLPJKERBSA-N 0 3 568.608 4.677 50 0 KJAAHN CN(C)CCNC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000103124851 555292801 /nfs/dbraw/zinc/29/28/01/555292801.db2.gz IQPBHLJCSVGNOZ-YKKMPQLRSA-N 0 3 568.608 4.677 50 0 KJAAHN CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NC3CCN(Cc4ccccc4)CC3)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000103150380 555316219 /nfs/dbraw/zinc/31/62/19/555316219.db2.gz VVDLMUBGQIXERD-VBTAUBHQSA-N 0 3 605.783 4.878 50 0 KJAAHN CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NC3CCN(Cc4ccccc4)CC3)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000103150381 555316426 /nfs/dbraw/zinc/31/64/26/555316426.db2.gz VVDLMUBGQIXERD-AFPLUKJUSA-N 0 3 605.783 4.878 50 0 KJAAHN CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NC3CCN(Cc4ccccc4)CC3)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000103150383 555316386 /nfs/dbraw/zinc/31/63/86/555316386.db2.gz VVDLMUBGQIXERD-FJQKOURKSA-N 0 3 605.783 4.878 50 0 KJAAHN CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NC3CCN(Cc4ccccc4)CC3)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000103150385 555316463 /nfs/dbraw/zinc/31/64/63/555316463.db2.gz VVDLMUBGQIXERD-QIKUIUABSA-N 0 3 605.783 4.878 50 0 KJAAHN CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)NCCN3CCCC3)cc2)C(=O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000103201619 555337539 /nfs/dbraw/zinc/33/75/39/555337539.db2.gz URYMIFZCDGQTHG-RUZDIDTESA-N 0 3 557.613 4.884 50 0 KJAAHN CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)NCCN3CCCC3)cc2)C(=O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000103201622 555337535 /nfs/dbraw/zinc/33/75/35/555337535.db2.gz URYMIFZCDGQTHG-VWLOTQADSA-N 0 3 557.613 4.884 50 0 KJAAHN COc1cc(OC)cc(C(=O)N2CCC(c3nc(C)ccc3C(=O)N(CCN(C)C)Cc3ccccc3)CC2)c1 ZINC000103219735 555340828 /nfs/dbraw/zinc/34/08/28/555340828.db2.gz XTOIIMIYSYIWKN-UHFFFAOYSA-N 0 3 544.696 4.631 50 0 KJAAHN COc1ccc(C(=O)N(CCN(C)C)CC(=O)Nc2nc(-c3ccc(OC)cc3)cn2-c2ccc(C)cc2)cc1 ZINC000103281553 555351654 /nfs/dbraw/zinc/35/16/54/555351654.db2.gz PWRQSERJVURNAX-UHFFFAOYSA-N 0 3 541.652 4.507 50 0 KJAAHN CCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN(C)C)N2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000103283700 555352126 /nfs/dbraw/zinc/35/21/26/555352126.db2.gz YKTWKKOKCQCMFZ-MUUNZHRXSA-N 0 3 547.725 4.990 50 0 KJAAHN CCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN(C)C)N2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000103283703 555352089 /nfs/dbraw/zinc/35/20/89/555352089.db2.gz YKTWKKOKCQCMFZ-NDEPHWFRSA-N 0 3 547.725 4.990 50 0 KJAAHN COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)NCCN(C)C)c2c1c(-c1ccccc1)nn2-c1ccc(F)cc1 ZINC000103286827 555353020 /nfs/dbraw/zinc/35/30/20/555353020.db2.gz BCBIACXSEXHULG-PMERELPUSA-N 0 3 573.694 4.534 50 0 KJAAHN COc1ccccc1[C@H]1SCC(=O)N(CC(=O)NCCN(C)C)c2c1c(-c1ccccc1)nn2-c1ccc(F)cc1 ZINC000103286830 555352955 /nfs/dbraw/zinc/35/29/55/555352955.db2.gz BCBIACXSEXHULG-SSEXGKCCSA-N 0 3 573.694 4.534 50 0 KJAAHN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2ccc(F)cc2F)cc1 ZINC000103288501 555353913 /nfs/dbraw/zinc/35/39/13/555353913.db2.gz ILLRNVJCKCZVTI-PMERELPUSA-N 0 3 591.684 4.673 50 0 KJAAHN COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2ccc(F)cc2F)cc1 ZINC000103288504 555354155 /nfs/dbraw/zinc/35/41/55/555354155.db2.gz ILLRNVJCKCZVTI-SSEXGKCCSA-N 0 3 591.684 4.673 50 0 KJAAHN CCN(CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)c1ccco1 ZINC000103320931 555358687 /nfs/dbraw/zinc/35/86/87/555358687.db2.gz QQVFONMIMXWVJW-UHFFFAOYSA-N 0 3 566.706 4.536 50 0 KJAAHN COc1ccc(Oc2cnn(-c3ccc(Cl)cc3)c(=O)c2Nc2cccc(C(=O)NCCN(C)C)c2)cc1 ZINC000103325281 555359031 /nfs/dbraw/zinc/35/90/31/555359031.db2.gz GSWNAUZXTAVAPP-UHFFFAOYSA-N 0 3 534.016 4.722 50 0 KJAAHN COc1ccc(CN(CCN(C)C)C(=O)NC(C)(C)C)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000103365956 555365821 /nfs/dbraw/zinc/36/58/21/555365821.db2.gz JEMCVTAFPWQMND-UHFFFAOYSA-N 0 3 532.490 4.641 50 0 KJAAHN COc1ccccc1NC(=O)N(CCN(C)C)Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1 ZINC000103426069 555407072 /nfs/dbraw/zinc/40/70/72/555407072.db2.gz GZFQPKIKNGETIV-UHFFFAOYSA-N 0 3 536.025 4.851 50 0 KJAAHN Cc1ccsc1[C@H]1SCC(=O)N(CC(=O)NCCN(C)C)c2c1c(-c1ccccc1)nn2-c1ccc(F)cc1 ZINC000103427618 555408951 /nfs/dbraw/zinc/40/89/51/555408951.db2.gz IUESPZBNUZWPJN-NDEPHWFRSA-N 0 3 563.724 4.895 50 0 KJAAHN Cc1ccsc1[C@@H]1SCC(=O)N(CC(=O)NCCN(C)C)c2c1c(-c1ccccc1)nn2-c1ccc(F)cc1 ZINC000103427621 555409297 /nfs/dbraw/zinc/40/92/97/555409297.db2.gz IUESPZBNUZWPJN-MUUNZHRXSA-N 0 3 563.724 4.895 50 0 KJAAHN COc1ccc(CN(CCN(C)C)C(=O)c2ccco2)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000103432616 555415172 /nfs/dbraw/zinc/41/51/72/555415172.db2.gz GCIWNOYSQXKPLZ-UHFFFAOYSA-N 0 3 527.426 4.567 50 0 KJAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103534203 555434428 /nfs/dbraw/zinc/43/44/28/555434428.db2.gz QOGNHDGKUZYEBQ-HOSLJWMQSA-N 0 3 528.992 4.919 50 0 KJAAHN Cc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]21 ZINC000103588091 555452119 /nfs/dbraw/zinc/45/21/19/555452119.db2.gz NCDNPTLQPBCGTL-BHIFYINESA-N 0 3 524.802 4.671 50 0 KJAAHN Cc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2C(=O)N(c3ccccc3Cl)C(=O)[C@H]21 ZINC000103588099 555452216 /nfs/dbraw/zinc/45/22/16/555452216.db2.gz NCDNPTLQPBCGTL-FDFHNCONSA-N 0 3 524.802 4.671 50 0 KJAAHN Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]32)cc1 ZINC000103588103 555452186 /nfs/dbraw/zinc/45/21/86/555452186.db2.gz URCPKWWDDFCQLJ-BHIFYINESA-N 0 3 524.802 4.671 50 0 KJAAHN O=C(c1cccc(Br)c1)N1N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)C21 ZINC000103588117 555452125 /nfs/dbraw/zinc/45/21/25/555452125.db2.gz AXAXRNDBDQAWDN-NJDAHSKKSA-N 0 3 528.765 4.502 50 0 KJAAHN O=C(c1cccc(Br)c1)N1N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)C21 ZINC000103588121 555452191 /nfs/dbraw/zinc/45/21/91/555452191.db2.gz AXAXRNDBDQAWDN-QHAWAJNXSA-N 0 3 528.765 4.502 50 0 KJAAHN COc1ccc(-n2cc(C(=O)NCCCN3CCN(c4cccc(C)c4)[C@H](C)C3)c3ccccc3c2=O)cc1 ZINC000103727818 555465576 /nfs/dbraw/zinc/46/55/76/555465576.db2.gz XOOQGUSBSCKXBM-XMMPIXPASA-N 0 3 524.665 4.638 50 0 KJAAHN COc1cccc(-n2cc(C(=O)NCCCN3CCN(c4cccc(C)c4)[C@H](C)C3)c3ccccc3c2=O)c1 ZINC000103728023 555465549 /nfs/dbraw/zinc/46/55/49/555465549.db2.gz SNWNFXZFEQFTQF-XMMPIXPASA-N 0 3 524.665 4.638 50 0 KJAAHN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]32)cc1 ZINC000103869352 571368194 /nfs/dbraw/zinc/36/81/94/571368194.db2.gz YQGZMCXZOHZZFU-XPWALMASSA-N 0 3 538.829 4.925 50 0 KJAAHN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 ZINC000103869366 571368251 /nfs/dbraw/zinc/36/82/51/571368251.db2.gz DQXZJFFQKXFJNL-TZRRMPRUSA-N 0 3 518.411 4.580 50 0 KJAAHN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]32)cc1 ZINC000103869405 571368189 /nfs/dbraw/zinc/36/81/89/571368189.db2.gz QSULRBWXLINHHW-TZRRMPRUSA-N 0 3 518.411 4.580 50 0 KJAAHN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCN(c3cccc(C)c3)[C@H](C)C2)[C@@H]1c1cccs1 ZINC000104147400 571375182 /nfs/dbraw/zinc/37/51/82/571375182.db2.gz CNDZFDGPXXKIIO-FRDKBHKLSA-N 0 3 560.764 4.701 50 0 KJAAHN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCN(c3cccc(C)c3)[C@H](C)C2)[C@H]1c1cccs1 ZINC000104147407 571375254 /nfs/dbraw/zinc/37/52/54/571375254.db2.gz CNDZFDGPXXKIIO-NRSKXHDUSA-N 0 3 560.764 4.701 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@@H](c2ccc(Cl)cc2)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000104784228 571385964 /nfs/dbraw/zinc/38/59/64/571385964.db2.gz JNQBTWDSOBSRFN-DNVJHFABSA-N 0 3 554.828 4.761 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@@H](c2cccc(Cl)c2)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000104784308 571385973 /nfs/dbraw/zinc/38/59/73/571385973.db2.gz HESLAXFJYDRETO-DNVJHFABSA-N 0 3 554.828 4.761 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@@H](c2ccccc2Cl)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000104784319 571386115 /nfs/dbraw/zinc/38/61/15/571386115.db2.gz IFSOWNAICFQDNX-DNVJHFABSA-N 0 3 554.828 4.761 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@@H](c2ccc(SC)cc2)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000104784358 571385952 /nfs/dbraw/zinc/38/59/52/571385952.db2.gz MNWWZZSIMSKFSL-WXFUMESZSA-N 0 3 566.477 4.830 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@H](c2ccccc2OCC)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000104784367 571386086 /nfs/dbraw/zinc/38/60/86/571386086.db2.gz PFPLKXKFYKWWIW-DSNGMDLFSA-N 0 3 564.436 4.506 50 0 KJAAHN O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@H]12 ZINC000104919776 571387832 /nfs/dbraw/zinc/38/78/32/571387832.db2.gz FEQBREXZEAPRIC-XNMGPUDCSA-N 0 3 527.562 4.903 50 0 KJAAHN O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@H]12 ZINC000104919777 571387702 /nfs/dbraw/zinc/38/77/02/571387702.db2.gz FEQBREXZEAPRIC-AHKZPQOWSA-N 0 3 527.562 4.903 50 0 KJAAHN O=C(NC1CCCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@H]12 ZINC000104920770 571387960 /nfs/dbraw/zinc/38/79/60/571387960.db2.gz LPDJEUBNJJYJDW-AOYPEHQESA-N 0 3 501.593 4.896 50 0 KJAAHN O=C(NC1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@H]12 ZINC000104920773 571387947 /nfs/dbraw/zinc/38/79/47/571387947.db2.gz LPDJEUBNJJYJDW-AZGAKELHSA-N 0 3 501.593 4.896 50 0 KJAAHN O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@H]12 ZINC000104920777 571387977 /nfs/dbraw/zinc/38/79/77/571387977.db2.gz DZTFKAWHGUYVKI-AOYPEHQESA-N 0 3 529.628 4.868 50 0 KJAAHN O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@H]12 ZINC000104920781 571387950 /nfs/dbraw/zinc/38/79/50/571387950.db2.gz DZTFKAWHGUYVKI-AZGAKELHSA-N 0 3 529.628 4.868 50 0 KJAAHN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H](O)Cc2ccccc2)CC2CC2)cc1 ZINC000105003934 571388867 /nfs/dbraw/zinc/38/88/67/571388867.db2.gz ARXQAXLPXMCSPH-LSYYVWMOSA-N 0 3 504.696 4.877 50 0 KJAAHN Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCN(C(=O)COc2ccccc2)[C@@H](C)C1 ZINC000105060683 571390735 /nfs/dbraw/zinc/39/07/35/571390735.db2.gz OQAOFUTVSOTAKC-JHOBJCJYSA-N 0 3 517.695 4.532 50 0 KJAAHN Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000105060862 571390784 /nfs/dbraw/zinc/39/07/84/571390784.db2.gz SFSHDUFWMWEENB-KMRXNPHXSA-N 0 3 558.169 4.969 50 0 KJAAHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000105791528 571408584 /nfs/dbraw/zinc/40/85/84/571408584.db2.gz GSQZDYYGRHMAIA-QHAWAJNXSA-N 0 3 555.008 4.724 50 0 KJAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000106015187 571410264 /nfs/dbraw/zinc/41/02/64/571410264.db2.gz IQKRQHMQRDFVAH-MPFGFTFXSA-N 0 3 550.567 4.974 50 0 KJAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000106017624 571410452 /nfs/dbraw/zinc/41/04/52/571410452.db2.gz RLZDRXPLIPXJAK-UPRLRBBYSA-N 0 3 556.596 4.514 50 0 KJAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000106017626 571410554 /nfs/dbraw/zinc/41/05/54/571410554.db2.gz RLZDRXPLIPXJAK-JCYYIGJDSA-N 0 3 556.596 4.514 50 0 KJAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@H]3C2=O)cc1 ZINC000106018753 571410521 /nfs/dbraw/zinc/41/05/21/571410521.db2.gz DBDWNCIYSTXCGQ-SSBOKUKZSA-N 0 3 550.567 4.974 50 0 KJAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@H]3C2=O)cc1 ZINC000106018755 571410725 /nfs/dbraw/zinc/41/07/25/571410725.db2.gz DBDWNCIYSTXCGQ-MPFGFTFXSA-N 0 3 550.567 4.974 50 0 KJAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000106535311 571412938 /nfs/dbraw/zinc/41/29/38/571412938.db2.gz QOGNHDGKUZYEBQ-VEAWFHDZSA-N 0 3 528.992 4.919 50 0 KJAAHN CSCC[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000106588207 571413071 /nfs/dbraw/zinc/41/30/71/571413071.db2.gz XLOFIBURHKEVSM-OJDZSJEKSA-N 0 3 587.786 4.681 50 0 biogenic KJAAHN CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000106588209 571413019 /nfs/dbraw/zinc/41/30/19/571413019.db2.gz XLOFIBURHKEVSM-RWSKJCERSA-N 0 3 587.786 4.681 50 0 biogenic KJAAHN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449253 571424736 /nfs/dbraw/zinc/42/47/36/571424736.db2.gz BERRLWZQFYTLHY-PMERELPUSA-N 0 3 642.797 4.836 50 0 biogenic KJAAHN CCOC(=O)C1=C(CN(C[C@@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000108965812 571427821 /nfs/dbraw/zinc/42/78/21/571427821.db2.gz VSMBPHQITDNJDH-QVWWMRLHSA-N 0 3 643.785 4.928 50 0 KJAAHN CCOC(=O)C1=C(CN(C[C@@H]2NC(=O)NC(c3ccccc3)=C2C(=O)OCC)C2CCCCCCC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000108965812 571427819 /nfs/dbraw/zinc/42/78/19/571427819.db2.gz VSMBPHQITDNJDH-QVWWMRLHSA-N 0 3 643.785 4.928 50 0 KJAAHN CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@H]1CN(CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC)C1CCCCCCC1 ZINC000108965812 571427818 /nfs/dbraw/zinc/42/78/18/571427818.db2.gz VSMBPHQITDNJDH-QVWWMRLHSA-N 0 3 643.785 4.928 50 0 KJAAHN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1CN(CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC)C1CCCCCCC1 ZINC000108965812 571427816 /nfs/dbraw/zinc/42/78/16/571427816.db2.gz VSMBPHQITDNJDH-QVWWMRLHSA-N 0 3 643.785 4.928 50 0 KJAAHN CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000113648937 562826675 /nfs/dbraw/zinc/82/66/75/562826675.db2.gz FYDWDCIFZSGNBU-UHFFFAOYSA-N 0 3 597.760 4.836 50 0 investigational KJAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@@H]2C1=O ZINC000136011157 571449021 /nfs/dbraw/zinc/44/90/21/571449021.db2.gz YFLRBLNXCVATHI-BHDDXSALSA-N 0 3 517.994 4.912 50 0 KJAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000136144840 571449235 /nfs/dbraw/zinc/44/92/35/571449235.db2.gz IRHSOAZMWCCHOB-HZFUHODCSA-N 0 3 540.597 4.814 50 0 KJAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1OC ZINC000137680874 571450523 /nfs/dbraw/zinc/45/05/23/571450523.db2.gz BZYYLYYTEBWSRW-OYUWMTPXSA-N 0 3 502.567 4.934 50 0 KJAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000137680874 571450521 /nfs/dbraw/zinc/45/05/21/571450521.db2.gz BZYYLYYTEBWSRW-OYUWMTPXSA-N 0 3 502.567 4.934 50 0 KJAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C(=O)C3ON2c2ccccc2)cc1OC ZINC000137712764 571450446 /nfs/dbraw/zinc/45/04/46/571450446.db2.gz LRBKOSZXIYIYBS-OYUWMTPXSA-N 0 3 502.567 4.934 50 0 KJAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000137712764 571450445 /nfs/dbraw/zinc/45/04/45/571450445.db2.gz LRBKOSZXIYIYBS-OYUWMTPXSA-N 0 3 502.567 4.934 50 0 KJAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000137719844 571450471 /nfs/dbraw/zinc/45/04/71/571450471.db2.gz GLCNHWBHNNLGNE-UPRLRBBYSA-N 0 3 520.541 4.966 50 0 KJAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000137719844 571450470 /nfs/dbraw/zinc/45/04/70/571450470.db2.gz GLCNHWBHNNLGNE-UPRLRBBYSA-N 0 3 520.541 4.966 50 0 KJAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000137816834 571450578 /nfs/dbraw/zinc/45/05/78/571450578.db2.gz YOQWWPKGYIQFCM-HZFUHODCSA-N 0 3 520.541 4.966 50 0 KJAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc(OC)c1OC ZINC000137886095 571450925 /nfs/dbraw/zinc/45/09/25/571450925.db2.gz ORNQRVQPUKWWID-ZRRKCSAHSA-N 0 3 510.546 4.917 50 0 KJAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)c1 ZINC000137962755 571450821 /nfs/dbraw/zinc/45/08/21/571450821.db2.gz LQOZLPOWRIIDBC-RJGXRXQPSA-N 0 3 509.356 4.517 50 0 KJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@@H]3C2=O)cc1 ZINC000138590060 571451552 /nfs/dbraw/zinc/45/15/52/571451552.db2.gz SLFHHAKBDIOKSZ-BHDDXSALSA-N 0 3 517.994 4.912 50 0 KJAAHN CN1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)(N(Cc2ccc(C(F)(F)F)cc2)C(=O)CN2C[C@H](c3ccccc3)NC2=S)CC1 ZINC000150346465 571460468 /nfs/dbraw/zinc/46/04/68/571460468.db2.gz XLPWDPFZLHTEFY-WJOKGBTCSA-N 0 3 694.824 4.905 50 0 KJAAHN CN1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)(N(Cc2ccc(C(F)(F)F)cc2)C(=O)CN2C[C@@H](c3ccccc3)NC2=S)CC1 ZINC000150346467 571460428 /nfs/dbraw/zinc/46/04/28/571460428.db2.gz XLPWDPFZLHTEFY-HKBQPEDESA-N 0 3 694.824 4.905 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@H](c2cc(Br)ccc2OC)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000150444412 571499784 /nfs/dbraw/zinc/49/97/84/571499784.db2.gz OXTBWQHAKSYZED-SGNDLWITSA-N 0 3 629.305 4.879 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@@H](c2cc(Br)ccc2OC)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000150444421 571499804 /nfs/dbraw/zinc/49/98/04/571499804.db2.gz OXTBWQHAKSYZED-SMIHKQSGSA-N 0 3 629.305 4.879 50 0 KJAAHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000150656344 571526874 /nfs/dbraw/zinc/52/68/74/571526874.db2.gz ASKBTZIWPQXAHJ-OYUWMTPXSA-N 0 3 676.725 4.839 50 0 KJAAHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000150656345 571526878 /nfs/dbraw/zinc/52/68/78/571526878.db2.gz ASKBTZIWPQXAHJ-ZONZVBGPSA-N 0 3 676.725 4.839 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@@H](c2cc(Br)ccc2OC)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000150664104 571528470 /nfs/dbraw/zinc/52/84/70/571528470.db2.gz OXTBWQHAKSYZED-WXFUMESZSA-N 0 3 629.305 4.879 50 0 KJAAHN O=C1C2ON(c3ccc(Br)cc3)[C@@H](c3cccnc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000169620956 571554445 /nfs/dbraw/zinc/55/44/45/571554445.db2.gz QWVYWZXTRYISRT-SLFFLAALSA-N 0 3 518.289 4.914 50 0 KJAAHN O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@@H]12 ZINC000169677261 571554747 /nfs/dbraw/zinc/55/47/47/571554747.db2.gz DZTFKAWHGUYVKI-RSXGOPAZSA-N 0 3 529.628 4.868 50 0 KJAAHN O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@@H]12 ZINC000169677267 571554811 /nfs/dbraw/zinc/55/48/11/571554811.db2.gz JCIMJTRACYBVAQ-IAPPQJPRSA-N 0 3 523.599 4.806 50 0 KJAAHN O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@@H]12 ZINC000169677268 571554782 /nfs/dbraw/zinc/55/47/82/571554782.db2.gz JCIMJTRACYBVAQ-XCZPVHLTSA-N 0 3 523.599 4.806 50 0 KJAAHN O=C(NC1CCCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@@H]12 ZINC000169677277 571554836 /nfs/dbraw/zinc/55/48/36/571554836.db2.gz LPDJEUBNJJYJDW-RSXGOPAZSA-N 0 3 501.593 4.896 50 0 KJAAHN O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCOc3ccccc3)C[C@@H]12 ZINC000169677283 571554884 /nfs/dbraw/zinc/55/48/84/571554884.db2.gz FEQBREXZEAPRIC-VPUSJEBWSA-N 0 3 527.562 4.903 50 0 KJAAHN Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCN(C(=O)COc2ccccc2)[C@@H](C)C1 ZINC000169677349 571554827 /nfs/dbraw/zinc/55/48/27/571554827.db2.gz OQAOFUTVSOTAKC-YUDQIZAISA-N 0 3 517.695 4.532 50 0 KJAAHN Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000169677350 571554833 /nfs/dbraw/zinc/55/48/33/571554833.db2.gz SFSHDUFWMWEENB-RBTNQOKQSA-N 0 3 558.169 4.969 50 0 KJAAHN O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@@H]12 ZINC000169677736 571555295 /nfs/dbraw/zinc/55/52/95/571555295.db2.gz SYROLYWEHCVWLN-IAPPQJPRSA-N 0 3 507.600 4.970 50 0 KJAAHN O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@@H]12 ZINC000169677737 571555343 /nfs/dbraw/zinc/55/53/43/571555343.db2.gz SYROLYWEHCVWLN-XCZPVHLTSA-N 0 3 507.600 4.970 50 0 KJAAHN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H](O)Cc2ccccc2)CC2CC2)cc1 ZINC000169677843 571555363 /nfs/dbraw/zinc/55/53/63/571555363.db2.gz ARXQAXLPXMCSPH-LBNVMWSVSA-N 0 3 504.696 4.877 50 0 KJAAHN Cc1ccc([C@@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)COCc3ccccc3)[C@@H](C)C2)cc1 ZINC000169680897 571557257 /nfs/dbraw/zinc/55/72/57/571557257.db2.gz WZYVGEXOYLSODU-QXNWPYRLSA-N 0 3 531.722 4.670 50 0 KJAAHN Cc1ccc([C@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)COCc3ccccc3)[C@@H](C)C2)cc1 ZINC000169680898 571557352 /nfs/dbraw/zinc/55/73/52/571557352.db2.gz WZYVGEXOYLSODU-DLLPINGYSA-N 0 3 531.722 4.670 50 0 KJAAHN Cc1ccc([C@@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)cc1 ZINC000169680912 571557275 /nfs/dbraw/zinc/55/72/75/571557275.db2.gz CTEHXRQEQQCVBJ-RBTNQOKQSA-N 0 3 507.725 4.758 50 0 KJAAHN Cc1ccc([C@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)cc1 ZINC000169680913 571557349 /nfs/dbraw/zinc/55/73/49/571557349.db2.gz CTEHXRQEQQCVBJ-KMRXNPHXSA-N 0 3 507.725 4.758 50 0 KJAAHN CCOc1ccc(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)C3=CC4C=CC=C[C@@H]4OC3=O)c2)cc1 ZINC000169684316 571558336 /nfs/dbraw/zinc/55/83/36/571558336.db2.gz JULSCCCEJMJNPA-PVQNCLDBSA-N 0 3 618.690 4.656 50 0 KJAAHN Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccccc4Cl)C(=O)[C@H]32)cc1 ZINC000169694210 571558912 /nfs/dbraw/zinc/55/89/12/571558912.db2.gz URCPKWWDDFCQLJ-FDFHNCONSA-N 0 3 524.802 4.671 50 0 KJAAHN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccccc4Cl)C(=O)[C@H]32)cc1 ZINC000169697688 571558773 /nfs/dbraw/zinc/55/87/73/571558773.db2.gz YQGZMCXZOHZZFU-RJGXRXQPSA-N 0 3 538.829 4.925 50 0 KJAAHN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 ZINC000169697692 571558822 /nfs/dbraw/zinc/55/88/22/571558822.db2.gz DQXZJFFQKXFJNL-KMDXXIMOSA-N 0 3 518.411 4.580 50 0 KJAAHN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4cccc(C)c4)C(=O)[C@H]32)cc1 ZINC000169699830 571558834 /nfs/dbraw/zinc/55/88/34/571558834.db2.gz QSULRBWXLINHHW-KMDXXIMOSA-N 0 3 518.411 4.580 50 0 KJAAHN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCN(c3cccc(C)c3)[C@@H](C)C2)[C@@H]1c1cccs1 ZINC000169782411 571560399 /nfs/dbraw/zinc/56/03/99/571560399.db2.gz CNDZFDGPXXKIIO-YDZBWFOPSA-N 0 3 560.764 4.701 50 0 KJAAHN CCOC(=O)C1=C(CN(C[C@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000195532242 571563620 /nfs/dbraw/zinc/56/36/20/571563620.db2.gz VSMBPHQITDNJDH-WXGMZPBLSA-N 0 3 643.785 4.928 50 0 KJAAHN CCOC(=O)C1=C(CN(C[C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)OCC)C2CCCCCCC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000195532242 571563618 /nfs/dbraw/zinc/56/36/18/571563618.db2.gz VSMBPHQITDNJDH-WXGMZPBLSA-N 0 3 643.785 4.928 50 0 KJAAHN CCOC(=O)C1C(CN(C[C@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000195532242 571563617 /nfs/dbraw/zinc/56/36/17/571563617.db2.gz VSMBPHQITDNJDH-WXGMZPBLSA-N 0 3 643.785 4.928 50 0 KJAAHN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1CN(CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC)C1CCCCCCC1 ZINC000195532242 571563615 /nfs/dbraw/zinc/56/36/15/571563615.db2.gz VSMBPHQITDNJDH-WXGMZPBLSA-N 0 3 643.785 4.928 50 0 KJAAHN COc1ccc(CN2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C[C@H](COc3ccc(C)nc3)C2)cc1OC ZINC000200510170 1066505775 /nfs/dbraw/zinc/50/57/75/1066505775.db2.gz CGBZPSYZFNXTNS-AZGAKELHSA-N 0 3 542.680 4.765 50 0 KJAAHN COc1cc(OC)c(NC(=O)CSc2nc3ccsc3c(=O)n2CCCN2CCCCC2)cc1Cl ZINC000206596066 571572908 /nfs/dbraw/zinc/57/29/08/571572908.db2.gz KZWNRBCOVZDWCI-UHFFFAOYSA-N 0 3 537.107 4.735 50 0 KJAAHN CC[C@@H]1CCCCN1CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000225420968 571788217 /nfs/dbraw/zinc/78/82/17/571788217.db2.gz OZEFJHJIZICZPC-UFSCWTOFSA-N 0 3 576.782 4.613 50 0 KJAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000226813794 572142098 /nfs/dbraw/zinc/14/20/98/572142098.db2.gz XITPCMNFQGWLBM-OYUWMTPXSA-N 0 3 502.567 4.934 50 0 KJAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000226823013 572142436 /nfs/dbraw/zinc/14/24/36/572142436.db2.gz JAFRYOZMXQRUJI-HZFUHODCSA-N 0 3 520.541 4.966 50 0 KJAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000226823249 572142606 /nfs/dbraw/zinc/14/26/06/572142606.db2.gz LIBDXMDOAPMSDR-KMDXXIMOSA-N 0 3 523.383 4.908 50 0 KJAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OC)c(Br)c3)[C@@H]2C1=O ZINC000226823281 572142619 /nfs/dbraw/zinc/14/26/19/572142619.db2.gz DEFWJFLZTDZMDE-KMDXXIMOSA-N 0 3 523.383 4.908 50 0 KJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1Br ZINC000226823888 572142711 /nfs/dbraw/zinc/14/27/11/572142711.db2.gz DZNKLUCVFPQYRL-YTFSRNRJSA-N 0 3 509.356 4.517 50 0 KJAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000226823927 572142498 /nfs/dbraw/zinc/14/24/98/572142498.db2.gz OXSDCKPRHHQRMH-OYUWMTPXSA-N 0 3 502.567 4.934 50 0 KJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000226828169 572142575 /nfs/dbraw/zinc/14/25/75/572142575.db2.gz WVIQMLLJZZBOCT-HZFUHODCSA-N 0 3 540.597 4.814 50 0 KJAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C1=O ZINC000226830341 572142451 /nfs/dbraw/zinc/14/24/51/572142451.db2.gz XPIBMGMTTNTAFQ-HZFUHODCSA-N 0 3 540.597 4.814 50 0 KJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000226832048 572142957 /nfs/dbraw/zinc/14/29/57/572142957.db2.gz HIWDNABESQCEPP-GMQQYTKMSA-N 0 3 544.560 4.645 50 0 KJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000226832217 572142656 /nfs/dbraw/zinc/14/26/56/572142656.db2.gz GZQFZDNPGFECFD-GMQQYTKMSA-N 0 3 526.570 4.505 50 0 KJAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000226832305 572142933 /nfs/dbraw/zinc/14/29/33/572142933.db2.gz MNBFKRRRPRIYNW-GMQQYTKMSA-N 0 3 526.570 4.505 50 0 KJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)c(OC)c1OC ZINC000226886489 572144414 /nfs/dbraw/zinc/14/44/14/572144414.db2.gz BKVGQQYQSQAJSB-BXTSTYNKSA-N 0 3 510.546 4.917 50 0 KJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c(OC)c1OC ZINC000226886489 572144411 /nfs/dbraw/zinc/14/44/11/572144411.db2.gz BKVGQQYQSQAJSB-BXTSTYNKSA-N 0 3 510.546 4.917 50 0 KJAAHN COc1cc(OC)c([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OC ZINC000226889272 572144535 /nfs/dbraw/zinc/14/45/35/572144535.db2.gz BVYWYZXWCUQGJJ-UPRLRBBYSA-N 0 3 510.546 4.917 50 0 KJAAHN COc1cc(OC)c([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000226889272 572144531 /nfs/dbraw/zinc/14/45/31/572144531.db2.gz BVYWYZXWCUQGJJ-UPRLRBBYSA-N 0 3 510.546 4.917 50 0 KJAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1O ZINC000226891021 572144757 /nfs/dbraw/zinc/14/47/57/572144757.db2.gz CTCQFSBMMNVBBQ-BHDDXSALSA-N 0 3 529.774 4.868 50 0 KJAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000226891021 572144755 /nfs/dbraw/zinc/14/47/55/572144755.db2.gz CTCQFSBMMNVBBQ-BHDDXSALSA-N 0 3 529.774 4.868 50 0 KJAAHN O=C(c1cccs1)[C@@H]1C(C(=O)c2ccccn2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000226922122 572145074 /nfs/dbraw/zinc/14/50/74/572145074.db2.gz PGKSFOBXHNEJOC-TUAOVVRQSA-N 0 3 503.583 4.999 50 0 KJAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc(OC)cc2)cc1 ZINC000226931282 572145998 /nfs/dbraw/zinc/14/59/98/572145998.db2.gz DPSCPAUNQJIQFK-YTFSRNRJSA-N 0 3 509.356 4.517 50 0 KJAAHN O=c1sc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000226992306 572146759 /nfs/dbraw/zinc/14/67/59/572146759.db2.gz LCXZCSHRMYPTQK-PWRODBHTSA-N 0 3 521.957 4.743 50 0 KJAAHN O=c1sc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000226992306 572146755 /nfs/dbraw/zinc/14/67/55/572146755.db2.gz LCXZCSHRMYPTQK-PWRODBHTSA-N 0 3 521.957 4.743 50 0 KJAAHN O=c1sc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000226992321 572146672 /nfs/dbraw/zinc/14/66/72/572146672.db2.gz LCXZCSHRMYPTQK-NJDAHSKKSA-N 0 3 521.957 4.743 50 0 KJAAHN O=c1sc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000226992321 572146668 /nfs/dbraw/zinc/14/66/68/572146668.db2.gz LCXZCSHRMYPTQK-NJDAHSKKSA-N 0 3 521.957 4.743 50 0 KJAAHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000227063950 572148286 /nfs/dbraw/zinc/14/82/86/572148286.db2.gz ASKBTZIWPQXAHJ-GMQQYTKMSA-N 0 3 676.725 4.839 50 0 KJAAHN CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c(C(=O)OC)c1C ZINC000227063950 572148275 /nfs/dbraw/zinc/14/82/75/572148275.db2.gz ASKBTZIWPQXAHJ-GMQQYTKMSA-N 0 3 676.725 4.839 50 0 KJAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000227070497 572148982 /nfs/dbraw/zinc/14/89/82/572148982.db2.gz IQKRQHMQRDFVAH-ZGIBFIJWSA-N 0 3 550.567 4.974 50 0 KJAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000227085179 572149873 /nfs/dbraw/zinc/14/98/73/572149873.db2.gz RLZDRXPLIPXJAK-HZFUHODCSA-N 0 3 556.596 4.514 50 0 KJAAHN CC(=O)Oc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000229593029 572154425 /nfs/dbraw/zinc/15/44/25/572154425.db2.gz XJOPJYXYFWDENA-CTMYTVLESA-N 0 3 555.590 4.863 50 0 KJAAHN CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000229596204 572154327 /nfs/dbraw/zinc/15/43/27/572154327.db2.gz XLOFIBURHKEVSM-CHQNGUEUSA-N 0 3 587.786 4.681 50 0 KJAAHN CSCC[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000229596223 572154600 /nfs/dbraw/zinc/15/46/00/572154600.db2.gz XLOFIBURHKEVSM-YPKYBTACSA-N 0 3 587.786 4.681 50 0 KJAAHN C[C@@H]1C[C@H](C(=O)Oc2ccc([C@@H]3[C@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C(=O)C4ON3c3ccccc3)cc2)N(C)N1 ZINC000229861570 572162082 /nfs/dbraw/zinc/16/20/82/572162082.db2.gz PJAHPKZIAHIBAP-CNFVFWEUSA-N 0 3 581.456 4.547 50 0 KJAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000229906196 572167992 /nfs/dbraw/zinc/16/79/92/572167992.db2.gz DBDWNCIYSTXCGQ-ZGIBFIJWSA-N 0 3 550.567 4.974 50 0 KJAAHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4Cl)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000229956345 572173841 /nfs/dbraw/zinc/17/38/41/572173841.db2.gz GSQZDYYGRHMAIA-PWRODBHTSA-N 0 3 555.008 4.724 50 0 KJAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@@H]3C1=O)CCCC2 ZINC000229967523 572174373 /nfs/dbraw/zinc/17/43/73/572174373.db2.gz GOSDQROTNDDOBF-RBZQAINGSA-N 0 3 502.592 4.773 50 0 KJAAHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(OC)cc4)[C@@H]3C2=O)cc1 ZINC000229968491 572175284 /nfs/dbraw/zinc/17/52/84/572175284.db2.gz RWJVPNNPOYZWRN-RBZQAINGSA-N 0 3 506.942 4.576 50 0 KJAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@H](c4cccs4)[C@@H]3C1=O)CCCC2 ZINC000229969031 572175550 /nfs/dbraw/zinc/17/55/50/572175550.db2.gz WSKABRHZVHHUGL-BHDDXSALSA-N 0 3 508.621 4.835 50 0 KJAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@H](c4ccccc4)[C@@H]3C1=O)CCCC2 ZINC000229969179 572175570 /nfs/dbraw/zinc/17/55/70/572175570.db2.gz SZKOLGDUOUMZTP-RBZQAINGSA-N 0 3 502.592 4.773 50 0 KJAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229977655 572175866 /nfs/dbraw/zinc/17/58/66/572175866.db2.gz QOGNHDGKUZYEBQ-NJBJSMFESA-N 0 3 528.992 4.919 50 0 KJAAHN O=C1C2ON(c3ccc(Br)cc3)[C@H](c3cccnc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000229979038 572176440 /nfs/dbraw/zinc/17/64/40/572176440.db2.gz QWVYWZXTRYISRT-XUVXKRRUSA-N 0 3 518.289 4.914 50 0 KJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000229983748 572176542 /nfs/dbraw/zinc/17/65/42/572176542.db2.gz PZHYBGUBOYUARH-OYUWMTPXSA-N 0 3 544.560 4.645 50 0 KJAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@@H]3C2=O)c1 ZINC000229986248 572177250 /nfs/dbraw/zinc/17/72/50/572177250.db2.gz OOMMYEXRWKFMJF-FDFHNCONSA-N 0 3 517.994 4.912 50 0 KJAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4OC)[C@@H]3C2=O)cc1 ZINC000229999723 572177926 /nfs/dbraw/zinc/17/79/26/572177926.db2.gz UNGVCUZYNZMLNZ-UPRLRBBYSA-N 0 3 532.593 4.942 50 0 KJAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1 ZINC000230005797 572178308 /nfs/dbraw/zinc/17/83/08/572178308.db2.gz QGGHOGJQZWHCFH-UPRLRBBYSA-N 0 3 540.597 4.814 50 0 KJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4OC)[C@@H]3C2=O)cc1 ZINC000230009188 572178270 /nfs/dbraw/zinc/17/82/70/572178270.db2.gz USMLGOCMAVDZAG-OYUWMTPXSA-N 0 3 518.566 4.552 50 0 KJAAHN CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000230009188 572178268 /nfs/dbraw/zinc/17/82/68/572178268.db2.gz USMLGOCMAVDZAG-OYUWMTPXSA-N 0 3 518.566 4.552 50 0 KJAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@@H]3C2=O)c1 ZINC000230009655 572178425 /nfs/dbraw/zinc/17/84/25/572178425.db2.gz AYBMZNQKYRKQDE-UPRLRBBYSA-N 0 3 540.597 4.814 50 0 KJAAHN Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2OS(=O)(=O)c2ccccc2)c1 ZINC000230009655 572178422 /nfs/dbraw/zinc/17/84/22/572178422.db2.gz AYBMZNQKYRKQDE-UPRLRBBYSA-N 0 3 540.597 4.814 50 0 KJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000230011267 572178536 /nfs/dbraw/zinc/17/85/36/572178536.db2.gz GZQFZDNPGFECFD-OYUWMTPXSA-N 0 3 526.570 4.505 50 0 KJAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000230012883 572178497 /nfs/dbraw/zinc/17/84/97/572178497.db2.gz MNBFKRRRPRIYNW-OYUWMTPXSA-N 0 3 526.570 4.505 50 0 KJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000230019108 572179291 /nfs/dbraw/zinc/17/92/91/572179291.db2.gz PZOAVUVOTVTTCY-UPRLRBBYSA-N 0 3 540.597 4.814 50 0 KJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000230019311 572178987 /nfs/dbraw/zinc/17/89/87/572178987.db2.gz MSCMGAYIEHZOGR-ISJGIBHGSA-N 0 3 508.958 4.894 50 0 KJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000230031817 572179982 /nfs/dbraw/zinc/17/99/82/572179982.db2.gz DQBHENFMJQEKBL-CLCZQPDDSA-N 0 3 518.566 4.552 50 0 KJAAHN CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000230031817 572179978 /nfs/dbraw/zinc/17/99/78/572179978.db2.gz DQBHENFMJQEKBL-CLCZQPDDSA-N 0 3 518.566 4.552 50 0 KJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000230033603 572180758 /nfs/dbraw/zinc/18/07/58/572180758.db2.gz YQHMCXNPSUVVDG-ZWEKWIFMSA-N 0 3 518.566 4.552 50 0 KJAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cc(Br)ccc3OC)[C@@H]2C1=O ZINC000230034429 572180617 /nfs/dbraw/zinc/18/06/17/572180617.db2.gz JTIRNWDGRKBKGI-RBZQAINGSA-N 0 3 523.383 4.908 50 0 KJAAHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)c1 ZINC000230041271 572180974 /nfs/dbraw/zinc/18/09/74/572180974.db2.gz LZOAYYBRTWSPBI-RBZQAINGSA-N 0 3 523.383 4.908 50 0 KJAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1 ZINC000230055957 572181578 /nfs/dbraw/zinc/18/15/78/572181578.db2.gz LMTASRWXQJSKHM-BXTSTYNKSA-N 0 3 532.593 4.942 50 0 KJAAHN CCN1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 ZINC000230066872 572182416 /nfs/dbraw/zinc/18/24/16/572182416.db2.gz IYMILNLWPOOXJA-MHZHKKNFSA-N 0 3 515.629 4.916 50 0 KJAAHN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCN(c3cccc(C)c3)[C@@H](C)C2)[C@H]1c1cccs1 ZINC000230076415 572182671 /nfs/dbraw/zinc/18/26/71/572182671.db2.gz CNDZFDGPXXKIIO-QZFRTWIZSA-N 0 3 560.764 4.701 50 0 KJAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@H]3C1=O)CCCC2 ZINC000238899560 572188904 /nfs/dbraw/zinc/18/89/04/572188904.db2.gz GOSDQROTNDDOBF-WXFUMESZSA-N 0 3 502.592 4.773 50 0 KJAAHN O=C1C2ON(c3ccc(Br)cc3)[C@H](c3cccnc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000238924090 572189479 /nfs/dbraw/zinc/18/94/79/572189479.db2.gz QWVYWZXTRYISRT-VAMGGRTRSA-N 0 3 518.289 4.914 50 0 KJAAHN CCOC(=O)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(OC)cc4)[C@H]3C2=O)cc1 ZINC000238924307 572189659 /nfs/dbraw/zinc/18/96/59/572189659.db2.gz RWJVPNNPOYZWRN-WXFUMESZSA-N 0 3 506.942 4.576 50 0 KJAAHN O=C(c1cc2n(n1)CCCO2)N1CCC(N2CCC(N(C(=O)C3CCCCC3)c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000244998810 572200868 /nfs/dbraw/zinc/20/08/68/572200868.db2.gz KULSASJIVDVQAD-UHFFFAOYSA-N 0 3 588.675 4.762 50 0 KJAAHN Cc1noc(CN2CCC(N3CCC(N(C(=O)C4CCCCC4)c4ccc(C(F)(F)F)cn4)CC3)CC2)n1 ZINC000245026682 572200950 /nfs/dbraw/zinc/20/09/50/572200950.db2.gz NFXXCNFDGJONFC-UHFFFAOYSA-N 0 3 534.627 4.834 50 0 KJAAHN O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CCN(C2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000245171822 572201318 /nfs/dbraw/zinc/20/13/18/572201318.db2.gz XWWWQYSMHGAOEJ-DEOSSOPVSA-N 0 3 536.639 4.648 50 0 KJAAHN O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CCN(C2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000245171823 572201353 /nfs/dbraw/zinc/20/13/53/572201353.db2.gz XWWWQYSMHGAOEJ-XMMPIXPASA-N 0 3 536.639 4.648 50 0 KJAAHN Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@@H]3c3cccs3)C[C@H]2C)c1 ZINC000245228486 572204945 /nfs/dbraw/zinc/20/49/45/572204945.db2.gz AEJGEXGPOFVQGY-MWVDVNALSA-N 0 3 516.711 4.684 50 0 KJAAHN Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@H]3c3cccs3)C[C@H]2C)c1 ZINC000245228487 572204924 /nfs/dbraw/zinc/20/49/24/572204924.db2.gz AEJGEXGPOFVQGY-OFEZKSIWSA-N 0 3 516.711 4.684 50 0 KJAAHN Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@H]3c3cccs3)C[C@@H]2C)c1 ZINC000245228488 572205346 /nfs/dbraw/zinc/20/53/46/572205346.db2.gz AEJGEXGPOFVQGY-ZGOJTZKKSA-N 0 3 516.711 4.684 50 0 KJAAHN CCc1ccc(-c2nc3sc(N(C)CC(=O)NCCN4CCCC[C@H]4C)nn3c2NC(C)(C)C)cc1 ZINC000245238160 572211516 /nfs/dbraw/zinc/21/15/16/572211516.db2.gz ZOPHNQAKAFQNFV-LJQANCHMSA-N 0 3 511.740 4.657 50 0 KJAAHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000245238379 572211908 /nfs/dbraw/zinc/21/19/08/572211908.db2.gz MLASZEUJFPJEAY-KYMCINELSA-N 0 3 506.687 4.986 50 0 KJAAHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)CN1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000245238380 572211946 /nfs/dbraw/zinc/21/19/46/572211946.db2.gz MLASZEUJFPJEAY-UWQCJCJPSA-N 0 3 506.687 4.986 50 0 KJAAHN O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCN2CCC[C@H]2C1 ZINC000245238579 572212404 /nfs/dbraw/zinc/21/24/04/572212404.db2.gz UTDNFSHITUPIRW-HRCADAONSA-N 0 3 532.792 4.880 50 0 KJAAHN O=C(c1ccccn1)C1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000245240271 572213709 /nfs/dbraw/zinc/21/37/09/572213709.db2.gz PGKSFOBXHNEJOC-YTEUAAESSA-N 0 3 503.583 4.999 50 0 KJAAHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000245245161 572217315 /nfs/dbraw/zinc/21/73/15/572217315.db2.gz ASKBTZIWPQXAHJ-KWXIBIRDSA-N 0 3 676.725 4.839 50 0 KJAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000245247200 572220418 /nfs/dbraw/zinc/22/04/18/572220418.db2.gz RLZDRXPLIPXJAK-OZNIXHKMSA-N 0 3 556.596 4.514 50 0 KJAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@H]3C2=O)c1 ZINC000245309099 572227115 /nfs/dbraw/zinc/22/71/15/572227115.db2.gz AYBMZNQKYRKQDE-JCYYIGJDSA-N 0 3 540.597 4.814 50 0 KJAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OC)c(Br)c3)[C@H]2C1=O ZINC000245309461 572227641 /nfs/dbraw/zinc/22/76/41/572227641.db2.gz DEFWJFLZTDZMDE-TZRRMPRUSA-N 0 3 523.383 4.908 50 0 KJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 ZINC000245309646 572227510 /nfs/dbraw/zinc/22/75/10/572227510.db2.gz DQBHENFMJQEKBL-FKCDAAJZSA-N 0 3 518.566 4.552 50 0 KJAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C1=O ZINC000245310387 572228074 /nfs/dbraw/zinc/22/80/74/572228074.db2.gz IRHSOAZMWCCHOB-OZNIXHKMSA-N 0 3 540.597 4.814 50 0 KJAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000245310407 572227956 /nfs/dbraw/zinc/22/79/56/572227956.db2.gz JAFRYOZMXQRUJI-OZNIXHKMSA-N 0 3 520.541 4.966 50 0 KJAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cc(Br)ccc3OC)[C@H]2C1=O ZINC000245310687 572228836 /nfs/dbraw/zinc/22/88/36/572228836.db2.gz JTIRNWDGRKBKGI-WXFUMESZSA-N 0 3 523.383 4.908 50 0 KJAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1 ZINC000245311007 572228931 /nfs/dbraw/zinc/22/89/31/572228931.db2.gz LIBDXMDOAPMSDR-TZRRMPRUSA-N 0 3 523.383 4.908 50 0 KJAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1 ZINC000245311018 572228730 /nfs/dbraw/zinc/22/87/30/572228730.db2.gz LMTASRWXQJSKHM-INNMJMHTSA-N 0 3 532.593 4.942 50 0 KJAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)c1 ZINC000245311026 572228617 /nfs/dbraw/zinc/22/86/17/572228617.db2.gz LQOZLPOWRIIDBC-XPWALMASSA-N 0 3 509.356 4.517 50 0 KJAAHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)c1 ZINC000245311067 572228662 /nfs/dbraw/zinc/22/86/62/572228662.db2.gz LZOAYYBRTWSPBI-WXFUMESZSA-N 0 3 523.383 4.908 50 0 KJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000245311299 572229433 /nfs/dbraw/zinc/22/94/33/572229433.db2.gz MSCMGAYIEHZOGR-UBFVSLLYSA-N 0 3 508.958 4.894 50 0 KJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@H]3C2=O)cc1 ZINC000245311677 572229471 /nfs/dbraw/zinc/22/94/71/572229471.db2.gz PZOAVUVOTVTTCY-JCYYIGJDSA-N 0 3 540.597 4.814 50 0 KJAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)c1 ZINC000245311686 572229616 /nfs/dbraw/zinc/22/96/16/572229616.db2.gz QGGHOGJQZWHCFH-JCYYIGJDSA-N 0 3 540.597 4.814 50 0 KJAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245311707 572229580 /nfs/dbraw/zinc/22/95/80/572229580.db2.gz QOGNHDGKUZYEBQ-YRUYCOJQSA-N 0 3 528.992 4.919 50 0 KJAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4OC)[C@H]3C2=O)cc1 ZINC000245312335 572229954 /nfs/dbraw/zinc/22/99/54/572229954.db2.gz UNGVCUZYNZMLNZ-JCYYIGJDSA-N 0 3 532.593 4.942 50 0 KJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4OC)[C@H]3C2=O)cc1 ZINC000245312356 572229708 /nfs/dbraw/zinc/22/97/08/572229708.db2.gz USMLGOCMAVDZAG-ZONZVBGPSA-N 0 3 518.566 4.552 50 0 KJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000245312781 572230206 /nfs/dbraw/zinc/23/02/06/572230206.db2.gz WVIQMLLJZZBOCT-OZNIXHKMSA-N 0 3 540.597 4.814 50 0 KJAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C1=O ZINC000245312827 572230368 /nfs/dbraw/zinc/23/03/68/572230368.db2.gz XPIBMGMTTNTAFQ-OZNIXHKMSA-N 0 3 540.597 4.814 50 0 KJAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@H]2C1=O ZINC000245312904 572230137 /nfs/dbraw/zinc/23/01/37/572230137.db2.gz YOQWWPKGYIQFCM-OZNIXHKMSA-N 0 3 520.541 4.966 50 0 KJAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)c(OC)c4)[C@H]3C2=O)cc1 ZINC000245312907 572230176 /nfs/dbraw/zinc/23/01/76/572230176.db2.gz YQHMCXNPSUVVDG-RGSZASNESA-N 0 3 518.566 4.552 50 0 KJAAHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4Cl)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000245325641 572232162 /nfs/dbraw/zinc/23/21/62/572232162.db2.gz GSQZDYYGRHMAIA-NJDAHSKKSA-N 0 3 555.008 4.724 50 0 KJAAHN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)NCc1ccccc1 ZINC000245326669 572232950 /nfs/dbraw/zinc/23/29/50/572232950.db2.gz GWVPYOARSCMZKI-RBTNQOKQSA-N 0 3 520.674 4.667 50 0 KJAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@H]3C2=O)c1 ZINC000245327354 572234166 /nfs/dbraw/zinc/23/41/66/572234166.db2.gz OOMMYEXRWKFMJF-BHIFYINESA-N 0 3 517.994 4.912 50 0 KJAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@H]3C2=O)cc1 ZINC000245328156 572234870 /nfs/dbraw/zinc/23/48/70/572234870.db2.gz SLFHHAKBDIOKSZ-YPAWHYETSA-N 0 3 517.994 4.912 50 0 KJAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@H]2C1=O ZINC000245329219 572235641 /nfs/dbraw/zinc/23/56/41/572235641.db2.gz YFLRBLNXCVATHI-YPAWHYETSA-N 0 3 517.994 4.912 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@H](c2cccc(Cl)c2)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000245343173 572237713 /nfs/dbraw/zinc/23/77/13/572237713.db2.gz HESLAXFJYDRETO-XPWALMASSA-N 0 3 554.828 4.761 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@H](c2ccccc2Cl)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000245343212 572237664 /nfs/dbraw/zinc/23/76/64/572237664.db2.gz IFSOWNAICFQDNX-XPWALMASSA-N 0 3 554.828 4.761 50 0 KJAAHN CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccccc2Cl)cc1 ZINC000245343212 572237661 /nfs/dbraw/zinc/23/76/61/572237661.db2.gz IFSOWNAICFQDNX-XPWALMASSA-N 0 3 554.828 4.761 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@H](c2ccc(Cl)cc2)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000245343248 572238103 /nfs/dbraw/zinc/23/81/03/572238103.db2.gz JNQBTWDSOBSRFN-XPWALMASSA-N 0 3 554.828 4.761 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@H](c2ccc(SC)cc2)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000245343353 572238660 /nfs/dbraw/zinc/23/86/60/572238660.db2.gz MNWWZZSIMSKFSL-TZRRMPRUSA-N 0 3 566.477 4.830 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@H](c2cc(Br)ccc2OC)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000245343442 572238930 /nfs/dbraw/zinc/23/89/30/572238930.db2.gz OXTBWQHAKSYZED-TZRRMPRUSA-N 0 3 629.305 4.879 50 0 KJAAHN CCOc1ccc(N2C(=O)C3[C@H](C2=O)[C@@H](c2ccccc2OCC)NN3C(=O)c2cccc(Br)c2)cc1 ZINC000245343452 572238951 /nfs/dbraw/zinc/23/89/51/572238951.db2.gz PFPLKXKFYKWWIW-UBFVSLLYSA-N 0 3 564.436 4.506 50 0 KJAAHN O=C(CN(C[C@H](O)COCc1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000247729908 572244166 /nfs/dbraw/zinc/24/41/66/572244166.db2.gz GKDPDFJSNIDVSF-LBNVMWSVSA-N 0 3 538.685 4.682 50 0 KJAAHN O=C(CN(C[C@@H](O)COCc1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000247729909 572244227 /nfs/dbraw/zinc/24/42/27/572244227.db2.gz GKDPDFJSNIDVSF-LEAFIULHSA-N 0 3 538.685 4.682 50 0 KJAAHN C[C@@H]1C[C@H](C(=O)Oc2ccc([C@@H]3[C@@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C(=O)C4ON3c3ccccc3)cc2)N(C)N1 ZINC000247743947 572244462 /nfs/dbraw/zinc/24/44/62/572244462.db2.gz PJAHPKZIAHIBAP-DKVZCVDGSA-N 0 3 581.456 4.547 50 0 KJAAHN C[C@@H]1C[C@H](C(=O)Oc2ccc([C@@H]3[C@@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C(=O)C4ON3c3ccccc3)cc2)N(C)N1 ZINC000247743951 572244398 /nfs/dbraw/zinc/24/43/98/572244398.db2.gz PJAHPKZIAHIBAP-NHNMTILXSA-N 0 3 581.456 4.547 50 0 KJAAHN Cn1c(CN2CCC[C@@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000247962330 572250949 /nfs/dbraw/zinc/25/09/49/572250949.db2.gz FOZUOAIIJHBIPB-HHHXNRCGSA-N 0 3 507.682 4.719 50 0 KJAAHN Cn1c(CN2CCC[C@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000247962332 572250985 /nfs/dbraw/zinc/25/09/85/572250985.db2.gz FOZUOAIIJHBIPB-MHZLTWQESA-N 0 3 507.682 4.719 50 0 KJAAHN CCCN1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247971536 572251126 /nfs/dbraw/zinc/25/11/26/572251126.db2.gz DJNJSTDJCQQFER-NRFANRHFSA-N 0 3 524.507 4.554 50 0 KJAAHN CCCN1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247971538 572251221 /nfs/dbraw/zinc/25/12/21/572251221.db2.gz DJNJSTDJCQQFER-OAQYLSRUSA-N 0 3 524.507 4.554 50 0 KJAAHN CC(C)N1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000247990688 572251551 /nfs/dbraw/zinc/25/15/51/572251551.db2.gz KFLDZXZMPVTOEJ-UHFFFAOYSA-N 0 3 524.507 4.553 50 0 KJAAHN CC(C)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248004527 572251984 /nfs/dbraw/zinc/25/19/84/572251984.db2.gz PAQNJYXCJVTYNQ-NRFANRHFSA-N 0 3 524.507 4.553 50 0 KJAAHN CC(C)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248004539 572251962 /nfs/dbraw/zinc/25/19/62/572251962.db2.gz PAQNJYXCJVTYNQ-OAQYLSRUSA-N 0 3 524.507 4.553 50 0 KJAAHN CC(C)N1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)CC1 ZINC000248007286 572252255 /nfs/dbraw/zinc/25/22/55/572252255.db2.gz PXQNJYCDYKLJEI-UHFFFAOYSA-N 0 3 524.507 4.553 50 0 KJAAHN CCCN1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248012754 572252294 /nfs/dbraw/zinc/25/22/94/572252294.db2.gz RWOKSRQGVNUWSA-NRFANRHFSA-N 0 3 524.507 4.554 50 0 KJAAHN CCCN1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248012757 572252199 /nfs/dbraw/zinc/25/21/99/572252199.db2.gz RWOKSRQGVNUWSA-OAQYLSRUSA-N 0 3 524.507 4.554 50 0 KJAAHN CCCN1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)CC1 ZINC000248019993 572252166 /nfs/dbraw/zinc/25/21/66/572252166.db2.gz UGUMFVUIHFORQI-UHFFFAOYSA-N 0 3 524.507 4.554 50 0 KJAAHN CCCN1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000248028782 572252615 /nfs/dbraw/zinc/25/26/15/572252615.db2.gz XAMAWEKDPWMKNE-UHFFFAOYSA-N 0 3 524.507 4.554 50 0 KJAAHN CC(C)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000248031636 572252786 /nfs/dbraw/zinc/25/27/86/572252786.db2.gz XUHHORISVOJBIC-NRFANRHFSA-N 0 3 524.507 4.553 50 0 KJAAHN CC(C)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000248031642 572252797 /nfs/dbraw/zinc/25/27/97/572252797.db2.gz XUHHORISVOJBIC-OAQYLSRUSA-N 0 3 524.507 4.553 50 0 KJAAHN CCCCN1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000248214644 572256768 /nfs/dbraw/zinc/25/67/68/572256768.db2.gz FSFZYRLJOWHJBY-DEOSSOPVSA-N 0 3 508.110 4.894 50 0 KJAAHN CCCCN1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000248214645 572256803 /nfs/dbraw/zinc/25/68/03/572256803.db2.gz FSFZYRLJOWHJBY-XMMPIXPASA-N 0 3 508.110 4.894 50 0 KJAAHN CCCCN1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248215421 572256694 /nfs/dbraw/zinc/25/66/94/572256694.db2.gz GBCVQKOJAYDMIM-JOCHJYFZSA-N 0 3 538.534 4.944 50 0 KJAAHN CCCCN1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248215425 572256777 /nfs/dbraw/zinc/25/67/77/572256777.db2.gz GBCVQKOJAYDMIM-QFIPXVFZSA-N 0 3 538.534 4.944 50 0 KJAAHN CCCCN1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000248216743 572256757 /nfs/dbraw/zinc/25/67/57/572256757.db2.gz GMZKURRXQCOEMY-UHFFFAOYSA-N 0 3 538.534 4.944 50 0 KJAAHN CCCCN1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000248226395 572256707 /nfs/dbraw/zinc/25/67/07/572256707.db2.gz JJTASMZJJPRATA-JOCHJYFZSA-N 0 3 538.534 4.944 50 0 KJAAHN CCCCN1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000248226398 572256782 /nfs/dbraw/zinc/25/67/82/572256782.db2.gz JJTASMZJJPRATA-QFIPXVFZSA-N 0 3 538.534 4.944 50 0 KJAAHN CCCCN1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)CC1 ZINC000248230356 572256733 /nfs/dbraw/zinc/25/67/33/572256733.db2.gz KQJFEOQKNUERSK-UHFFFAOYSA-N 0 3 538.534 4.944 50 0 KJAAHN CCOc1ccc(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)C3=CC4C=CC=C[C@H]4OC3=O)c2)cc1 ZINC000250630060 572259139 /nfs/dbraw/zinc/25/91/39/572259139.db2.gz JULSCCCEJMJNPA-AAPMYIMTSA-N 0 3 618.690 4.656 50 0 KJAAHN CCOc1ccc(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)C3=CC4C=CC=C[C@H]4OC3=O)c2)cc1 ZINC000250630066 572259155 /nfs/dbraw/zinc/25/91/55/572259155.db2.gz JULSCCCEJMJNPA-LMRUDWOVSA-N 0 3 618.690 4.656 50 0 KJAAHN CCOc1ccc(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)C3=CC4C=CC=C[C@@H]4OC3=O)c2)cc1 ZINC000250630067 572259172 /nfs/dbraw/zinc/25/91/72/572259172.db2.gz JULSCCCEJMJNPA-VGAUOYQKSA-N 0 3 618.690 4.656 50 0 KJAAHN CCCCN(C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252584444 572263887 /nfs/dbraw/zinc/26/38/87/572263887.db2.gz AMKHQRQMVDELJQ-HNMGSOKFSA-N 0 3 578.798 4.572 50 0 KJAAHN CCCCN(C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252584445 572263902 /nfs/dbraw/zinc/26/39/02/572263902.db2.gz AMKHQRQMVDELJQ-SUHMZQMOSA-N 0 3 578.798 4.572 50 0 KJAAHN CCCCN(C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000252584446 572263883 /nfs/dbraw/zinc/26/38/83/572263883.db2.gz AMKHQRQMVDELJQ-ULGNZFCMSA-N 0 3 578.798 4.572 50 0 KJAAHN CCCCN(C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252584447 572263895 /nfs/dbraw/zinc/26/38/95/572263895.db2.gz AMKHQRQMVDELJQ-YDSVMRRDSA-N 0 3 578.798 4.572 50 0 KJAAHN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCCN3CCN(Cc4ccccc4)CC3)C(=O)[C@H]3[C@H](C(=O)Nc4cccc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@@H]1C ZINC000252584464 572263866 /nfs/dbraw/zinc/26/38/66/572263866.db2.gz APHHZPIAENPGGF-FGWQOCDGSA-N 0 3 674.286 4.578 50 0 KJAAHN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCCN3CCN(Cc4ccccc4)CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4cccc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@@H]1C ZINC000252584465 572263873 /nfs/dbraw/zinc/26/38/73/572263873.db2.gz APHHZPIAENPGGF-FKEHZRPMSA-N 0 3 674.286 4.578 50 0 KJAAHN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCCN3CCN(Cc4ccccc4)CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4cccc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@H]1C ZINC000252584466 572263878 /nfs/dbraw/zinc/26/38/78/572263878.db2.gz APHHZPIAENPGGF-QNLDKRPASA-N 0 3 674.286 4.578 50 0 KJAAHN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCCN3CCN(Cc4ccccc4)CC3)C(=O)[C@H]3[C@H](C(=O)Nc4cccc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@H]1C ZINC000252584467 572263870 /nfs/dbraw/zinc/26/38/70/572263870.db2.gz APHHZPIAENPGGF-YDZGVGSHSA-N 0 3 674.286 4.578 50 0 KJAAHN CN(CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252585657 572264808 /nfs/dbraw/zinc/26/48/08/572264808.db2.gz KFDGOINRGGKHRC-LBULEFPHSA-N 0 3 635.603 4.509 50 0 KJAAHN CN(CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252585658 572264763 /nfs/dbraw/zinc/26/47/63/572264763.db2.gz KFDGOINRGGKHRC-QGTBSMAUSA-N 0 3 635.603 4.509 50 0 KJAAHN CC[C@@H]1CCCCN1CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000252586304 572265279 /nfs/dbraw/zinc/26/52/79/572265279.db2.gz OZEFJHJIZICZPC-CNGVGYLASA-N 0 3 576.782 4.613 50 0 KJAAHN CC[C@@H]1CCCCN1CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000252586305 572265250 /nfs/dbraw/zinc/26/52/50/572265250.db2.gz OZEFJHJIZICZPC-VJHLNSMISA-N 0 3 576.782 4.613 50 0 KJAAHN CCCCN(C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000252587441 572266159 /nfs/dbraw/zinc/26/61/59/572266159.db2.gz YJMCQCAQVHBOMO-NAFNOZOPSA-N 0 3 600.760 4.749 50 0 KJAAHN CCCCN(C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000252587442 572266169 /nfs/dbraw/zinc/26/61/69/572266169.db2.gz YJMCQCAQVHBOMO-TUMUZXABSA-N 0 3 600.760 4.749 50 0 KJAAHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 ZINC000253387503 572282545 /nfs/dbraw/zinc/28/25/45/572282545.db2.gz IYMILNLWPOOXJA-USOMCTOXSA-N 0 3 515.629 4.916 50 0 KJAAHN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000253388989 572283167 /nfs/dbraw/zinc/28/31/67/572283167.db2.gz QBCOHNWRCKPACX-KCWXNJEJSA-N 0 3 505.659 4.527 50 0 KJAAHN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000253388990 572283195 /nfs/dbraw/zinc/28/31/95/572283195.db2.gz QBCOHNWRCKPACX-ONOMSOESSA-N 0 3 505.659 4.527 50 0 KJAAHN CC(=O)Oc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@]3(c4ccccc4NC3=O)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000253488125 572291304 /nfs/dbraw/zinc/29/13/04/572291304.db2.gz XJOPJYXYFWDENA-AOFBEVEVSA-N 0 3 555.590 4.863 50 0 KJAAHN CC(=O)Oc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@]3(c4ccccc4NC3=O)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000253488126 572291285 /nfs/dbraw/zinc/29/12/85/572291285.db2.gz XJOPJYXYFWDENA-HPNWTYDNSA-N 0 3 555.590 4.863 50 0 KJAAHN Clc1ccc(Cn2nc(CNCCCSc3nnnn3-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000261492009 572110490 /nfs/dbraw/zinc/11/04/90/572110490.db2.gz PDXRMXDKURHDFE-UHFFFAOYSA-N 0 3 517.062 4.895 50 0 KJAAHN Clc1cccc(Cn2nc(CNCCCSc3nnnn3-c3ccccc3)c(-c3ccccc3)n2)c1 ZINC000261492147 572110300 /nfs/dbraw/zinc/11/03/00/572110300.db2.gz RHXMIWSAFAFACJ-UHFFFAOYSA-N 0 3 517.062 4.895 50 0 KJAAHN Clc1ccccc1Cn1nc(CNCCCSc2nnnn2-c2ccccc2)c(-c2ccccc2)n1 ZINC000261492644 572111059 /nfs/dbraw/zinc/11/10/59/572111059.db2.gz XLRNHNZQYXWGFU-UHFFFAOYSA-N 0 3 517.062 4.895 50 0 KJAAHN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263584878 572115473 /nfs/dbraw/zinc/11/54/73/572115473.db2.gz BTEWVFFQWJXYEC-WSOBSPQKSA-N 0 3 666.885 4.777 50 0 KJAAHN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586198 572122054 /nfs/dbraw/zinc/12/20/54/572122054.db2.gz RFEKEWRXWKHBCI-RWAXGWBCSA-N 0 3 634.818 4.680 50 0 KJAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3cccnc3)C[C@@H]2CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000299780060 572136469 /nfs/dbraw/zinc/13/64/69/572136469.db2.gz OWJBDIBQBCUQOD-LBNVMWSVSA-N 0 3 531.676 4.661 50 0 KJAAHN COC(=O)CC[C@H]1CN(Cc2cc(OC)cc(OC)c2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299788880 572136991 /nfs/dbraw/zinc/13/69/91/572136991.db2.gz YOHCGILQPOQXOP-WXVAWEFUSA-N 0 3 549.634 4.689 50 0 KJAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)cc1 ZINC000299790579 572137182 /nfs/dbraw/zinc/13/71/82/572137182.db2.gz BQYUYRIXIXQNPI-UHFFFAOYSA-N 0 3 529.710 4.582 50 0 KJAAHN COc1ccc(CN[C@@H]2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(Cc3ccccc3)C2)c(OC)c1 ZINC000299795911 1066394393 /nfs/dbraw/zinc/39/43/93/1066394393.db2.gz MZQIAWCBWVOUNO-UHSQPCAPSA-N 0 3 582.667 4.804 50 0 KJAAHN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@@H](NCc3ccc(F)cc3F)CN1C/C=C/c1ccccc1)CC2 ZINC000299797131 1066394487 /nfs/dbraw/zinc/39/44/87/1066394487.db2.gz MMDPCBLFLCCYPY-SIEDVDIUSA-N 0 3 547.646 4.813 50 0 KJAAHN COC(=O)CC[C@H]1CN(Cc2cccc(F)c2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299797272 572137058 /nfs/dbraw/zinc/13/70/58/572137058.db2.gz NFPGUNSXNYJIGB-SQJMNOBHSA-N 0 3 507.572 4.810 50 0 KJAAHN COc1cc(OC)c(OC)cc1CN[C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(Cc2cccc(Cl)c2)C1 ZINC000299800603 1066394557 /nfs/dbraw/zinc/39/45/57/1066394557.db2.gz XACRSGLDCWBUBY-AHWVRZQESA-N 0 3 556.078 4.597 50 0 KJAAHN COc1ccc(NC(=O)C2(N(CCc3c[nH]c4ccccc34)C(=O)c3ccccc3)CCN(C)CC2)c(OC)c1 ZINC000575443845 1066468578 /nfs/dbraw/zinc/46/85/78/1066468578.db2.gz MRSGESGZVVFCKC-UHFFFAOYSA-N 0 3 540.664 4.973 50 0 KJAAHN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(N3CCC(Oc4ncc(C(F)(F)F)cc4Cl)CC3)CC2)c(C)c1 ZINC000618255905 1066501064 /nfs/dbraw/zinc/50/10/64/1066501064.db2.gz BSOACXIJOAVJQH-UHFFFAOYSA-N 0 3 575.053 4.717 50 0 KJAAHN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCC(N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000618256182 1066501649 /nfs/dbraw/zinc/50/16/49/1066501649.db2.gz FQDDMCHBVRYFEW-UHFFFAOYSA-N 0 3 577.673 4.659 50 0 KJAAHN COCC(=O)Oc1cccc2ccc(CN3CCC(N4CCN(c5ncc(C(F)(F)F)cc5Cl)CC4)CC3)nc21 ZINC000618256186 1066501797 /nfs/dbraw/zinc/50/17/97/1066501797.db2.gz FQHFYSHMNHKRQA-UHFFFAOYSA-N 0 3 578.035 4.640 50 0 KJAAHN Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)CC2)c(C)c1 ZINC000618256391 1066501779 /nfs/dbraw/zinc/50/17/79/1066501779.db2.gz IMGXZFIBPIOXKW-UHFFFAOYSA-N 0 3 511.610 4.722 50 0 KJAAHN CC(C)C(=O)Oc1cccc2ccc(CN3CCC(N4CCN(c5ccc(C(F)(F)F)cn5)CC4)CC3)nc21 ZINC000618256678 1066501961 /nfs/dbraw/zinc/50/19/61/1066501961.db2.gz LPFHUYMMCCRFGP-UHFFFAOYSA-N 0 3 541.618 4.997 50 0 KJAAHN O=S(=O)(c1ccc2ccccc2c1)N1CCC(N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000618257292 1066501677 /nfs/dbraw/zinc/50/16/77/1066501677.db2.gz UFZIUPRHWFGPEL-UHFFFAOYSA-N 0 3 519.589 4.950 50 0 KJAAHN COc1ccc(CN2CCC(NC(=O)CCCNc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)cc1 ZINC000888088670 1066395846 /nfs/dbraw/zinc/39/58/46/1066395846.db2.gz LADOEIMBNWYZLC-HKBQPEDESA-N 0 3 672.823 4.845 50 0 KJAAHN [NH3+]Cc1cccc(C(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2[O-])O4)c1 ZINC000952857311 1066508239 /nfs/dbraw/zinc/50/82/39/1066508239.db2.gz RFVDONUFOLGLES-WJOKGBTCSA-N 0 3 549.627 4.943 50 0 KJAAHN [NH3+]Cc1ccc(C(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2[O-])O4)cc1 ZINC000952857775 1066508417 /nfs/dbraw/zinc/50/84/17/1066508417.db2.gz ULOAEBCVCBMUCA-WJOKGBTCSA-N 0 3 549.627 4.943 50 0 KJAAHN