smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(CNCc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F ZINC000022076779 520721513 /nfs/dbraw/zinc/72/15/13/520721513.db2.gz OBSLYSHZXKUTHT-UHFFFAOYSA-N 0 3 429.919 5.755 40 0 IKABHN CCOc1cc(CNCc2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016688504 520725223 /nfs/dbraw/zinc/72/52/23/520725223.db2.gz QQWJMPRVUFZHOX-UHFFFAOYSA-N 0 3 444.344 5.856 40 0 IKABHN COc1cc(CNCc2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000022073635 522468442 /nfs/dbraw/zinc/46/84/42/522468442.db2.gz IIIFCHAXTCOLPI-UHFFFAOYSA-N 0 3 430.317 5.466 40 0 IKABHN COc1cc(OC[C@@H]2CN(C)CC[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000022059591 522892885 /nfs/dbraw/zinc/89/28/85/522892885.db2.gz GVRONNVSYJRJGV-DHLKQENFSA-N 0 3 435.539 5.528 40 0 in-vitro IKABHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000035396504 526213246 /nfs/dbraw/zinc/21/32/46/526213246.db2.gz XKSWRUYYSKZLQA-RSXGOPAZSA-N 0 3 446.978 5.676 40 0 IKABHN O=C([C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1)N1CCC(Cc2ccccc2)CC1 ZINC000020521953 526538383 /nfs/dbraw/zinc/53/83/83/526538383.db2.gz JQUDXHRYILULGK-QHCPKHFHSA-N 0 3 444.541 5.399 40 0 IKABHN Clc1ccc(Cl)c(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)c1 ZINC000022108109 526952829 /nfs/dbraw/zinc/95/28/29/526952829.db2.gz XOLVFKZCLBFRLH-UHFFFAOYSA-N 0 3 446.363 5.111 40 0 IKABHN O=C(C[C@H]1CCC[C@@H](CC(=O)c2ccccc2)N1CCc1ccccc1)c1ccccc1 ZINC000005082445 556031628 /nfs/dbraw/zinc/03/16/28/556031628.db2.gz SUJNXAOXYNOELZ-MKPDMIMOSA-N 0 3 425.572 5.998 40 0 IKABHN O=C(C[C@@H]1CCC[C@@H](CC(=O)c2ccccc2)N1CCc1ccccc1)c1ccccc1 ZINC000005082450 556031714 /nfs/dbraw/zinc/03/17/14/556031714.db2.gz SUJNXAOXYNOELZ-SVBPBHIXSA-N 0 3 425.572 5.998 40 0 IKABHN COc1ccc2c(c1)N[C@@]1(COC3(C1)CCN(Cc1ccccc1Cl)CC3)c1cccn1-2 ZINC000012086186 556399682 /nfs/dbraw/zinc/39/96/82/556399682.db2.gz ZDKYNBCYHBXLSO-SANMLTNESA-N 0 3 449.982 5.215 40 0 IKABHN O=C(Nc1ccc(CSc2ccccc2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039761178 556436242 /nfs/dbraw/zinc/43/62/42/556436242.db2.gz KGLJGZORUXQVSQ-UHFFFAOYSA-N 0 3 434.580 5.969 40 0 IKABHN Cc1cccc(CN2CCC(C(=O)NCc3ccc(OCc4ccc(F)cc4)cc3)CC2)c1 ZINC000039759542 556441958 /nfs/dbraw/zinc/44/19/58/556441958.db2.gz VPLOLEPGFFZXGO-UHFFFAOYSA-N 0 3 446.566 5.242 40 0 IKABHN CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000030943335 556516586 /nfs/dbraw/zinc/51/65/86/556516586.db2.gz OMJDKHOZDMXBDH-HXUWFJFHSA-N 0 3 428.960 5.148 40 0 IKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)CC1 ZINC000030947141 556517270 /nfs/dbraw/zinc/51/72/70/556517270.db2.gz FTOOAQJNBBDOGE-UHFFFAOYSA-N 0 3 442.647 6.639 40 0 IKABHN Cc1c(Cl)ccc2c([C@H](O)CNCc3ccccc3)cc(-c3ccc(Cl)cc3)nc12 ZINC000031614441 556524792 /nfs/dbraw/zinc/52/47/92/556524792.db2.gz QGSBHKGMFVUSRO-XMMPIXPASA-N 0 3 437.370 6.340 40 0 IKABHN CCOC(=O)c1c(NC(=O)c2ccc(CN3CCCCC3)cc2)sc2c1CCCC2 ZINC000013678123 556555507 /nfs/dbraw/zinc/55/55/07/556555507.db2.gz UHEAIWMYCDSDIM-UHFFFAOYSA-N 0 3 426.582 5.042 40 0 IKABHN C1CCC[C@H]2CCCN3CC[C@H](CCCCCC[C@H]4CCCN5CC[C@H](CC1)O[C@@H]45)O[C@H]23 ZINC000090755008 556587714 /nfs/dbraw/zinc/58/77/14/556587714.db2.gz PQYOPBRFUUEHRC-FRZROCRGSA-N 0 3 446.720 6.335 40 0 IKABHN COc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016195494 556589895 /nfs/dbraw/zinc/58/98/95/556589895.db2.gz LWWJWFYCWHQMJN-UHFFFAOYSA-N 0 3 434.338 6.052 40 0 IKABHN COc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccccc1Cl ZINC000016195823 556590449 /nfs/dbraw/zinc/59/04/49/556590449.db2.gz CUYGFLXUNQOUBA-UHFFFAOYSA-N 0 3 434.338 6.052 40 0 IKABHN COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1c(Cl)cccc1Cl ZINC000016196272 556590489 /nfs/dbraw/zinc/59/04/89/556590489.db2.gz HIVPSOGAIFZTLU-UHFFFAOYSA-N 0 3 446.330 5.600 40 0 IKABHN COc1ccc(CCNCc2cccc(OC)c2OCc2ccc(Cl)cc2Cl)cc1 ZINC000016216643 556591940 /nfs/dbraw/zinc/59/19/40/556591940.db2.gz NVUYXGOTHHOVMM-UHFFFAOYSA-N 0 3 446.374 5.922 40 0 IKABHN COc1ccc(CCNCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1OC ZINC000016227420 556593123 /nfs/dbraw/zinc/59/31/23/556593123.db2.gz CDGJIBBWNYVSCH-UHFFFAOYSA-N 0 3 446.374 5.922 40 0 IKABHN Clc1ccccc1COc1ccc(Br)cc1CNCCc1ccccc1 ZINC000016479340 556611244 /nfs/dbraw/zinc/61/12/44/556611244.db2.gz IHMPOOHHKRQPJF-UHFFFAOYSA-N 0 3 430.773 6.014 40 0 IKABHN O=C(NCCSCc1ccccc1Cl)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038837370 556623428 /nfs/dbraw/zinc/62/34/28/556623428.db2.gz OTZMVAIKGMZTRE-SFHVURJKSA-N 0 3 437.436 5.255 40 0 IKABHN O=C(NCCSCc1ccccc1Cl)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038837373 556623682 /nfs/dbraw/zinc/62/36/82/556623682.db2.gz OTZMVAIKGMZTRE-GOSISDBHSA-N 0 3 437.436 5.255 40 0 IKABHN CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016688458 556626390 /nfs/dbraw/zinc/62/63/90/556626390.db2.gz ZGEJKLMWDLOLRX-JOCHJYFZSA-N 0 3 446.374 5.794 40 0 IKABHN CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016688683 556626712 /nfs/dbraw/zinc/62/67/12/556626712.db2.gz MYMYIXPUYLISFR-JOCHJYFZSA-N 0 3 446.374 5.794 40 0 IKABHN Cc1ccc(CN2C(=O)C(CC(=O)Nc3ccc(C)cc3C)n3c4ccccc4nc32)cc1 ZINC000039964003 556630993 /nfs/dbraw/zinc/63/09/93/556630993.db2.gz BHMAPFATEGQUDA-DEOSSOPVSA-N 0 3 438.531 5.078 40 0 IKABHN CN(C)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000016768336 556640074 /nfs/dbraw/zinc/64/00/74/556640074.db2.gz QIWVGQNMSUPDMA-UHFFFAOYSA-N 0 3 425.458 5.080 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000101071418 556653513 /nfs/dbraw/zinc/65/35/13/556653513.db2.gz GWFDKPXTLMKEHJ-ZVDOUQERSA-N 0 3 439.298 5.045 40 0 IKABHN CCOc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000044851489 556670431 /nfs/dbraw/zinc/67/04/31/556670431.db2.gz VIRSVCLYLLGXDN-UHFFFAOYSA-N 0 3 428.576 5.006 40 0 IKABHN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN(Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855175 556671286 /nfs/dbraw/zinc/67/12/86/556671286.db2.gz QBBDWPFHEWIHBM-DENIHFKCSA-N 0 3 426.988 5.279 40 0 IKABHN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(CN3CCc4ccccc4C3)cc1)CC(C)(C)O2 ZINC000044855279 556671329 /nfs/dbraw/zinc/67/13/29/556671329.db2.gz SIKJKYXOZMGNLB-AREMUKBSSA-N 0 3 440.587 5.586 40 0 IKABHN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044855326 556671680 /nfs/dbraw/zinc/67/16/80/556671680.db2.gz OAAGBHZUELTVFN-DENIHFKCSA-N 0 3 426.988 5.279 40 0 IKABHN O[C@@H](CN1CCCCC1)CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000017666637 556678567 /nfs/dbraw/zinc/67/85/67/556678567.db2.gz WEOJIUMBVVUGJJ-HOFKKMOUSA-N 0 3 435.656 5.229 40 0 IKABHN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000044915932 556681174 /nfs/dbraw/zinc/68/11/74/556681174.db2.gz PICLRXBQJCHWSD-UHFFFAOYSA-N 0 3 446.550 5.728 40 0 IKABHN CC(C)Oc1cccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044916034 556681373 /nfs/dbraw/zinc/68/13/73/556681373.db2.gz UCIRIDQWKSQHAG-JOCHJYFZSA-N 0 3 429.004 5.088 40 0 IKABHN Cc1ccccc1[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000044937737 556682999 /nfs/dbraw/zinc/68/29/99/556682999.db2.gz LCUJQHZZILIEHY-SSEXGKCCSA-N 0 3 446.594 6.073 40 0 IKABHN Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000013661067 556708493 /nfs/dbraw/zinc/70/84/93/556708493.db2.gz SBXXZWYDZDXGMP-ZNZIZOMTSA-N 0 3 434.495 5.199 40 0 IKABHN COc1c(C)cccc1CN1CCC([C@@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 ZINC000019235928 556720373 /nfs/dbraw/zinc/72/03/73/556720373.db2.gz YMIGXUQRSPBLFJ-AREMUKBSSA-N 0 3 435.612 5.048 40 0 IKABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)cc1 ZINC000013771000 556730703 /nfs/dbraw/zinc/73/07/03/556730703.db2.gz QMPCFFAWGGZZJL-DSITVLBTSA-N 0 3 440.543 5.344 40 0 IKABHN O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccc(F)cc3)CC[C@H]21 ZINC000019347724 556743459 /nfs/dbraw/zinc/74/34/59/556743459.db2.gz USZWDBLMVSLOED-CQOQZXRMSA-N 0 3 438.543 5.157 40 0 IKABHN O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccc(F)c3)CC[C@H]21 ZINC000019347726 556743603 /nfs/dbraw/zinc/74/36/03/556743603.db2.gz GBGZDJCJJQDXQX-CQOQZXRMSA-N 0 3 438.543 5.157 40 0 IKABHN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1)c1cccs1 ZINC000019400604 556753158 /nfs/dbraw/zinc/75/31/58/556753158.db2.gz FWYNNGDBIOFPQV-BWKNWUBXSA-N 0 3 442.588 5.075 40 0 IKABHN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1)c1cccs1 ZINC000019400607 556753313 /nfs/dbraw/zinc/75/33/13/556753313.db2.gz FWYNNGDBIOFPQV-PXDATVDWSA-N 0 3 442.588 5.075 40 0 IKABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)c1 ZINC000002377886 556761146 /nfs/dbraw/zinc/76/11/46/556761146.db2.gz LDNOEDBPXLUFCK-SDHSZQHLSA-N 0 3 440.543 5.344 40 0 IKABHN COc1ccc(CN2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)c(C)c1C ZINC000019577312 556815399 /nfs/dbraw/zinc/81/53/99/556815399.db2.gz JAWIVDOGEWOOIF-RUZDIDTESA-N 0 3 449.620 5.152 40 0 IKABHN COc1ccc(CN2CCC([C@H](NC(=O)c3cccs3)c3ccccn3)CC2)c(C)c1C ZINC000019577314 556815453 /nfs/dbraw/zinc/81/54/53/556815453.db2.gz JAWIVDOGEWOOIF-VWLOTQADSA-N 0 3 449.620 5.152 40 0 IKABHN Cc1[nH]c2ccccc2c1[C@H](O)CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2 ZINC000019581659 556819688 /nfs/dbraw/zinc/81/96/88/556819688.db2.gz SNFHUXMLVXTTSW-LOSJGSFVSA-N 0 3 442.559 5.014 40 0 IKABHN Cc1ccc(Cl)cc1N1CCN(C[C@H]2C(=O)O[C@H]3C[C@@]4(C)CCC[C@@H](C)C4=C[C@@H]23)CC1 ZINC000063720233 556821555 /nfs/dbraw/zinc/82/15/55/556821555.db2.gz RSUMDFBTCAAZNY-WAEXSRKISA-N 0 3 443.031 5.085 40 0 IKABHN CCN(CC)C[C@@]1(Sc2ccc(C)cc2)COc2cc(C)c(Br)cc2C1=O ZINC000019596859 556830946 /nfs/dbraw/zinc/83/09/46/556830946.db2.gz JWYHPAKRJMAQAT-JOCHJYFZSA-N 0 3 448.426 5.514 40 0 IKABHN CC(=O)Nc1ccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)cc1 ZINC000019689989 556845268 /nfs/dbraw/zinc/84/52/68/556845268.db2.gz LXVHBTKIIWFVKE-HSZRJFAPSA-N 0 3 449.986 5.159 40 0 IKABHN COc1cccc(Cc2ccc([C@H]3CCCN(Cc4c(C)nn(C(C)C)c4C)C3)nc2)c1 ZINC000019690230 556845729 /nfs/dbraw/zinc/84/57/29/556845729.db2.gz GEOHUZFSKXDHOM-DEOSSOPVSA-N 0 3 432.612 5.455 40 0 IKABHN Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccnc4ccccc34)n[nH]2)cc1F ZINC000019703712 556862262 /nfs/dbraw/zinc/86/22/62/556862262.db2.gz FMTDBZYWPPVGMA-RUZDIDTESA-N 0 3 434.490 5.195 40 0 IKABHN COc1c(C)cccc1CN1CCC[C@@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330457 556905727 /nfs/dbraw/zinc/90/57/27/556905727.db2.gz YPMYTOKLIJGYTK-GJZUVCINSA-N 0 3 435.612 5.048 40 0 IKABHN COc1c(C)cccc1CN1CCC[C@@H]([C@H](NC(=O)c2ccccc2C)c2ccccn2)C1 ZINC000072330496 556906286 /nfs/dbraw/zinc/90/62/86/556906286.db2.gz OMCGVHHFEZRBJQ-GJZUVCINSA-N 0 3 443.591 5.090 40 0 IKABHN Cc1cccc(CN2CCC[C@@H]([C@H](NC(=O)CCc3ccccc3)c3ccccn3)C2)c1 ZINC000072330551 556906597 /nfs/dbraw/zinc/90/65/97/556906597.db2.gz HIXPCWQFYIIFFW-NAKRPHOHSA-N 0 3 427.592 5.092 40 0 IKABHN Cc1ccsc1CN1CCC[C@@H]([C@H](NC(=O)CCc2ccccc2)c2ccccn2)C1 ZINC000072330553 556906665 /nfs/dbraw/zinc/90/66/65/556906665.db2.gz HKPWKVCNGBNTTD-GJZUVCINSA-N 0 3 433.621 5.154 40 0 IKABHN CCOC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2Cl)=N[C@H]1c1ccccc1 ZINC000408991834 556911759 /nfs/dbraw/zinc/91/17/59/556911759.db2.gz RELAPNOGRLKTPE-IBGZPJMESA-N 0 3 435.376 5.764 40 0 IKABHN CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)Nc2ccccc2CN2CCCC2)C1 ZINC000072352607 556924750 /nfs/dbraw/zinc/92/47/50/556924750.db2.gz WVUNHTCSCQSAQR-HXUWFJFHSA-N 0 3 447.604 5.085 40 0 IKABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371738 556940457 /nfs/dbraw/zinc/94/04/57/556940457.db2.gz YCTMOKFBBYSNIR-LJQANCHMSA-N 0 3 442.007 5.068 40 0 IKABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371738 556940461 /nfs/dbraw/zinc/94/04/61/556940461.db2.gz YCTMOKFBBYSNIR-LJQANCHMSA-N 0 3 442.007 5.068 40 0 IKABHN Cc1c(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)oc2ccccc12 ZINC000072394597 556965948 /nfs/dbraw/zinc/96/59/48/556965948.db2.gz RXBSDQBPZJQWII-OAQYLSRUSA-N 0 3 425.598 5.313 40 0 IKABHN CCCCC[C@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000101343533 557123523 /nfs/dbraw/zinc/12/35/23/557123523.db2.gz INXGAHHQCIHNOR-ZSEJKAPFSA-N 0 3 443.631 6.897 40 0 IKABHN CCOc1ccc(CN2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cc1CO ZINC000585176616 557136835 /nfs/dbraw/zinc/13/68/35/557136835.db2.gz VFIQRKOKWCNGDI-QHCPKHFHSA-N 0 3 434.555 5.082 40 0 IKABHN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)CC1 ZINC000008832659 557177751 /nfs/dbraw/zinc/17/77/51/557177751.db2.gz JCVGZMXSKJKVCP-UHFFFAOYSA-N 0 3 444.362 5.648 40 0 IKABHN COc1cc(F)ccc1-c1ccc2nc(C3CCN(Cc4sccc4C)CC3)nn2c1 ZINC000096267324 557192955 /nfs/dbraw/zinc/19/29/55/557192955.db2.gz RRKHNIFSLUINBW-UHFFFAOYSA-N 0 3 436.556 5.294 40 0 IKABHN Cc1nc([C@]2(O)CCCN(Cc3ccccc3)CC2)sc1CCOc1ccc(F)cc1 ZINC000585260850 557193836 /nfs/dbraw/zinc/19/38/36/557193836.db2.gz XCGGNQGBECOWIH-VWLOTQADSA-N 0 3 440.584 5.086 40 0 IKABHN Cc1cnc(Nc2cccc([C@H]3CCCN(Cc4c(C)nc5cc(C)ccn54)C3)n2)s1 ZINC000585262677 557203117 /nfs/dbraw/zinc/20/31/17/557203117.db2.gz SCPWBNVNAZZQKU-IBGZPJMESA-N 0 3 432.597 5.234 40 0 IKABHN CC(C)c1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000219960444 557272409 /nfs/dbraw/zinc/27/24/09/557272409.db2.gz KSGUQLNSZQVYOF-UHFFFAOYSA-N 0 3 426.604 6.517 40 0 IKABHN Cc1cccc(CCCNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000219962551 557272599 /nfs/dbraw/zinc/27/25/99/557272599.db2.gz CNEGHDUYADCYCL-UHFFFAOYSA-N 0 3 440.631 5.812 40 0 IKABHN CC(C)Oc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000219961137 557272686 /nfs/dbraw/zinc/27/26/86/557272686.db2.gz GQARCRJAUIWHQM-UHFFFAOYSA-N 0 3 442.603 6.181 40 0 IKABHN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1C ZINC000219963036 557272700 /nfs/dbraw/zinc/27/27/00/557272700.db2.gz OZRDIUJSOBGOAH-XMMPIXPASA-N 0 3 440.631 6.249 40 0 IKABHN C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000022913654 557273058 /nfs/dbraw/zinc/27/30/58/557273058.db2.gz MPNRDKGQWSVHOO-OAQYLSRUSA-N 0 3 426.604 6.033 40 0 IKABHN Cc1ccc(CNCc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000013564741 557341004 /nfs/dbraw/zinc/34/10/04/557341004.db2.gz DOTQQBMEVXTZIC-UHFFFAOYSA-N 0 3 438.506 5.118 40 0 IKABHN Cc1cccc(-c2cc3nc4c(c(NC5CCN(Cc6ccccc6)CC5)n3n2)CCC4)c1 ZINC000013562653 557353115 /nfs/dbraw/zinc/35/31/15/557353115.db2.gz YTARQNKXYHWWOB-UHFFFAOYSA-N 0 3 437.591 5.270 40 0 IKABHN COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000113958850 557381633 /nfs/dbraw/zinc/38/16/33/557381633.db2.gz MEWSBGJRCCCMBF-QFIPXVFZSA-N 0 3 442.603 5.641 40 0 IKABHN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958802 557381662 /nfs/dbraw/zinc/38/16/62/557381662.db2.gz IQEFWZFCLBGLQZ-GDLZYMKVSA-N 0 3 438.615 5.949 40 0 IKABHN COc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccc(NC(C)=O)cc4)C3)n2)c1 ZINC000072349945 557385090 /nfs/dbraw/zinc/38/50/90/557385090.db2.gz FHUZNYPWEJFYRB-QHCPKHFHSA-N 0 3 429.564 5.019 40 0 IKABHN COc1ccccc1Cc1cccc(C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)n1 ZINC000072349947 557385116 /nfs/dbraw/zinc/38/51/16/557385116.db2.gz XYVXOLAKVHIMKN-UHFFFAOYSA-N 0 3 429.564 5.019 40 0 IKABHN O=C(NCc1ccc2ccccc2c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000222804095 557388369 /nfs/dbraw/zinc/38/83/69/557388369.db2.gz XJYIYXPWUXRISM-UHFFFAOYSA-N 0 3 448.610 6.225 40 0 IKABHN COc1ccc(CCN(Cc2ccncc2)Cc2ccccc2C(F)(F)F)cc1OC ZINC000013989492 557400250 /nfs/dbraw/zinc/40/02/50/557400250.db2.gz MAGTUACVUBFCKB-UHFFFAOYSA-N 0 3 430.470 5.363 40 0 IKABHN COc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C(C)C ZINC000223350414 557461375 /nfs/dbraw/zinc/46/13/75/557461375.db2.gz FSOPVIHUKFSXCC-IBGZPJMESA-N 0 3 426.576 5.356 40 0 IKABHN COc1c(Br)cc(Br)cc1CNCCc1c[nH]c2ccccc12 ZINC000016194485 557470517 /nfs/dbraw/zinc/47/05/17/557470517.db2.gz ZIQPBFWWAFIANP-UHFFFAOYSA-N 0 3 438.163 5.034 40 0 IKABHN CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223668137 557499731 /nfs/dbraw/zinc/49/97/31/557499731.db2.gz BBMOWXLIMKIMGJ-UHFFFAOYSA-N 0 3 442.603 5.351 40 0 IKABHN CC(C)(C)c1ccccc1OCCNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000223730009 557506700 /nfs/dbraw/zinc/50/67/00/557506700.db2.gz TZGJOIABHSBGSF-FQEVSTJZSA-N 0 3 429.004 5.045 40 0 IKABHN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 ZINC000224359887 557597831 /nfs/dbraw/zinc/59/78/31/557597831.db2.gz AGCWCNFGRILBDD-LOSJGSFVSA-N 0 3 439.588 5.568 40 0 IKABHN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1c1ccc(Cl)cc1 ZINC000224456983 557608439 /nfs/dbraw/zinc/60/84/39/557608439.db2.gz CTVKSMXDDASFJZ-FGZHOGPDSA-N 0 3 431.952 5.098 40 0 IKABHN CCc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000224570607 557625283 /nfs/dbraw/zinc/62/52/83/557625283.db2.gz DKWMKPHRRXQCPW-QHCPKHFHSA-N 0 3 440.631 6.195 40 0 IKABHN Cc1cc(NCCNC(=S)Nc2c(C)cc(Br)cc2C)c2ccccc2n1 ZINC000225223588 557701978 /nfs/dbraw/zinc/70/19/78/557701978.db2.gz VMUMIBBRVHUVKW-UHFFFAOYSA-N 0 3 443.414 5.321 40 0 IKABHN CC(C)CSc1nnc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)s1 ZINC000225359372 557713879 /nfs/dbraw/zinc/71/38/79/557713879.db2.gz XQCSUQWPXNEIMZ-UHFFFAOYSA-N 0 3 438.622 5.097 40 0 IKABHN CC1CCN(CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCCC3)cc2)CC1 ZINC000225545003 557739669 /nfs/dbraw/zinc/73/96/69/557739669.db2.gz FTBYCBKOGKFSQU-UHFFFAOYSA-N 0 3 438.587 5.777 40 0 IKABHN FC(F)(F)c1cc(NC(=S)NCCCN2CCc3ccccc3C2)ccc1Cl ZINC000225742953 557771706 /nfs/dbraw/zinc/77/17/06/557771706.db2.gz AJJPLSVARKDTGI-UHFFFAOYSA-N 0 3 427.923 5.094 40 0 IKABHN C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000225903918 557790036 /nfs/dbraw/zinc/79/00/36/557790036.db2.gz XQWZMEHORIKUKF-DOTOQJQBSA-N 0 3 447.804 5.292 40 0 IKABHN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000059108653 557820197 /nfs/dbraw/zinc/82/01/97/557820197.db2.gz XEEPLXOXLVXDLZ-LICLKQGHSA-N 0 3 439.603 5.784 40 0 IKABHN CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000059108646 557820259 /nfs/dbraw/zinc/82/02/59/557820259.db2.gz ICULQNGAADHXFB-UHFFFAOYSA-N 0 3 429.564 5.048 40 0 IKABHN COc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)c(/C=C/c4ccc(Cl)cc4)ccc23)cc1 ZINC000004237343 560197776 /nfs/dbraw/zinc/19/77/76/560197776.db2.gz FRQDQLLIVUGFFV-SWMXQXAPSA-N 0 3 446.978 5.300 40 0 biogenic,in-vitro IKABHN O=C(COc1cccc(Cl)c1)N1CCC[C@]2(CCCN2Cc2cc(F)ccc2F)CC1 ZINC000585100322 568872796 /nfs/dbraw/zinc/87/27/96/568872796.db2.gz CHRJFGUBEFMANW-DEOSSOPVSA-N 0 3 448.941 5.044 40 0 IKABHN CC(C)NC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2cccnc2)CC1 ZINC000585166471 568872864 /nfs/dbraw/zinc/87/28/64/568872864.db2.gz SBQWOJYKUZYIFR-UHFFFAOYSA-N 0 3 427.592 5.098 40 0 IKABHN CC(C)[C@@H]1C[C@H](c2cccc(Cl)c2)CO[C@H]1c1ccc(OCCN2CCCC2)cc1 ZINC000585292967 568874663 /nfs/dbraw/zinc/87/46/63/568874663.db2.gz UWCNLGHLCOTARV-HRNNMHKYSA-N 0 3 428.016 6.332 40 0 IKABHN Cc1cccc(CN2CCC(C(=O)NCCSCc3c(F)cccc3Cl)CC2)c1 ZINC000009063030 569219813 /nfs/dbraw/zinc/21/98/13/569219813.db2.gz FELXNAOVPRJEFJ-UHFFFAOYSA-N 0 3 435.008 5.049 40 0 IKABHN COc1c(C)cccc1CN1CCC[C@@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000019235946 569226131 /nfs/dbraw/zinc/22/61/31/569226131.db2.gz YPMYTOKLIJGYTK-ATIYNZHBSA-N 0 3 435.612 5.048 40 0 IKABHN CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccc(OC3CCCC3)cc2)C1 ZINC000019702532 569232039 /nfs/dbraw/zinc/23/20/39/569232039.db2.gz HGIYYGSAMWNDFF-LJQANCHMSA-N 0 3 449.620 5.309 40 0 IKABHN Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN(Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855177 569249238 /nfs/dbraw/zinc/24/92/38/569249238.db2.gz QBBDWPFHEWIHBM-SIKLNZKXSA-N 0 3 426.988 5.279 40 0 IKABHN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044855327 569249331 /nfs/dbraw/zinc/24/93/31/569249331.db2.gz OAAGBHZUELTVFN-UGKGYDQZSA-N 0 3 426.988 5.279 40 0 IKABHN COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1cccs1)N2Cc1ccccc1 ZINC000245227913 569269467 /nfs/dbraw/zinc/26/94/67/569269467.db2.gz YMAUOWKZFNZVSE-NCAYHCJHSA-N 0 3 433.573 5.503 40 0 IKABHN CCOc1cc2c(cc1CN1CCC(c3ccc(Cc4ccccc4)cn3)CC1)O[C@@H](C)C2 ZINC000257204428 569275683 /nfs/dbraw/zinc/27/56/83/569275683.db2.gz AUOXKCRFFCEVGB-NRFANRHFSA-N 0 3 442.603 5.774 40 0 IKABHN Cc1nc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4[nH]nc5ccc(C)cc54)C3)c2)sc1C ZINC000257209754 569275896 /nfs/dbraw/zinc/27/58/96/569275896.db2.gz BRSWJWHSCHTBDB-QGZVFWFLSA-N 0 3 446.580 5.021 40 0 IKABHN CCn1cc(CN2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 ZINC000257222477 569276329 /nfs/dbraw/zinc/27/63/29/569276329.db2.gz DTLOZEYPHZNBIU-OAQYLSRUSA-N 0 3 428.502 5.287 40 0 IKABHN CCn1cc(CN2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)c(C)n1 ZINC000257233763 569276646 /nfs/dbraw/zinc/27/66/46/569276646.db2.gz GQQAVBRGANLFRF-UHFFFAOYSA-N 0 3 442.529 5.596 40 0 IKABHN Cc1ccccc1-c1ccc(CN2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000257239100 569276756 /nfs/dbraw/zinc/27/67/56/569276756.db2.gz HNYQILNPUXDJEL-RBJSKKJNSA-N 0 3 446.541 5.579 40 0 IKABHN Fc1ccc(O[C@@H]2COC3(C2)CCN(Cc2ccccc2OCc2cccnc2)CC3)cc1 ZINC000257252663 569277140 /nfs/dbraw/zinc/27/71/40/569277140.db2.gz JVQGKXNOMYKKGM-VWLOTQADSA-N 0 3 448.538 5.002 40 0 IKABHN COc1cc2c(cc1CN1CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC1)CCC2 ZINC000257252660 569277164 /nfs/dbraw/zinc/27/71/64/569277164.db2.gz JVPVABOOFGZEIX-UHFFFAOYSA-N 0 3 447.022 6.203 40 0 IKABHN Fc1ccc(O[C@H]2COC3(C2)CCN(Cc2ccccc2OCc2cccnc2)CC3)cc1 ZINC000257252662 569277202 /nfs/dbraw/zinc/27/72/02/569277202.db2.gz JVQGKXNOMYKKGM-RUZDIDTESA-N 0 3 448.538 5.002 40 0 IKABHN Cc1ccc(C[C@H]2CC[C@@H]3CN(CC(=O)N(c4ccccc4)c4ccccc4)C[C@H]23)nc1 ZINC000257273201 569277718 /nfs/dbraw/zinc/27/77/18/569277718.db2.gz NFQOYWBYIGALFD-AZSVPQILSA-N 0 3 425.576 5.255 40 0 IKABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4ccc5ncccc5c4)C3)c2)cc1 ZINC000257270640 569277735 /nfs/dbraw/zinc/27/77/35/569277735.db2.gz MVBCBNDQSMJMHP-OAQYLSRUSA-N 0 3 438.531 5.320 40 0 IKABHN Cc1nc2cc(C(=O)N3CC[C@@H](c4cc(Nc5cccc(F)c5)cc(C)n4)C3)ccc2n1C ZINC000257291570 569278200 /nfs/dbraw/zinc/27/82/00/569278200.db2.gz QHOOHVGDGVJMNN-LJQANCHMSA-N 0 3 443.526 5.098 40 0 IKABHN Cc1csc(Nc2cncc(C3CCN(Cc4ccc5c(c4)CC(C)(C)O5)CC3)n2)n1 ZINC000257297896 569278335 /nfs/dbraw/zinc/27/83/35/569278335.db2.gz RJGSHEBUXUYFGF-UHFFFAOYSA-N 0 3 435.597 5.078 40 0 IKABHN COc1ccc(CC(=O)N2CC[C@@H](c3cc(Nc4ccc(C)cc4)cc(C)n3)C2)cc1OC ZINC000257295993 569278353 /nfs/dbraw/zinc/27/83/53/569278353.db2.gz RATRQUWGMUXJJJ-OAQYLSRUSA-N 0 3 445.563 5.018 40 0 IKABHN COc1cccc2c1OC1(CCN(Cc3ccnc4ccccc34)CC1)[C@H]1CCCO[C@H]21 ZINC000257295783 569278367 /nfs/dbraw/zinc/27/83/67/569278367.db2.gz QZVTXJDQTUGTDB-WIOPSUGQSA-N 0 3 430.548 5.138 40 0 IKABHN O=C1CCCC[C@]2(CN(Cc3ccc(-c4ccccc4)cc3)C[C@H]2c2cc(F)cc(F)c2)N1 ZINC000257302600 569278473 /nfs/dbraw/zinc/27/84/73/569278473.db2.gz SDNHKICSOYRTDN-XTEPFMGCSA-N 0 3 446.541 5.660 40 0 IKABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@@H](c2c3ccccc3sc2C(=O)NC(C)C)C1 ZINC000257302162 569278510 /nfs/dbraw/zinc/27/85/10/569278510.db2.gz SBTJZDXBGIJWTH-LJQANCHMSA-N 0 3 438.641 5.423 40 0 IKABHN O=C(c1ccccc1CN1CCCCC1)N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 ZINC000257300324 569278556 /nfs/dbraw/zinc/27/85/56/569278556.db2.gz RTVIQVRDUKRGCL-RUZDIDTESA-N 0 3 426.564 5.107 40 0 IKABHN COc1cccc(CN2CC[C@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)c1OC ZINC000257304479 569278623 /nfs/dbraw/zinc/27/86/23/569278623.db2.gz SLWPIWRKDYQKLR-KRWDZBQOSA-N 0 3 438.593 5.046 40 0 IKABHN CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3cccc(Cl)c3)N[C@H]2c2cccc(F)c2)n1 ZINC000257307109 569278670 /nfs/dbraw/zinc/27/86/70/569278670.db2.gz SXGWCQJXZLSRJZ-HJNYFJLDSA-N 0 3 440.950 5.256 40 0 IKABHN O=C1CCC[C@]2(CN(Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]2c2ccccc2F)N1 ZINC000257309839 569278889 /nfs/dbraw/zinc/27/88/89/569278889.db2.gz UCPCWIMPAOLJIK-LBNVMWSVSA-N 0 3 426.535 5.035 40 0 IKABHN CCOc1ccc(CN2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)cc1CO ZINC000257308091 569278891 /nfs/dbraw/zinc/27/88/91/569278891.db2.gz TVIZWZQOYWBGCR-UHFFFAOYSA-N 0 3 434.555 5.082 40 0 IKABHN CC1(C)Cc2cc(CN3CCC[C@@H](c4ccc(Cc5cccc(F)c5)cn4)C3)ccc2O1 ZINC000257318818 569279140 /nfs/dbraw/zinc/27/91/40/569279140.db2.gz VPNBAEKUHTZFPY-HSZRJFAPSA-N 0 3 430.567 5.905 40 0 IKABHN Cc1ccccc1CN1CCC[C@@H](c2nc(C)c(CC(=O)Nc3ccccc3F)c(C)n2)C1 ZINC000257323947 569279213 /nfs/dbraw/zinc/27/92/13/569279213.db2.gz WMNVHPLBAPYRQN-JOCHJYFZSA-N 0 3 446.570 5.102 40 0 IKABHN COc1cc2c(cc1CN1CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C1)CCC2 ZINC000257324346 569279253 /nfs/dbraw/zinc/27/92/53/569279253.db2.gz WOFYRNRKKXIDJO-DEOSSOPVSA-N 0 3 430.567 5.688 40 0 IKABHN CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cn(C)c3cc(F)ccc23)C1 ZINC000257323710 569279263 /nfs/dbraw/zinc/27/92/63/569279263.db2.gz WLOJFWFQQAKDNT-INIZCTEOSA-N 0 3 435.568 5.223 40 0 IKABHN CCn1cc(CN2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c(C)n1 ZINC000257324004 569279315 /nfs/dbraw/zinc/27/93/15/569279315.db2.gz WMTSZFUIGKJVSD-OAQYLSRUSA-N 0 3 442.529 5.596 40 0 IKABHN CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)cc1 ZINC000257327464 569279449 /nfs/dbraw/zinc/27/94/49/569279449.db2.gz XBLLARWDERKNQG-HXUWFJFHSA-N 0 3 446.526 5.251 40 0 IKABHN CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC000257332744 569279530 /nfs/dbraw/zinc/27/95/30/569279530.db2.gz XYMLOJHRWYZXQU-FQEVSTJZSA-N 0 3 429.589 5.577 40 0 IKABHN COc1cc2c(cc1CN1CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C1)CCC2 ZINC000257332305 569279581 /nfs/dbraw/zinc/27/95/81/569279581.db2.gz XWRUPDSOYWJZHA-XMMPIXPASA-N 0 3 447.022 6.203 40 0 IKABHN Cc1[nH]c2ccc(F)cc2c1CN1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257344541 569279967 /nfs/dbraw/zinc/27/99/67/569279967.db2.gz ZXSOYQJKBVJANC-NRFANRHFSA-N 0 3 431.530 6.120 40 0 IKABHN COc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C(C)C ZINC000260945429 569282060 /nfs/dbraw/zinc/28/20/60/569282060.db2.gz VAHQGKNMOUPOEW-FPOVZHCZSA-N 0 3 426.576 5.356 40 0 IKABHN COc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C(C)C ZINC000260945428 569282091 /nfs/dbraw/zinc/28/20/91/569282091.db2.gz VAHQGKNMOUPOEW-CTNGQTDRSA-N 0 3 426.576 5.356 40 0 IKABHN C1CCC[C@H]2CCCN3CC[C@@H](CCCCCC[C@H]4CCCN5CC[C@@H](CC1)O[C@H]45)O[C@H]23 ZINC000027643832 569286165 /nfs/dbraw/zinc/28/61/65/569286165.db2.gz PQYOPBRFUUEHRC-BQXGFVACSA-N 0 3 446.720 6.335 40 0 in-vitro IKABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000009462320 569296447 /nfs/dbraw/zinc/29/64/47/569296447.db2.gz LIEWMCGEEMYSGL-ZLNRFVROSA-N 0 3 432.907 5.008 40 0 IKABHN COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2Cc2ccc3ncccc3c2)c1 ZINC000019689519 569326459 /nfs/dbraw/zinc/32/64/59/569326459.db2.gz GNGMYYMCVGYKLI-VWLOTQADSA-N 0 3 439.563 5.104 40 0 IKABHN CC(C)c1ccc(NC(=O)OC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 ZINC000008635839 291397324 /nfs/dbraw/zinc/39/73/24/291397324.db2.gz RWSPTEVKEIYVGP-NNWRFLSQSA-N 0 3 448.567 5.230 40 0 biogenic,in-vitro IKABHN CCN(CC)CCNCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000022075493 520687767 /nfs/dbraw/zinc/68/77/67/520687767.db2.gz GZOUDUVEKLWLQP-UHFFFAOYSA-N 0 3 425.798 5.113 40 0 IKABHN CCOc1cc(CNCc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 ZINC000022076700 520721225 /nfs/dbraw/zinc/72/12/25/520721225.db2.gz FSUOCPKDTMRNSY-UHFFFAOYSA-N 0 3 440.381 6.025 40 0 IKABHN CCOc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022074189 520725645 /nfs/dbraw/zinc/72/56/45/520725645.db2.gz SRFXEIZCXBDFRC-KRWDZBQOSA-N 0 3 430.375 6.822 40 0 IKABHN CCOC(=O)c1cc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)ccc1Cl ZINC000022525684 521443521 /nfs/dbraw/zinc/44/35/21/521443521.db2.gz IRPVQYJMIJZJDF-UHFFFAOYSA-N 0 3 448.950 5.327 40 0 IKABHN COc1cc(CNCc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 ZINC000022076688 522464982 /nfs/dbraw/zinc/46/49/82/522464982.db2.gz RFKHNVIIUCZLON-UHFFFAOYSA-N 0 3 426.354 5.635 40 0 IKABHN COc1cc(CNCc2ccc(C)cc2)cc(Br)c1OCc1ccccc1F ZINC000022076719 522465057 /nfs/dbraw/zinc/46/50/57/522465057.db2.gz SMGZBTXRBKGJLV-UHFFFAOYSA-N 0 3 444.344 5.774 40 0 IKABHN COc1ccc(CNCc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000022076783 524072492 /nfs/dbraw/zinc/07/24/92/524072492.db2.gz FEZYIPQHBLOQBI-UHFFFAOYSA-N 0 3 432.347 5.879 40 0 IKABHN COc1ccc(CNCc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000022076733 524072539 /nfs/dbraw/zinc/07/25/39/524072539.db2.gz RDAXELXQWUASOV-UHFFFAOYSA-N 0 3 442.353 5.335 40 0 IKABHN COc1ccc(CNCc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 ZINC000022076789 524073002 /nfs/dbraw/zinc/07/30/02/524073002.db2.gz LSCXFTGQURGJGB-UHFFFAOYSA-N 0 3 432.347 5.879 40 0 IKABHN c1ccc(C(c2ccccc2)N2CCN(CCCC3(c4ccccc4)OCCO3)CC2)cc1 ZINC000022058279 526461126 /nfs/dbraw/zinc/46/11/26/526461126.db2.gz LRMJAFKKJLRDLE-UHFFFAOYSA-N 0 3 442.603 5.074 40 0 investigational IKABHN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000408575835 555926431 /nfs/dbraw/zinc/92/64/31/555926431.db2.gz NTCNUDUFYMUZNN-UHFFFAOYSA-N 0 3 441.575 5.026 40 0 IKABHN O=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039743129 556438145 /nfs/dbraw/zinc/43/81/45/556438145.db2.gz WUKVQWGEUNDIEY-UHFFFAOYSA-N 0 3 425.729 5.092 40 0 IKABHN Cc1ccc(CN2CCC(C(=O)NCc3ccc(OCc4ccc(F)cc4)cc3)CC2)cc1 ZINC000039750029 556438418 /nfs/dbraw/zinc/43/84/18/556438418.db2.gz SSBKBLQOLZXKNP-UHFFFAOYSA-N 0 3 446.566 5.242 40 0 IKABHN Cc1cc(CSc2ccccc2)ccc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000039753065 556438661 /nfs/dbraw/zinc/43/86/61/556438661.db2.gz ITARPBDWAZCUHE-UHFFFAOYSA-N 0 3 430.617 6.138 40 0 IKABHN CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccc(OCC(C)C)cc2)on1)c1ccc(C)cc1 ZINC000028296135 556451353 /nfs/dbraw/zinc/45/13/53/556451353.db2.gz FYIFMZVSLNJTAL-VWLOTQADSA-N 0 3 449.595 5.498 40 0 IKABHN CN1CCc2ccccc2[C@H]1Cc1ccccc1NC(=O)c1sc2ccccc2c1Cl ZINC000029590277 556478310 /nfs/dbraw/zinc/47/83/10/556478310.db2.gz ACKAQJBYLPLIOW-JOCHJYFZSA-N 0 3 447.003 6.579 40 0 in-vitro IKABHN CC1CCN(Cc2ccc(C(=O)NCc3ccc(OCc4ccc(F)cc4)cc3)cc2)CC1 ZINC000030867943 556512832 /nfs/dbraw/zinc/51/28/32/556512832.db2.gz IZGHCLAYVBEGSH-UHFFFAOYSA-N 0 3 446.566 5.567 40 0 IKABHN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030947094 556517260 /nfs/dbraw/zinc/51/72/60/556517260.db2.gz SNAPEWRCURDKFV-OBGYJAQLSA-N 0 3 446.610 6.144 40 0 IKABHN CC1=C(c2ccccc2)[C@H](c2ccccc2)C(/C=C\c2ccccc2)=NC=C1c1ccccc1 ZINC000031740083 556525754 /nfs/dbraw/zinc/52/57/54/556525754.db2.gz WNVFKEPKFBWOQI-GMSWVHROSA-N 0 3 437.586 8.453 40 0 IKABHN CC1=C(c2ccccc2)[C@@H](c2ccccc2)C(/C=C/c2ccccc2)=NC=C1c1ccccc1 ZINC000031740078 556525788 /nfs/dbraw/zinc/52/57/88/556525788.db2.gz WNVFKEPKFBWOQI-ZNJGXVOXSA-N 0 3 437.586 8.453 40 0 IKABHN COc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016195659 556590076 /nfs/dbraw/zinc/59/00/76/556590076.db2.gz HLIIPDJCLNHBJO-UHFFFAOYSA-N 0 3 442.795 6.586 40 0 IKABHN COc1cc(CNCc2cccs2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016195545 556590115 /nfs/dbraw/zinc/59/01/15/556590115.db2.gz DXVNZOFVJGLRMB-UHFFFAOYSA-N 0 3 436.346 5.527 40 0 IKABHN COc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016195807 556590168 /nfs/dbraw/zinc/59/01/68/556590168.db2.gz VGTHBOHCSMOTSO-OAQYLSRUSA-N 0 3 432.347 5.404 40 0 IKABHN COc1cc(CNCc2cccs2)cc(Br)c1OCc1ccccc1F ZINC000016195878 556590403 /nfs/dbraw/zinc/59/04/03/556590403.db2.gz VHXCUEKEOSCIDR-UHFFFAOYSA-N 0 3 436.346 5.527 40 0 IKABHN COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000016196305 556590606 /nfs/dbraw/zinc/59/06/06/556590606.db2.gz BWNNKPIZXIHJEG-NRFANRHFSA-N 0 3 432.347 5.404 40 0 IKABHN COc1ccc(CCNCc2cc(Cl)ccc2OCc2ccccc2F)cc1OC ZINC000016227424 556593089 /nfs/dbraw/zinc/59/30/89/556593089.db2.gz DKRLPBOUOULXPC-UHFFFAOYSA-N 0 3 429.919 5.408 40 0 IKABHN COc1cccc(CNC[C@H](O)c2ccccc2)c1OCc1ccc(Cl)cc1Cl ZINC000016228238 556593492 /nfs/dbraw/zinc/59/34/92/556593492.db2.gz DDSJKSACDUPIRZ-NRFANRHFSA-N 0 3 432.347 5.404 40 0 IKABHN Cc1ccc(S[C@]2(CN3CCCCC3)COc3ccc(Br)cc3C2=O)cc1 ZINC000016310908 556599677 /nfs/dbraw/zinc/59/96/77/556599677.db2.gz VHAFIUUCEBAGQT-JOCHJYFZSA-N 0 3 446.410 5.350 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000100901245 556599847 /nfs/dbraw/zinc/59/98/47/556599847.db2.gz IBKYNEFOMSOAHD-NJYVYQBISA-N 0 3 439.298 5.045 40 0 IKABHN Clc1ccc(COc2ccc(Br)cc2CNC[C@H]2CCCO2)c(Cl)c1 ZINC000016384991 556604256 /nfs/dbraw/zinc/60/42/56/556604256.db2.gz LWFLRASSQRNJQX-QGZVFWFLSA-N 0 3 445.184 5.604 40 0 IKABHN Fc1ccc(COc2ccc(Br)cc2CNCCc2ccccc2F)cc1 ZINC000016449523 556608949 /nfs/dbraw/zinc/60/89/49/556608949.db2.gz HXLQCFKKGUAOJW-UHFFFAOYSA-N 0 3 432.308 5.639 40 0 IKABHN Clc1ccc(COc2ccc(Br)cc2CNCCc2ccccc2)cc1 ZINC000016479317 556611250 /nfs/dbraw/zinc/61/12/50/556611250.db2.gz CGDDOGMMDNFKHQ-UHFFFAOYSA-N 0 3 430.773 6.014 40 0 IKABHN O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833084 556622027 /nfs/dbraw/zinc/62/20/27/556622027.db2.gz NZYWGAJSJHMIQY-RUZDIDTESA-N 0 3 432.995 5.781 40 0 IKABHN O=C(NCCSCc1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038837553 556623753 /nfs/dbraw/zinc/62/37/53/556623753.db2.gz NKRRUGZOWKZYTQ-LJQANCHMSA-N 0 3 437.436 5.255 40 0 IKABHN CCOc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccccc1F ZINC000016688751 556626942 /nfs/dbraw/zinc/62/69/42/556626942.db2.gz JUSNLRXEVHKMAT-UHFFFAOYSA-N 0 3 431.910 5.928 40 0 IKABHN C[C@H]([C@@H](O)c1ccccc1)N1CCC(N(C(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000016697371 556628842 /nfs/dbraw/zinc/62/88/42/556628842.db2.gz LFQIYONICSBQHG-AJTFRIOCSA-N 0 3 444.575 5.416 40 0 IKABHN CCc1ccccc1NC(=O)CC1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n21 ZINC000039964000 556631003 /nfs/dbraw/zinc/63/10/03/556631003.db2.gz YLHSKGQWJLPHHJ-XMMPIXPASA-N 0 3 438.531 5.024 40 0 IKABHN CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856873 556672685 /nfs/dbraw/zinc/67/26/85/556672685.db2.gz QWCIEWWEGQXBRL-VWLOTQADSA-N 0 3 444.575 5.143 40 0 IKABHN CC(C)Oc1cccc(CCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044916038 556681234 /nfs/dbraw/zinc/68/12/34/556681234.db2.gz UCIRIDQWKSQHAG-QFIPXVFZSA-N 0 3 429.004 5.088 40 0 IKABHN CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 ZINC000019081971 556696647 /nfs/dbraw/zinc/69/66/47/556696647.db2.gz QSUNDQZKZQFYRI-BKMJKUGQSA-N 0 3 449.639 5.519 40 0 IKABHN CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 ZINC000019081969 556696829 /nfs/dbraw/zinc/69/68/29/556696829.db2.gz QSUNDQZKZQFYRI-NVQXNPDNSA-N 0 3 449.639 5.519 40 0 IKABHN CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000019082051 556697085 /nfs/dbraw/zinc/69/70/85/556697085.db2.gz LNOTYRPWWXFJKM-SANMLTNESA-N 0 3 449.639 5.519 40 0 IKABHN Cc1ccc2c(c1)[nH]cc2[C@H](O)CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2 ZINC000019219724 556714017 /nfs/dbraw/zinc/71/40/17/556714017.db2.gz ZWROJRGVUNUVNA-CLJLJLNGSA-N 0 3 442.559 5.014 40 0 IKABHN Cc1ccc2c(c1)[nH]cc2[C@@H](O)CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2 ZINC000019219720 556714061 /nfs/dbraw/zinc/71/40/61/556714061.db2.gz ZWROJRGVUNUVNA-FTJBHMTQSA-N 0 3 442.559 5.014 40 0 IKABHN COc1c(C)cccc1CN1CCC([C@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 ZINC000019235929 556720458 /nfs/dbraw/zinc/72/04/58/556720458.db2.gz YMIGXUQRSPBLFJ-SANMLTNESA-N 0 3 435.612 5.048 40 0 IKABHN Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000019294084 556733767 /nfs/dbraw/zinc/73/37/67/556733767.db2.gz XTZUSYHIEFYTNG-NRFANRHFSA-N 0 3 440.526 5.196 40 0 IKABHN C[C@H](CCN1CCN(CC[C@@H](C)CC(C)(C)C)C1C[C@@H](C)CC(C)(C)C)CC(C)(C)C ZINC000019319873 556736215 /nfs/dbraw/zinc/73/62/15/556736215.db2.gz ZBJYUIRAFQUXKQ-UBFVSLLYSA-N 0 3 436.813 8.317 40 0 IKABHN Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)C2ON1c1ccccc1 ZINC000013807049 556743062 /nfs/dbraw/zinc/74/30/62/556743062.db2.gz IRKTWDNRKMSRGK-ZNZIZOMTSA-N 0 3 434.495 5.199 40 0 IKABHN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(-c3ccccn3)cc2)C1)C1CCC1 ZINC000019402657 556754115 /nfs/dbraw/zinc/75/41/15/556754115.db2.gz NVEUZSABFSVOCN-SQHAQQRYSA-N 0 3 440.591 5.013 40 0 IKABHN CC(C)Oc1ccc(CN2CCC([C@H](NC(=O)c3cccs3)c3ccccn3)CC2)cc1 ZINC000019450604 556761455 /nfs/dbraw/zinc/76/14/55/556761455.db2.gz SZNDIVOHKMRXMW-VWLOTQADSA-N 0 3 449.620 5.314 40 0 IKABHN CC(C)Oc1cccc(CN2CCC([C@H](NC(=O)c3cccs3)c3ccccn3)CC2)c1 ZINC000019450840 556761534 /nfs/dbraw/zinc/76/15/34/556761534.db2.gz QEBJBSLJEHZYCP-VWLOTQADSA-N 0 3 449.620 5.314 40 0 IKABHN CCOc1cc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)ccc1OC ZINC000019531936 556792382 /nfs/dbraw/zinc/79/23/82/556792382.db2.gz FCYVUYCHUCSCRH-UHFFFAOYSA-N 0 3 431.483 5.256 40 0 IKABHN Clc1ccc(-c2nsc3c2ncnc3N2CCN(C3CCCCCC3)CC2)cc1 ZINC000001370831 556792709 /nfs/dbraw/zinc/79/27/09/556792709.db2.gz MIZMNGBHPPCEPY-UHFFFAOYSA-N 0 3 428.005 5.252 40 0 IKABHN CCOc1ccc(CN2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)cc1OC ZINC000019533748 556793577 /nfs/dbraw/zinc/79/35/77/556793577.db2.gz PVNIKHVZLJKXAT-UHFFFAOYSA-N 0 3 449.473 5.337 40 0 IKABHN CCOc1ccc(CN2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1OC ZINC000019533792 556793705 /nfs/dbraw/zinc/79/37/05/556793705.db2.gz RAIZWOPXYPYBBN-INIZCTEOSA-N 0 3 431.483 5.256 40 0 IKABHN COc1cccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C2CCCCC2)c1 ZINC000019565405 556806174 /nfs/dbraw/zinc/80/61/74/556806174.db2.gz PBIPJQTXQSMFNR-UBFVSLLYSA-N 0 3 438.637 5.154 40 0 IKABHN COc1ccc(C2(NCc3ccc(OCc4c(C)noc4C)c(OC)c3)CCCC2)cc1 ZINC000019580927 556819368 /nfs/dbraw/zinc/81/93/68/556819368.db2.gz DZYRVCBOKMOGMH-UHFFFAOYSA-N 0 3 436.552 5.447 40 0 IKABHN COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1ccccc1)N2Cc1ccccc1 ZINC000004981598 556826509 /nfs/dbraw/zinc/82/65/09/556826509.db2.gz ABUKBCAATVFRLI-RDNBXWRASA-N 0 3 427.544 5.441 40 0 IKABHN CC(=O)Nc1ccc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)cc1 ZINC000019689987 556845234 /nfs/dbraw/zinc/84/52/34/556845234.db2.gz LXVHBTKIIWFVKE-QHCPKHFHSA-N 0 3 449.986 5.159 40 0 IKABHN O=C(Nc1ccccc1F)c1cnc(-c2ccccc2)nc1CCNCc1ccc(F)cc1 ZINC000019697206 556854227 /nfs/dbraw/zinc/85/42/27/556854227.db2.gz UHLBNDSQKKYEBS-UHFFFAOYSA-N 0 3 444.485 5.006 40 0 IKABHN Fc1ccc(OCCc2cc([C@@H]3CCCN3Cc3ccc4ncccc4c3)n[nH]2)cc1F ZINC000019703636 556862212 /nfs/dbraw/zinc/86/22/12/556862212.db2.gz RXDBYSLOHRYOAD-VWLOTQADSA-N 0 3 434.490 5.195 40 0 IKABHN Cc1nn(-c2ccccn2)c2nc([C@H]3CCCN3Cc3c(C)[nH]c4ccc(F)cc43)ccc12 ZINC000019742444 556886455 /nfs/dbraw/zinc/88/64/55/556886455.db2.gz YWEMIEDLZBCAGE-XMMPIXPASA-N 0 3 440.526 5.390 40 0 IKABHN C/C(=C\c1ccccc1)CN1CCC[C@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330448 556905849 /nfs/dbraw/zinc/90/58/49/556905849.db2.gz JOEJFBSVOQAJAR-ZEVQAIKDSA-N 0 3 431.624 5.635 40 0 IKABHN O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000072330555 556906737 /nfs/dbraw/zinc/90/67/37/556906737.db2.gz ISODBYSWWKPDCB-HOFKKMOUSA-N 0 3 448.010 5.437 40 0 IKABHN COc1ccc2c(c1)NC1(CCN(CCCC(=O)c3ccc(Cl)cc3)CC1)c1cccn1-2 ZINC000072341665 556914134 /nfs/dbraw/zinc/91/41/34/556914134.db2.gz XFYGODLDWPFJNZ-UHFFFAOYSA-N 0 3 449.982 5.519 40 0 IKABHN CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(CCCOc2ccc(F)cc2)C1 ZINC000072352493 556924601 /nfs/dbraw/zinc/92/46/01/556924601.db2.gz YEXSEJQXOFPYMZ-KRWDZBQOSA-N 0 3 426.557 5.001 40 0 IKABHN CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)Nc2cccc(CN3CCCC3)c2)C1 ZINC000072352643 556924825 /nfs/dbraw/zinc/92/48/25/556924825.db2.gz GAOFMGONUJYGJG-HXUWFJFHSA-N 0 3 447.604 5.085 40 0 IKABHN CCOc1ccc(CN2CCC[C@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)cc1CO ZINC000072372715 556943697 /nfs/dbraw/zinc/94/36/97/556943697.db2.gz XTDOADFSLXYUBT-QFIPXVFZSA-N 0 3 438.597 5.127 40 0 IKABHN COCc1ccc(OC)c(CN2CCC[C@@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)c1 ZINC000072372705 556943841 /nfs/dbraw/zinc/94/38/41/556943841.db2.gz CUHHQODFCCBGAR-XMMPIXPASA-N 0 3 447.583 5.033 40 0 IKABHN CC(=O)Nc1ccc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cc1 ZINC000072376622 556955012 /nfs/dbraw/zinc/95/50/12/556955012.db2.gz ZJZRLUMPFICWKE-QHCPKHFHSA-N 0 3 449.986 5.159 40 0 IKABHN CCc1ccc(NC(=O)CC2C(=O)N(CCC3=CCCCC3)c3nc4ccccc4n32)cc1 ZINC000019962049 556955631 /nfs/dbraw/zinc/95/56/31/556955631.db2.gz NJMCNTFAPZRQET-XMMPIXPASA-N 0 3 442.563 5.406 40 0 IKABHN COc1cc2c(cc1CN1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCCC2 ZINC000072398612 556970370 /nfs/dbraw/zinc/97/03/70/556970370.db2.gz NPLWUADKUOXYNA-GJZUVCINSA-N 0 3 449.639 5.085 40 0 IKABHN O=C(COc1cccc(Cl)c1)N1CCC[C@@]2(CCCN2Cc2cc(F)ccc2F)CC1 ZINC000585100328 557034038 /nfs/dbraw/zinc/03/40/38/557034038.db2.gz CHRJFGUBEFMANW-XMMPIXPASA-N 0 3 448.941 5.044 40 0 IKABHN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000408576465 557043048 /nfs/dbraw/zinc/04/30/48/557043048.db2.gz VJRNPJPDABJEKQ-UHFFFAOYSA-N 0 3 432.567 5.764 40 0 IKABHN CCCCC[C@@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000101343528 557123439 /nfs/dbraw/zinc/12/34/39/557123439.db2.gz INXGAHHQCIHNOR-RGTFROLJSA-N 0 3 443.631 6.897 40 0 IKABHN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(CN2CCCCC2)cc1 ZINC000006297061 557150669 /nfs/dbraw/zinc/15/06/69/557150669.db2.gz LGWBTWDQUJEHDZ-KPKJPENVSA-N 0 3 429.358 5.096 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000170591313 557216511 /nfs/dbraw/zinc/21/65/11/557216511.db2.gz JSOJSWOILFOYBD-ACRUOGEOSA-N 0 3 439.298 5.045 40 0 IKABHN C[C@@H]1C[C@@H](C)CN(Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 ZINC000057740275 557257578 /nfs/dbraw/zinc/25/75/78/557257578.db2.gz MWBRWQVMOTXTMX-RTBURBONSA-N 0 3 430.983 6.219 40 0 IKABHN CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1 ZINC000057774862 557264788 /nfs/dbraw/zinc/26/47/88/557264788.db2.gz PTWPLXVMNNTQFN-FYYLOGMGSA-N 0 3 428.020 5.773 40 0 IKABHN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000219961516 557272694 /nfs/dbraw/zinc/27/26/94/557272694.db2.gz HMXROPXPADWKGH-DEOSSOPVSA-N 0 3 440.631 5.892 40 0 IKABHN C[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000022913661 557273066 /nfs/dbraw/zinc/27/30/66/557273066.db2.gz MPNRDKGQWSVHOO-NRFANRHFSA-N 0 3 426.604 6.033 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102717186 557306237 /nfs/dbraw/zinc/30/62/37/557306237.db2.gz QNLQEZCOMBQHPE-QRVBRYPASA-N 0 3 445.327 5.106 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102736179 557306728 /nfs/dbraw/zinc/30/67/28/557306728.db2.gz SALBNUSWSPILRS-HKBOAZHASA-N 0 3 439.298 5.045 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102736176 557306840 /nfs/dbraw/zinc/30/68/40/557306840.db2.gz SALBNUSWSPILRS-ACRUOGEOSA-N 0 3 439.298 5.045 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000102752128 557307531 /nfs/dbraw/zinc/30/75/31/557307531.db2.gz GCVWRKJCELMRCW-NEWSRXKRSA-N 0 3 445.327 5.106 40 0 IKABHN C[C@@H](CCN1CCN(CC[C@@H](C)CC(C)(C)C)C1C[C@@H](C)CC(C)(C)C)CC(C)(C)C ZINC000104043226 557319483 /nfs/dbraw/zinc/31/94/83/557319483.db2.gz ZBJYUIRAFQUXKQ-SIDNZMCZSA-N 0 3 436.813 8.317 40 0 IKABHN Cc1ccc(CNCc2cc3c(-c4ccc(C)cc4)nn(-c4ccccc4)c3[nH]c2=O)cc1 ZINC000013564701 557340968 /nfs/dbraw/zinc/34/09/68/557340968.db2.gz AFIFCDPMEOWRGI-UHFFFAOYSA-N 0 3 434.543 5.287 40 0 IKABHN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072215828 557342723 /nfs/dbraw/zinc/34/27/23/557342723.db2.gz CWJXYEYEQVDLGL-VWLOTQADSA-N 0 3 443.591 6.882 40 0 IKABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(C(C)(C)C)cc3)[C@@H]2C1=O ZINC000101128603 557346683 /nfs/dbraw/zinc/34/66/83/557346683.db2.gz LNTRJTHXPKASLK-SDHOMARFSA-N 0 3 440.543 5.344 40 0 IKABHN Cc1ccc(-c2cc3nc4c(c(NC5CCN(Cc6ccccc6)CC5)n3n2)CCC4)cc1 ZINC000013562636 557353068 /nfs/dbraw/zinc/35/30/68/557353068.db2.gz ZCXQXBDMVIMGNV-UHFFFAOYSA-N 0 3 437.591 5.270 40 0 IKABHN COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1cccs1)N2Cc1ccccc1 ZINC000013563495 557353724 /nfs/dbraw/zinc/35/37/24/557353724.db2.gz YMAUOWKZFNZVSE-XBZNOJLSSA-N 0 3 433.573 5.503 40 0 IKABHN CCOc1cccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000113958593 557381783 /nfs/dbraw/zinc/38/17/83/557381783.db2.gz DYELLOMSEMXGFD-UHFFFAOYSA-N 0 3 428.576 5.792 40 0 IKABHN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)c1 ZINC000113958919 557381979 /nfs/dbraw/zinc/38/19/79/557381979.db2.gz JSOMSHHSRPNRLN-DEOSSOPVSA-N 0 3 440.631 6.249 40 0 IKABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc2ccccc2c1 ZINC000013998227 557402580 /nfs/dbraw/zinc/40/25/80/557402580.db2.gz MHTQWLGQZQJDEI-SXOMAYOGSA-N 0 3 439.555 5.377 40 0 IKABHN CC(C)COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000014273641 557433267 /nfs/dbraw/zinc/43/32/67/557433267.db2.gz DGGYLIWMXGIYDG-UHFFFAOYSA-N 0 3 443.591 5.296 40 0 IKABHN COc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C(C)C ZINC000223350370 557461357 /nfs/dbraw/zinc/46/13/57/557461357.db2.gz FSOPVIHUKFSXCC-LJQANCHMSA-N 0 3 426.576 5.356 40 0 IKABHN COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C(C)C ZINC000223367787 557463542 /nfs/dbraw/zinc/46/35/42/557463542.db2.gz VAHQGKNMOUPOEW-TZIWHRDSSA-N 0 3 426.576 5.356 40 0 IKABHN COc1cc(CNC2CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016195583 557470908 /nfs/dbraw/zinc/47/09/08/557470908.db2.gz FFXPIWZELNFWDR-UHFFFAOYSA-N 0 3 431.157 5.596 40 0 IKABHN CCOc1c(Br)cc(Br)cc1CNCCc1ccc(F)cc1 ZINC000016688075 557475154 /nfs/dbraw/zinc/47/51/54/557475154.db2.gz HAGIYTUMPOMKAT-UHFFFAOYSA-N 0 3 431.143 5.082 40 0 IKABHN COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)[C@H](C)C(O)(Cc3ccccc3)[C@H]2C)cc1 ZINC000004144012 557531444 /nfs/dbraw/zinc/53/14/44/557531444.db2.gz BTUTYNXWDXRDAN-GQHLQYEBSA-N 0 3 431.576 5.335 40 0 IKABHN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)c1 ZINC000224292438 557586466 /nfs/dbraw/zinc/58/64/66/557586466.db2.gz GLVOZFZPKDPEDS-ZEQRLZLVSA-N 0 3 425.561 5.061 40 0 IKABHN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 ZINC000224359853 557597761 /nfs/dbraw/zinc/59/77/61/557597761.db2.gz AGCWCNFGRILBDD-RPBOFIJWSA-N 0 3 439.588 5.568 40 0 IKABHN CCC1(CC)C[C@@H](NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000224389235 557600528 /nfs/dbraw/zinc/60/05/28/557600528.db2.gz QSSYGAMKRJMJQA-NFBKMPQASA-N 0 3 441.015 5.751 40 0 IKABHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(CSc2ccccc2)cc1 ZINC000224806370 557653491 /nfs/dbraw/zinc/65/34/91/557653491.db2.gz RDUCVSGZIMZHGP-UHFFFAOYSA-N 0 3 430.617 5.895 40 0 IKABHN O=C(CSCc1c(Cl)cccc1Cl)NCc1ccccc1CN1CCCCC1 ZINC000224807637 557653524 /nfs/dbraw/zinc/65/35/24/557653524.db2.gz PEZVMVBUGDRSPW-UHFFFAOYSA-N 0 3 437.436 5.529 40 0 IKABHN O=C(NCc1ccccc1CN1CCCCC1)c1ccccc1SCc1ccccc1 ZINC000224826609 557655900 /nfs/dbraw/zinc/65/59/00/557655900.db2.gz OYHCGBIOAXIAIZ-UHFFFAOYSA-N 0 3 430.617 5.895 40 0 IKABHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000224831814 557656457 /nfs/dbraw/zinc/65/64/57/557656457.db2.gz GLABHJTVLFCVTJ-UHFFFAOYSA-N 0 3 448.994 5.835 40 0 IKABHN O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000225528853 557737062 /nfs/dbraw/zinc/73/70/62/557737062.db2.gz ZMAYTDAVXZOOQT-UHFFFAOYSA-N 0 3 447.406 5.919 40 0 IKABHN Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCC(C)CC4)cc3)CCCCC2)cc1 ZINC000225542313 557739224 /nfs/dbraw/zinc/73/92/24/557739224.db2.gz CSPLCZJVYRAQFD-UHFFFAOYSA-N 0 3 434.624 5.946 40 0 IKABHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccccc2Cl)CCCCC1 ZINC000225553587 557741278 /nfs/dbraw/zinc/74/12/78/557741278.db2.gz DUEHQRWVWWOPFC-UHFFFAOYSA-N 0 3 441.015 6.045 40 0 IKABHN CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225742055 557771646 /nfs/dbraw/zinc/77/16/46/557771646.db2.gz LBEZMBKQXFCGDM-UHFFFAOYSA-N 0 3 432.649 5.747 40 0 IKABHN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000059557301 557827661 /nfs/dbraw/zinc/82/76/61/557827661.db2.gz YHRNAXOVSFJJPE-UHFFFAOYSA-N 0 3 443.635 5.554 40 0 IKABHN COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNCc4ccco4)C=C3C)o2)cc1 ZINC000030883217 560089665 /nfs/dbraw/zinc/08/96/65/560089665.db2.gz JICNTMDAVDWGCT-HFMPRLQTSA-N 0 3 435.568 5.525 40 0 biogenic,in-vitro IKABHN O=c1ccc(-c2ccc(OC(F)(F)F)cc2)c2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 ZINC000004258720 560197847 /nfs/dbraw/zinc/19/78/47/560197847.db2.gz APHDCKYZBOWIJO-DOTOQJQBSA-N 0 3 446.494 5.095 40 0 biogenic,in-vitro IKABHN Oc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000013537287 562992470 /nfs/dbraw/zinc/99/24/70/562992470.db2.gz LAGYWHSFHIMTPE-UHFFFAOYSA-N 0 3 444.554 5.048 40 0 world IKABHN Cc1nc([C@@]2(O)CCCN(Cc3cccc(C)c3)CC2)sc1CCOc1ccccc1 ZINC000019738686 568752404 /nfs/dbraw/zinc/75/24/04/568752404.db2.gz MNWPCSXQDYHAME-AREMUKBSSA-N 0 3 436.621 5.255 40 0 IKABHN CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1ccc(OCCN2CCCC2)cc1 ZINC000585293276 568874769 /nfs/dbraw/zinc/87/47/69/568874769.db2.gz YZFFUWOAWAOOEH-HRNNMHKYSA-N 0 3 428.016 6.332 40 0 IKABHN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccc(F)c2)N2CCC(C)CC2)c1C ZINC000002546535 569097447 /nfs/dbraw/zinc/09/74/47/569097447.db2.gz WRJCAZWZHRAVKZ-XMMPIXPASA-N 0 3 436.596 6.578 40 0 IKABHN O[C@H](CN1CCCCC1)CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000005394919 569218457 /nfs/dbraw/zinc/21/84/57/569218457.db2.gz WEOJIUMBVVUGJJ-YIXXDRMTSA-N 0 3 435.656 5.229 40 0 IKABHN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(CN2CCCCC2)cc1 ZINC000010324157 569222938 /nfs/dbraw/zinc/22/29/38/569222938.db2.gz XWTJLPUWUHWKEP-UHFFFAOYSA-N 0 3 432.951 5.809 40 0 IKABHN Cc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)CCc3ccccc3)c3ccccn3)C2)c1 ZINC000019234963 569226049 /nfs/dbraw/zinc/22/60/49/569226049.db2.gz HIXPCWQFYIIFFW-LEAFIULHSA-N 0 3 427.592 5.092 40 0 IKABHN Cc1ccsc1CN1CCC[C@H]([C@@H](NC(=O)CCc2ccccc2)c2ccccn2)C1 ZINC000019238617 569226330 /nfs/dbraw/zinc/22/63/30/569226330.db2.gz HKPWKVCNGBNTTD-BKMJKUGQSA-N 0 3 433.621 5.154 40 0 IKABHN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(-c3ccccn3)cc2)C1)C1CCC1 ZINC000019402659 569226703 /nfs/dbraw/zinc/22/67/03/569226703.db2.gz NVEUZSABFSVOCN-SHQCIBLASA-N 0 3 440.591 5.013 40 0 IKABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@@H](c2cc(COc3ccc(C(C)C)cc3)[nH]n2)C1 ZINC000019704293 569233284 /nfs/dbraw/zinc/23/32/84/569233284.db2.gz HGVKFRBLBICYBS-JOCHJYFZSA-N 0 3 435.616 5.496 40 0 IKABHN Cc1ncc(CN2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2cccc(C(F)(F)F)c2)s1 ZINC000019713166 569235413 /nfs/dbraw/zinc/23/54/13/569235413.db2.gz FTAFQDMAAGFVCE-UXHICEINSA-N 0 3 437.531 5.016 40 0 IKABHN COc1c(C)cccc1CN1[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H]2NC(=O)CCC[C@H]21 ZINC000019713920 569235787 /nfs/dbraw/zinc/23/57/87/569235787.db2.gz NZHSWRARPRYWLO-PWRODBHTSA-N 0 3 432.486 5.007 40 0 IKABHN Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCN(Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855178 569249300 /nfs/dbraw/zinc/24/93/00/569249300.db2.gz QBBDWPFHEWIHBM-UGKGYDQZSA-N 0 3 426.988 5.279 40 0 IKABHN CCOC(=O)C1=C(C)NC(SCc2ccc(Cl)c(Cl)c2)=N[C@H]1c1ccccc1 ZINC000107935129 569251811 /nfs/dbraw/zinc/25/18/11/569251811.db2.gz LMRVIGOKDOMJIR-IBGZPJMESA-N 0 3 435.376 5.764 40 0 IKABHN Cc1[nH]c2ccc(F)cc2c1CN1CCC[C@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 ZINC000257201845 569275570 /nfs/dbraw/zinc/27/55/70/569275570.db2.gz AJGQIDPSXIWJID-IBGZPJMESA-N 0 3 449.520 6.259 40 0 IKABHN CCOc1cc2c(cc1CN1CCC(c3ccc(Cc4ccccc4)cn3)CC1)O[C@H](C)C2 ZINC000257204429 569275680 /nfs/dbraw/zinc/27/56/80/569275680.db2.gz AUOXKCRFFCEVGB-OAQYLSRUSA-N 0 3 442.603 5.774 40 0 IKABHN CC(=O)N(c1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccccc1OC1CCCC1)CC2 ZINC000257204831 569275761 /nfs/dbraw/zinc/27/57/61/569275761.db2.gz AWLRSOHRRLMRTN-VWLOTQADSA-N 0 3 448.607 5.185 40 0 IKABHN COc1ccccc1-c1ccccc1CN1C[C@@H](c2cccc(F)c2)[C@]2(C1)CCCC(=O)N2 ZINC000257210681 569275858 /nfs/dbraw/zinc/27/58/58/569275858.db2.gz BVRPDQBMAQLHAF-LBNVMWSVSA-N 0 3 444.550 5.140 40 0 IKABHN CCn1cc(CN2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 ZINC000257222476 569276126 /nfs/dbraw/zinc/27/61/26/569276126.db2.gz DTLOZEYPHZNBIU-NRFANRHFSA-N 0 3 428.502 5.287 40 0 IKABHN CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3cccc(F)c3)N[C@H]2c2ccc(Cl)cc2)n1 ZINC000257222202 569276146 /nfs/dbraw/zinc/27/61/46/569276146.db2.gz DSIYCVIPDREGPU-HJNYFJLDSA-N 0 3 440.950 5.256 40 0 IKABHN Cc1nc(Nc2cncc(C3CCN(Cc4ccc5ncccc5c4)CC3)n2)sc1C ZINC000257232040 569276466 /nfs/dbraw/zinc/27/64/66/569276466.db2.gz GJEHNJOIBHRZIR-UHFFFAOYSA-N 0 3 430.581 5.221 40 0 IKABHN CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2ccncc2)CC1 ZINC000257231125 569276528 /nfs/dbraw/zinc/27/65/28/569276528.db2.gz GFJJOLZHBSNAQA-UHFFFAOYSA-N 0 3 433.621 5.160 40 0 IKABHN CC1(C)Cc2cc(CN3CCC[C@@H](c4ccc(Cc5c(F)cccc5F)cn4)C3)ccc2O1 ZINC000257233498 569276632 /nfs/dbraw/zinc/27/66/32/569276632.db2.gz GPOBMWHHFQXYQI-OAQYLSRUSA-N 0 3 448.557 6.044 40 0 IKABHN COc1cccc(Cc2ccc([C@@H]3CCCN(Cc4ccc5c(c4)CC(C)(C)O5)C3)nc2)c1 ZINC000257234361 569276692 /nfs/dbraw/zinc/27/66/92/569276692.db2.gz GTEVURLXOGYNDD-XMMPIXPASA-N 0 3 442.603 5.774 40 0 IKABHN CCCc1cc(C(=O)N2CCC[C@H](c3cc(Nc4cccc(OC)c4)cc(C)n3)C2)no1 ZINC000257243735 569276907 /nfs/dbraw/zinc/27/69/07/569276907.db2.gz IIHULIXMAYPBMP-SFHVURJKSA-N 0 3 434.540 5.103 40 0 IKABHN CC(C)(C)c1nn(-c2ccccc2)c2nc(Cl)c(CNCCc3ccc(F)cc3)cc12 ZINC000257258002 569277273 /nfs/dbraw/zinc/27/72/73/569277273.db2.gz KRZTYTGUOZQLAK-UHFFFAOYSA-N 0 3 436.962 5.843 40 0 IKABHN Cc1cccc(CN2CCC(Cc3ccccc3-c3ccccc3C)(C(=O)N(C)C)CC2)n1 ZINC000257264678 569277389 /nfs/dbraw/zinc/27/73/89/569277389.db2.gz LVPKOPARRCSRKK-UHFFFAOYSA-N 0 3 441.619 5.279 40 0 IKABHN COc1cccc(CN2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)c1 ZINC000257266075 569277498 /nfs/dbraw/zinc/27/74/98/569277498.db2.gz MBLQNFPRPGOJHX-UHFFFAOYSA-N 0 3 440.509 6.079 40 0 IKABHN Cc1nn(C(C)C)c(C)c1CN1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1 ZINC000257266454 569277508 /nfs/dbraw/zinc/27/75/08/569277508.db2.gz MDCRVWLOBBOGBQ-UHFFFAOYSA-N 0 3 436.579 5.442 40 0 IKABHN Cc1cc(-c2cc3c(n[nH]c3NC3CCN(Cc4ccccc4)CC3)nc2C(C)C)on1 ZINC000257271477 569277692 /nfs/dbraw/zinc/27/76/92/569277692.db2.gz MYMLVZVDRZWMNO-UHFFFAOYSA-N 0 3 430.556 5.121 40 0 IKABHN Cc1cc(-c2cc3c(NC4CCN(Cc5ccccc5)CC4)n[nH]c3nc2C(C)C)on1 ZINC000257271477 569277694 /nfs/dbraw/zinc/27/76/94/569277694.db2.gz MYMLVZVDRZWMNO-UHFFFAOYSA-N 0 3 430.556 5.121 40 0 IKABHN CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2ccccn2)CC1 ZINC000257273170 569277722 /nfs/dbraw/zinc/27/77/22/569277722.db2.gz NFNIEFPPQDWSRN-UHFFFAOYSA-N 0 3 433.621 5.160 40 0 IKABHN Cc1ccc2c(c1)oc1c2CC(C)(C)[C@H]2CC3(CCN(Cc4ncccc4C)CC3)CO[C@H]12 ZINC000257279381 569277831 /nfs/dbraw/zinc/27/78/31/569277831.db2.gz OGHIURSNSAYZAM-HOFKKMOUSA-N 0 3 444.619 6.387 40 0 IKABHN CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(Cc2cccc(Cl)c2)CC1 ZINC000257284039 569277996 /nfs/dbraw/zinc/27/79/96/569277996.db2.gz PAZZPJCYDVNOOL-UHFFFAOYSA-N 0 3 448.010 5.363 40 0 IKABHN CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(Cc2ccncc2)CC1 ZINC000257280364 569278006 /nfs/dbraw/zinc/27/80/06/569278006.db2.gz OKOAZTOVLWRNNS-UHFFFAOYSA-N 0 3 433.621 5.160 40 0 IKABHN COc1cccc(Cc2ccc([C@H]3CCCN3Cc3c(C)cc(OC)c(C)c3C)nc2)c1 ZINC000257288440 569278091 /nfs/dbraw/zinc/27/80/91/569278091.db2.gz PUFFEZUMDPVJBC-HHHXNRCGSA-N 0 3 430.592 5.952 40 0 IKABHN Cc1nc2cc(C(=O)N3CC[C@H](c4cc(Nc5cccc(F)c5)cc(C)n4)C3)ccc2n1C ZINC000257291569 569278244 /nfs/dbraw/zinc/27/82/44/569278244.db2.gz QHOOHVGDGVJMNN-IBGZPJMESA-N 0 3 443.526 5.098 40 0 IKABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@H](c2c3ccccc3sc2C(=O)NC(C)C)C1 ZINC000257302161 569278572 /nfs/dbraw/zinc/27/85/72/569278572.db2.gz SBTJZDXBGIJWTH-IBGZPJMESA-N 0 3 438.641 5.423 40 0 IKABHN Fc1ccccc1O[C@@H]1COC2(C1)CCN(Cc1ccccc1OCc1cccnc1)CC2 ZINC000257315039 569278938 /nfs/dbraw/zinc/27/89/38/569278938.db2.gz UZQLWKUPACNDJM-QHCPKHFHSA-N 0 3 448.538 5.002 40 0 IKABHN Cc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CCc4cc(OC(C)C)no4)C3)c2)cc1 ZINC000257314865 569278987 /nfs/dbraw/zinc/27/89/87/569278987.db2.gz UYVTWFPSXONPCR-HXUWFJFHSA-N 0 3 448.567 5.166 40 0 IKABHN Cc1[nH]c2ccc(F)cc2c1CN1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1 ZINC000257312550 569279015 /nfs/dbraw/zinc/27/90/15/569279015.db2.gz UOMIKOHVEKWKBT-UHFFFAOYSA-N 0 3 442.538 5.156 40 0 IKABHN CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(Cc2ccncc2)CC1 ZINC000257319252 569279115 /nfs/dbraw/zinc/27/91/15/569279115.db2.gz VRNGFKRFNKYNTJ-UHFFFAOYSA-N 0 3 445.582 5.237 40 0 IKABHN COCc1cc(CN2CCC(c3ccc(Cc4ccccc4)cn3)CC2)ccc1OC(C)C ZINC000257329316 569279429 /nfs/dbraw/zinc/27/94/29/569279429.db2.gz XJIFORXEQZKEHB-UHFFFAOYSA-N 0 3 444.619 5.986 40 0 IKABHN CCOc1ccc(CN2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)cc1CO ZINC000257329390 569279576 /nfs/dbraw/zinc/27/95/76/569279576.db2.gz XJUPROBVQXPARJ-UHFFFAOYSA-N 0 3 434.555 5.082 40 0 IKABHN COc1cccc(Cc2ccc(C3CCN(Cc4cc5c(cc4OC)CCC5)CC3)nc2)c1 ZINC000257344427 569279983 /nfs/dbraw/zinc/27/99/83/569279983.db2.gz ZXEFELRYLHVMBZ-UHFFFAOYSA-N 0 3 442.603 5.558 40 0 IKABHN C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000260833527 569281882 /nfs/dbraw/zinc/28/18/82/569281882.db2.gz XQWZMEHORIKUKF-WBVHZDCISA-N 0 3 447.804 5.292 40 0 IKABHN CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000019081907 518587798 /nfs/dbraw/zinc/58/77/98/518587798.db2.gz WQCKZFODFKODBS-GJZUVCINSA-N 0 3 449.639 5.519 40 0 IKABHN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(CN4CCCC4)cc3)c2)cc1 ZINC000020457479 519024086 /nfs/dbraw/zinc/02/40/86/519024086.db2.gz BDRXNQYBLSQNCV-UHFFFAOYSA-N 0 3 440.587 6.063 40 0 IKABHN CCOc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl ZINC000016689271 520721161 /nfs/dbraw/zinc/72/11/61/520721161.db2.gz FLJJNNIQPSPSBN-UHFFFAOYSA-N 0 3 425.912 5.336 40 0 IKABHN CCOc1cc(CNCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000022076743 520722937 /nfs/dbraw/zinc/72/29/37/520722937.db2.gz SCDPXMZDZYFBNE-UHFFFAOYSA-N 0 3 446.374 6.270 40 0 IKABHN CCOc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000022074193 520725984 /nfs/dbraw/zinc/72/59/84/520725984.db2.gz RUBVUAIMJXUPEH-KRWDZBQOSA-N 0 3 430.375 6.822 40 0 IKABHN CCOc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022074191 520730918 /nfs/dbraw/zinc/73/09/18/520730918.db2.gz SRFXEIZCXBDFRC-QGZVFWFLSA-N 0 3 430.375 6.822 40 0 IKABHN CC1CCN(Cc2ccc(C(=O)NCCSCc3c(F)cccc3Cl)cc2)CC1 ZINC000022533418 521022646 /nfs/dbraw/zinc/02/26/46/521022646.db2.gz ALGYBGXXMVXTKI-UHFFFAOYSA-N 0 3 435.008 5.374 40 0 IKABHN COc1ccc(CNCc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 ZINC000022076790 524072834 /nfs/dbraw/zinc/07/28/34/524072834.db2.gz CJTFOGBBNQXLHM-UHFFFAOYSA-N 0 3 432.347 5.879 40 0 IKABHN Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@H](c2ccccc2)N2CCCCC2)c(C)c1 ZINC000001720316 524245066 /nfs/dbraw/zinc/24/50/66/524245066.db2.gz WMVITKWUIQLBGX-NSOVKSMOSA-N 0 3 427.588 6.737 40 0 IKABHN C[C@H](NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21)c1ccccc1 ZINC000022074144 525427123 /nfs/dbraw/zinc/42/71/23/525427123.db2.gz BIDJWOPUXJQJJU-SFHVURJKSA-N 0 3 436.382 7.576 40 0 IKABHN C[C@@H](NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21)c1ccccc1 ZINC000022074142 525509740 /nfs/dbraw/zinc/50/97/40/525509740.db2.gz BIDJWOPUXJQJJU-GOSISDBHSA-N 0 3 436.382 7.576 40 0 IKABHN C[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)CN(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000035930630 525673436 /nfs/dbraw/zinc/67/34/36/525673436.db2.gz LBMQWGLSKLHDSA-MQZDDTPHSA-N 0 3 445.606 7.163 40 0 IKABHN Clc1cc(Cl)cc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)c1 ZINC000022108115 526928608 /nfs/dbraw/zinc/92/86/08/526928608.db2.gz DVQHHMYHOWRDAI-UHFFFAOYSA-N 0 3 446.363 5.111 40 0 IKABHN O=c1c(-c2cccc(C(F)(F)F)c2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 ZINC000020503177 527449554 /nfs/dbraw/zinc/44/95/54/527449554.db2.gz YCJRWCVCNYXUPZ-DOTOQJQBSA-N 0 3 430.495 5.215 40 0 biogenic,in-vitro IKABHN CN(Cc1ccccc1)[C@@H](c1ccccc1)[C@]1(c2ccccc2)Cc2ccccc2C(=O)O1 ZINC000001583635 555704295 /nfs/dbraw/zinc/70/42/95/555704295.db2.gz ZUCWJCZDTZGBHU-MFMCTBQISA-N 0 3 433.551 6.168 40 0 IKABHN N[C@@H](CCCCCCCCCCCC[C@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000005759563 556064823 /nfs/dbraw/zinc/06/48/23/556064823.db2.gz YITBJFFBJDRKLW-UIOOFZCWSA-N 0 3 436.640 6.088 40 0 IKABHN C[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)C1(O)c1ccc(F)cc1 ZINC000009235900 556263488 /nfs/dbraw/zinc/26/34/88/556263488.db2.gz CRQSSISIXUBQTB-SVQWOZSSSA-N 0 3 444.377 6.678 40 0 IKABHN C[C@@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)CN(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000013763892 556301891 /nfs/dbraw/zinc/30/18/91/556301891.db2.gz LBMQWGLSKLHDSA-MOBIUZRASA-N 0 3 445.606 7.163 40 0 IKABHN COc1ccc2c(c1)N[C@@]1(COC3(C1)CCN(Cc1cccc(Cl)c1)CC3)c1cccn1-2 ZINC000012086188 556399708 /nfs/dbraw/zinc/39/97/08/556399708.db2.gz HPMNYLUYUDYCMP-SANMLTNESA-N 0 3 449.982 5.215 40 0 IKABHN Cc1ccc(CN2CCC(C(=O)NCCSCc3c(F)cccc3Cl)CC2)cc1 ZINC000039766691 556437051 /nfs/dbraw/zinc/43/70/51/556437051.db2.gz UXPDWLBWXHMORI-UHFFFAOYSA-N 0 3 435.008 5.049 40 0 IKABHN C[C@H](NC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000039773085 556437807 /nfs/dbraw/zinc/43/78/07/556437807.db2.gz NXVSTIMCRANIIG-NRFANRHFSA-N 0 3 441.575 5.028 40 0 IKABHN Cc1ccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)CC2)cc1 ZINC000039754478 556439150 /nfs/dbraw/zinc/43/91/50/556439150.db2.gz HNUKUSKQDNGEKO-UHFFFAOYSA-N 0 3 434.967 6.291 40 0 IKABHN Clc1ccc2c(c1)c(-c1ccccc1)nn2CCCCN1CCN(c2ccccc2)CC1 ZINC000028048307 556443046 /nfs/dbraw/zinc/44/30/46/556443046.db2.gz WYCUHAWJCOSJLN-UHFFFAOYSA-N 0 3 445.010 5.959 40 0 IKABHN CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000030943325 556516647 /nfs/dbraw/zinc/51/66/47/556516647.db2.gz POMHTLROKNOQMD-HXUWFJFHSA-N 0 3 428.960 5.148 40 0 IKABHN Cc1ccc(NC(=[NH2+])Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[n-]2)cc1Cl ZINC000013634056 556540138 /nfs/dbraw/zinc/54/01/38/556540138.db2.gz WILODQGANPXEHV-UHFFFAOYSA-N 0 3 434.352 5.136 40 0 IKABHN Cc1ccc(NC(=N)Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)cc1Cl ZINC000013634056 556540143 /nfs/dbraw/zinc/54/01/43/556540143.db2.gz WILODQGANPXEHV-UHFFFAOYSA-N 0 3 434.352 5.136 40 0 IKABHN COc1ccc([C@@H](CNC(=S)Nc2ccc(F)c(Cl)c2)N2CCCCCC2)cc1 ZINC000032555784 556540959 /nfs/dbraw/zinc/54/09/59/556540959.db2.gz AKCXOIYBJBFTIZ-OAQYLSRUSA-N 0 3 435.996 5.391 40 0 IKABHN COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000016196303 556590680 /nfs/dbraw/zinc/59/06/80/556590680.db2.gz BWNNKPIZXIHJEG-OAQYLSRUSA-N 0 3 432.347 5.404 40 0 IKABHN COc1cccc(CNCCc2ccc(F)cc2)c1OCc1ccc(Cl)cc1Cl ZINC000016228248 556593523 /nfs/dbraw/zinc/59/35/23/556593523.db2.gz CNWSKEBJMFZMBZ-UHFFFAOYSA-N 0 3 434.338 6.052 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000100901254 556599943 /nfs/dbraw/zinc/59/99/43/556599943.db2.gz IBKYNEFOMSOAHD-ACRUOGEOSA-N 0 3 439.298 5.045 40 0 IKABHN Fc1ccccc1CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000016449528 556608957 /nfs/dbraw/zinc/60/89/57/556608957.db2.gz MVJUIABXIOQOKI-UHFFFAOYSA-N 0 3 438.757 6.697 40 0 IKABHN COc1ccc(C[C@]2(C)CN(C(c3ccccc3)c3ccccc3)CCN2C)cc1OC ZINC000038655326 556615258 /nfs/dbraw/zinc/61/52/58/556615258.db2.gz HBIDWFPFQACMBQ-MUUNZHRXSA-N 0 3 430.592 5.042 40 0 in-man IKABHN CC[C@H](CO)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016611390 556618297 /nfs/dbraw/zinc/61/82/97/556618297.db2.gz AUEQTGYZSLHILG-MRXNPFEDSA-N 0 3 433.173 5.195 40 0 IKABHN CC[C@@H](CO)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016611388 556618337 /nfs/dbraw/zinc/61/83/37/556618337.db2.gz AUEQTGYZSLHILG-INIZCTEOSA-N 0 3 433.173 5.195 40 0 IKABHN CCCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016638537 556619467 /nfs/dbraw/zinc/61/94/67/556619467.db2.gz FUDNZUBPWGPLLP-UHFFFAOYSA-N 0 3 431.201 6.615 40 0 IKABHN CCOCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016687994 556625709 /nfs/dbraw/zinc/62/57/09/556625709.db2.gz QELVESDTWFCOAP-UHFFFAOYSA-N 0 3 447.200 5.851 40 0 IKABHN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038860826 556626344 /nfs/dbraw/zinc/62/63/44/556626344.db2.gz UMQCYFCFIGXDFF-LJQANCHMSA-N 0 3 438.930 6.122 40 0 IKABHN CCOc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccccc1Cl ZINC000016688697 556626730 /nfs/dbraw/zinc/62/67/30/556626730.db2.gz BLRKKTFUIQVCFZ-UHFFFAOYSA-N 0 3 448.365 6.443 40 0 IKABHN CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000016688742 556626986 /nfs/dbraw/zinc/62/69/86/556626986.db2.gz JCYSSTZVGRHVSD-JOCHJYFZSA-N 0 3 429.919 5.280 40 0 IKABHN C[C@@H]([C@H](O)c1ccccc1)N1CCC(N(C(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000016697373 556628849 /nfs/dbraw/zinc/62/88/49/556628849.db2.gz LFQIYONICSBQHG-CUNXSJBXSA-N 0 3 444.575 5.416 40 0 IKABHN C[C@H]([C@H](O)c1ccccc1)N1CCC(N(C(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000016697375 556629139 /nfs/dbraw/zinc/62/91/39/556629139.db2.gz LFQIYONICSBQHG-AMGIVPHBSA-N 0 3 444.575 5.416 40 0 IKABHN C(=C/CN(Cc1ccccc1)Cc1ccccc1)\CN(Cc1ccccc1)Cc1ccccc1 ZINC000016969261 556651518 /nfs/dbraw/zinc/65/15/18/556651518.db2.gz DROKKWZETPKKGN-BUHFOSPRSA-N 0 3 446.638 6.947 40 0 IKABHN CCc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000101090329 556654466 /nfs/dbraw/zinc/65/44/66/556654466.db2.gz ZVBJMQNTKVGGNM-QKDODKLFSA-N 0 3 448.522 5.453 40 0 IKABHN CCCOc1ccccc1CCCNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044851542 556670566 /nfs/dbraw/zinc/67/05/66/556670566.db2.gz TXMZLFPPONXGKV-QFIPXVFZSA-N 0 3 429.004 5.090 40 0 IKABHN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000044855429 556671686 /nfs/dbraw/zinc/67/16/86/556671686.db2.gz HPQIPCUTZLBFIS-SANMLTNESA-N 0 3 440.587 5.586 40 0 IKABHN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044855325 556671702 /nfs/dbraw/zinc/67/17/02/556671702.db2.gz OAAGBHZUELTVFN-KNQAVFIVSA-N 0 3 426.988 5.279 40 0 IKABHN CC(C)Oc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000044916557 556681577 /nfs/dbraw/zinc/68/15/77/556681577.db2.gz GPXNRSBGYZXZCH-UHFFFAOYSA-N 0 3 442.603 5.395 40 0 IKABHN O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000044917320 556681591 /nfs/dbraw/zinc/68/15/91/556681591.db2.gz CKNZXCKMZLYROW-UHFFFAOYSA-N 0 3 426.560 5.819 40 0 IKABHN Cc1ccccc1[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000044937740 556682982 /nfs/dbraw/zinc/68/29/82/556682982.db2.gz LCUJQHZZILIEHY-PMERELPUSA-N 0 3 446.594 6.073 40 0 IKABHN COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044937099 556683015 /nfs/dbraw/zinc/68/30/15/556683015.db2.gz RSIAANWTGKPVES-ZJSXRUAMSA-N 0 3 429.004 5.464 40 0 IKABHN CCOC(=O)C1=C(C)NC(SCc2ccc(Br)cc2)=N[C@@H]1c1ccccc1 ZINC000408987163 556690973 /nfs/dbraw/zinc/69/09/73/556690973.db2.gz DVCIGMDEUCOXNG-LJQANCHMSA-N 0 3 445.382 5.220 40 0 IKABHN CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000019082053 556697020 /nfs/dbraw/zinc/69/70/20/556697020.db2.gz LNOTYRPWWXFJKM-AREMUKBSSA-N 0 3 449.639 5.519 40 0 IKABHN Cc1ccc2c(c1)[nH]cc2[C@H](O)CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2 ZINC000019219729 556714067 /nfs/dbraw/zinc/71/40/67/556714067.db2.gz ZWROJRGVUNUVNA-IZZNHLLZSA-N 0 3 442.559 5.014 40 0 IKABHN COc1c(C)cccc1CN1CCC[C@@H]([C@@H](NC(=O)c2ccccc2C)c2ccccn2)C1 ZINC000019236834 556721480 /nfs/dbraw/zinc/72/14/80/556721480.db2.gz OMCGVHHFEZRBJQ-ATIYNZHBSA-N 0 3 443.591 5.090 40 0 IKABHN COc1ccc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(C)c1C ZINC000019239789 556725638 /nfs/dbraw/zinc/72/56/38/556725638.db2.gz UKAKYRXTUVMUFK-DEOSSOPVSA-N 0 3 445.611 5.266 40 0 IKABHN Fc1cccc(Nc2cc(-c3cccnc3)nc(C3CCN(Cc4ccncc4)CC3)n2)c1 ZINC000019294177 556734275 /nfs/dbraw/zinc/73/42/75/556734275.db2.gz XKKDNBJGQGZHAK-UHFFFAOYSA-N 0 3 440.526 5.196 40 0 IKABHN O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccsc3)CC[C@H]21 ZINC000019347736 556743550 /nfs/dbraw/zinc/74/35/50/556743550.db2.gz LHJHDPOETRCZDD-KCZVDYSFSA-N 0 3 426.582 5.079 40 0 IKABHN O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3Cl)CC[C@@H]21 ZINC000019369012 556746866 /nfs/dbraw/zinc/74/68/66/556746866.db2.gz FSKBFJNJSSKAJW-FIXSFTCYSA-N 0 3 437.008 5.532 40 0 IKABHN O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000019368999 556746878 /nfs/dbraw/zinc/74/68/78/556746878.db2.gz XUSDWBXVIPFFBE-HJOGWXRNSA-N 0 3 437.008 5.532 40 0 IKABHN O=C(c1ccccn1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000019400252 556752840 /nfs/dbraw/zinc/75/28/40/556752840.db2.gz YDZKKHWYUPUBSH-VDKIKQQVSA-N 0 3 449.957 5.004 40 0 IKABHN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)C1CCC1 ZINC000019400666 556753051 /nfs/dbraw/zinc/75/30/51/556753051.db2.gz IJYQIGXWGGCOGZ-HOFKKMOUSA-N 0 3 447.623 5.273 40 0 IKABHN O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)C1CCC1 ZINC000019400669 556753325 /nfs/dbraw/zinc/75/33/25/556753325.db2.gz IJYQIGXWGGCOGZ-WNCULLNHSA-N 0 3 447.623 5.273 40 0 IKABHN Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000019401695 556753875 /nfs/dbraw/zinc/75/38/75/556753875.db2.gz UXUNIZPJHPCJDN-HXUWFJFHSA-N 0 3 440.526 5.196 40 0 IKABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)cc1 ZINC000002329047 556760888 /nfs/dbraw/zinc/76/08/88/556760888.db2.gz QMPCFFAWGGZZJL-SDHSZQHLSA-N 0 3 440.543 5.344 40 0 IKABHN CC(C)Oc1ccc(CN2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)cc1 ZINC000019450602 556761431 /nfs/dbraw/zinc/76/14/31/556761431.db2.gz SZNDIVOHKMRXMW-RUZDIDTESA-N 0 3 449.620 5.314 40 0 IKABHN CC(C)c1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)c2ccncc2)cc1 ZINC000019453278 556764005 /nfs/dbraw/zinc/76/40/05/556764005.db2.gz VLYYCYJHHNVRDS-GSDHBNRESA-N 0 3 445.632 5.397 40 0 IKABHN CC(C)n1cc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c2ccccc21 ZINC000019454803 556764883 /nfs/dbraw/zinc/76/48/83/556764883.db2.gz SOPKNZRLDLWPMN-AREMUKBSSA-N 0 3 446.639 5.733 40 0 IKABHN CCc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000019522097 556779491 /nfs/dbraw/zinc/77/94/91/556779491.db2.gz WLDQDOSYBBGKJO-UHFFFAOYSA-N 0 3 449.473 5.201 40 0 IKABHN CCOc1cc(CN2CCC(c3noc4nc(C)cc(C(F)(F)F)c43)CC2)ccc1OC ZINC000019531932 556792331 /nfs/dbraw/zinc/79/23/31/556792331.db2.gz PUEDSJZKINZQHK-UHFFFAOYSA-N 0 3 449.473 5.337 40 0 IKABHN COc1ccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C2CCCCC2)cc1 ZINC000019555445 556798286 /nfs/dbraw/zinc/79/82/86/556798286.db2.gz CZOFHFXAZVEDAD-UBFVSLLYSA-N 0 3 438.637 5.154 40 0 IKABHN COc1cc(C)c(CN(Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OC ZINC000019567014 556807279 /nfs/dbraw/zinc/80/72/79/556807279.db2.gz GWGUQWUTUGNCKT-XUZZJYLKSA-N 0 3 435.568 5.117 40 0 IKABHN Cc1[nH]c2ccccc2c1[C@H](O)CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2 ZINC000019581653 556819630 /nfs/dbraw/zinc/81/96/30/556819630.db2.gz SNFHUXMLVXTTSW-JWQCQUIFSA-N 0 3 442.559 5.014 40 0 IKABHN COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1ccccc1)N2Cc1ccccc1 ZINC000004981600 556826474 /nfs/dbraw/zinc/82/64/74/556826474.db2.gz ABUKBCAATVFRLI-NRLAXTHWSA-N 0 3 427.544 5.441 40 0 IKABHN CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN2Cc2ccc3ncccc3c2)n1 ZINC000019687422 556841934 /nfs/dbraw/zinc/84/19/34/556841934.db2.gz KRDDMDGBAAWLPX-DEOSSOPVSA-N 0 3 427.527 5.234 40 0 IKABHN Cc1c(CN2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)cnn1C ZINC000019690493 556846478 /nfs/dbraw/zinc/84/64/78/556846478.db2.gz SYDALLCEXOSNAX-UHFFFAOYSA-N 0 3 428.502 5.113 40 0 IKABHN COCc1cc(CN2CCC(c3cc(-c4cncnc4)cc(C)n3)CC2)ccc1OC(C)C ZINC000019692131 556848193 /nfs/dbraw/zinc/84/81/93/556848193.db2.gz MBXAPOWCLNMNQL-UHFFFAOYSA-N 0 3 446.595 5.160 40 0 IKABHN Cc1nn(-c2ccccn2)c2nc([C@@H]3CCCN3Cc3c(C)[nH]c4ccc(F)cc43)ccc12 ZINC000019742446 556886499 /nfs/dbraw/zinc/88/64/99/556886499.db2.gz YWEMIEDLZBCAGE-DEOSSOPVSA-N 0 3 440.526 5.390 40 0 IKABHN Cc1nn(-c2ccccn2)c2nc([C@H]3CCCN3Cc3cn(C)c4ccc(F)cc34)ccc12 ZINC000019742438 556886511 /nfs/dbraw/zinc/88/65/11/556886511.db2.gz BQTGMLDEOKJJMJ-XMMPIXPASA-N 0 3 440.526 5.092 40 0 IKABHN Cn1cc(CN2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c2ccccc21 ZINC000072330429 556905425 /nfs/dbraw/zinc/90/54/25/556905425.db2.gz SJVXRBDLXUORKH-CLOONOSVSA-N 0 3 444.604 5.018 40 0 IKABHN C/C(=C\c1ccccc1)CN1CCC[C@@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330477 556905873 /nfs/dbraw/zinc/90/58/73/556905873.db2.gz NEXFORKBUORCEF-PQPYZNTLSA-N 0 3 439.603 5.297 40 0 IKABHN CCOC(=O)C1=C(C)NC(SCc2ccccc2)=N[C@@H]1c1cccc(Br)c1 ZINC000408985185 556908965 /nfs/dbraw/zinc/90/89/65/556908965.db2.gz ADDCNVXGJWPXIT-LJQANCHMSA-N 0 3 445.382 5.220 40 0 IKABHN COc1ccc2c(CN3CC[C@H](c4c5ccccc5sc4C(=O)N(C)C)C3)cn(C)c2c1 ZINC000072352284 556923646 /nfs/dbraw/zinc/92/36/46/556923646.db2.gz STFOPRNKEOINDS-KRWDZBQOSA-N 0 3 447.604 5.093 40 0 IKABHN COc1ccc2c(CN3CC[C@@H](c4c5ccccc5sc4C(=O)N(C)C)C3)cn(C)c2c1 ZINC000072352285 556923670 /nfs/dbraw/zinc/92/36/70/556923670.db2.gz STFOPRNKEOINDS-QGZVFWFLSA-N 0 3 447.604 5.093 40 0 IKABHN CC(=O)N1CC[C@H](c2c3ccccc3sc2C(=O)Nc2cccc(CN3CCCC3)c2)C1 ZINC000072352642 556924773 /nfs/dbraw/zinc/92/47/73/556924773.db2.gz GAOFMGONUJYGJG-FQEVSTJZSA-N 0 3 447.604 5.085 40 0 IKABHN OCCCn1cc(CN2CCC[C@H]2c2ccc(Nc3ccc(F)cn3)cn2)c2ccccc21 ZINC000072353189 556925836 /nfs/dbraw/zinc/92/58/36/556925836.db2.gz HETZVIQGCYTTBZ-VWLOTQADSA-N 0 3 445.542 5.034 40 0 IKABHN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1Cc1ccc2cccc(OC)c2n1 ZINC000072370373 556934705 /nfs/dbraw/zinc/93/47/05/556934705.db2.gz JLHIVEAWVNSLLS-IBGZPJMESA-N 0 3 445.588 5.025 40 0 IKABHN CCOc1ccc(CN2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)cc1CO ZINC000072372714 556943882 /nfs/dbraw/zinc/94/38/82/556943882.db2.gz XTDOADFSLXYUBT-JOCHJYFZSA-N 0 3 438.597 5.127 40 0 IKABHN CC(=O)Nc1ccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cc1 ZINC000072376621 556955046 /nfs/dbraw/zinc/95/50/46/556955046.db2.gz ZJZRLUMPFICWKE-HSZRJFAPSA-N 0 3 449.986 5.159 40 0 IKABHN Cc1c(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)oc2ccc(C)cc12 ZINC000072394603 556965874 /nfs/dbraw/zinc/96/58/74/556965874.db2.gz IINWLOKNNJHZFI-JOCHJYFZSA-N 0 3 439.625 5.622 40 0 IKABHN CCOc1cc2c(cc1CN1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCC2 ZINC000072398617 556970247 /nfs/dbraw/zinc/97/02/47/556970247.db2.gz HPMDLLFMLUYPQP-GJZUVCINSA-N 0 3 449.639 5.085 40 0 IKABHN COc1cc2c(cc1CN1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCCC2 ZINC000072398613 556970305 /nfs/dbraw/zinc/97/03/05/556970305.db2.gz NPLWUADKUOXYNA-NVQXNPDNSA-N 0 3 449.639 5.085 40 0 IKABHN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000408575205 557042305 /nfs/dbraw/zinc/04/23/05/557042305.db2.gz HGVPUPDFDQXTQT-UHFFFAOYSA-N 0 3 444.884 6.169 40 0 IKABHN COc1cc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(OC)cc1Cl ZINC000408576087 557045509 /nfs/dbraw/zinc/04/55/09/557045509.db2.gz RIHCKJAUZYGXQC-UHFFFAOYSA-N 0 3 436.939 5.168 40 0 IKABHN O=C(Cc1ccc(Cl)cc1)N1CC2(C1)CCN(Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000096203004 557182813 /nfs/dbraw/zinc/18/28/13/557182813.db2.gz XTLDQGOPZKTXDA-UHFFFAOYSA-N 0 3 436.905 5.026 40 0 IKABHN O=C(Cc1ccc(Cl)cc1)N1CCC2(CN(CC(c3ccccc3)c3ccccc3)C2)C1 ZINC000096202441 557182912 /nfs/dbraw/zinc/18/29/12/557182912.db2.gz PTGVOZMCVLPCTJ-UHFFFAOYSA-N 0 3 445.006 5.249 40 0 IKABHN COc1ccc(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(C)c1C ZINC000096315920 557198396 /nfs/dbraw/zinc/19/83/96/557198396.db2.gz UKAKYRXTUVMUFK-XMMPIXPASA-N 0 3 445.611 5.266 40 0 IKABHN O=C(C1CCCC1)N1CCc2c3ccccc3[nH]c2C12CCN(Cc1ccccc1)CC2 ZINC000057731753 557260016 /nfs/dbraw/zinc/26/00/16/557260016.db2.gz GZIMCAVPTKANBZ-UHFFFAOYSA-N 0 3 427.592 5.234 40 0 IKABHN CCc1cccc(CC)c1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000219960358 557272362 /nfs/dbraw/zinc/27/23/62/557272362.db2.gz QFZFEBWDRJEUBF-UHFFFAOYSA-N 0 3 440.631 6.518 40 0 IKABHN CC(C)Oc1cccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000219961221 557272706 /nfs/dbraw/zinc/27/27/06/557272706.db2.gz JBHYALMZDQLBCA-UHFFFAOYSA-N 0 3 442.603 6.181 40 0 IKABHN C[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)CN(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000102673748 557305201 /nfs/dbraw/zinc/30/52/01/557305201.db2.gz LBMQWGLSKLHDSA-QOTGBRPGSA-N 0 3 445.606 7.163 40 0 IKABHN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2Cc2ccccc2)cn1)C1CCCCC1 ZINC000072215672 557342632 /nfs/dbraw/zinc/34/26/32/557342632.db2.gz KXOBNANCGZVSSZ-XMMPIXPASA-N 0 3 435.612 6.493 40 0 IKABHN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072215792 557342690 /nfs/dbraw/zinc/34/26/90/557342690.db2.gz WTHVZZBIDYHXQQ-XMMPIXPASA-N 0 3 429.564 6.492 40 0 IKABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000101133849 557369582 /nfs/dbraw/zinc/36/95/82/557369582.db2.gz QMPCFFAWGGZZJL-GVAUOCQISA-N 0 3 440.543 5.344 40 0 IKABHN CN1CCC(Oc2ccc(NC(=O)CSCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000222730463 557380361 /nfs/dbraw/zinc/38/03/61/557380361.db2.gz SZVOPQWRMBZFEA-UHFFFAOYSA-N 0 3 439.408 5.338 40 0 IKABHN CCOc1ccc(CNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000113958690 557381594 /nfs/dbraw/zinc/38/15/94/557381594.db2.gz MMWIUZMVPYNMFA-UHFFFAOYSA-N 0 3 442.603 5.470 40 0 IKABHN O=C(N[C@H]1CCCc2ccccc21)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958805 557381735 /nfs/dbraw/zinc/38/17/35/557381735.db2.gz IQEFWZFCLBGLQZ-LJAQVGFWSA-N 0 3 438.615 5.949 40 0 IKABHN CCOc1cccc(CNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000113958695 557381770 /nfs/dbraw/zinc/38/17/70/557381770.db2.gz DGCCYQPOZUWLPS-UHFFFAOYSA-N 0 3 442.603 5.470 40 0 IKABHN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)c1 ZINC000113958917 557381935 /nfs/dbraw/zinc/38/19/35/557381935.db2.gz JSOMSHHSRPNRLN-XMMPIXPASA-N 0 3 440.631 6.249 40 0 IKABHN COc1cccc(Cc2cccc([C@@H]3CCCN(Cc4ccc(NC(C)=O)cc4)C3)n2)c1 ZINC000072349946 557385027 /nfs/dbraw/zinc/38/50/27/557385027.db2.gz FHUZNYPWEJFYRB-HSZRJFAPSA-N 0 3 429.564 5.019 40 0 IKABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)c1 ZINC000101147560 557389717 /nfs/dbraw/zinc/38/97/17/557389717.db2.gz LDNOEDBPXLUFCK-SDHOMARFSA-N 0 3 440.543 5.344 40 0 IKABHN C[C@@H]1CC[C@@H]2[C@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)OCN2C1 ZINC000118915989 557405802 /nfs/dbraw/zinc/40/58/02/557405802.db2.gz GRMUAQMHJKQVFL-XQVDLDROSA-N 0 3 427.673 5.629 40 0 IKABHN CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCCC2 ZINC000223019428 557416097 /nfs/dbraw/zinc/41/60/97/557416097.db2.gz HQPFIWZAGUNCAC-LJAQVGFWSA-N 0 3 438.615 6.005 40 0 IKABHN CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000223123406 557434871 /nfs/dbraw/zinc/43/48/71/557434871.db2.gz XFEFREDSUKETQO-ILBGXUMGSA-N 0 3 425.016 5.698 40 0 IKABHN Cc1cccc(C2Nc3ccccc3SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)c1 ZINC000017098242 557480629 /nfs/dbraw/zinc/48/06/29/557480629.db2.gz BRAKHPTVCTZZOM-OAQYLSRUSA-N 0 3 432.932 5.735 40 0 IKABHN Cc1cccc(C2Nc3ccccc3SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)c1 ZINC000017098241 557480637 /nfs/dbraw/zinc/48/06/37/557480637.db2.gz BRAKHPTVCTZZOM-NRFANRHFSA-N 0 3 432.932 5.735 40 0 IKABHN O=C(NCCOc1cccc2ccccc21)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223509630 557480684 /nfs/dbraw/zinc/48/06/84/557480684.db2.gz ZCBWELYADUOEMP-UHFFFAOYSA-N 0 3 436.555 5.207 40 0 IKABHN CC(C)(C)c1ccc(OCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000223656681 557498255 /nfs/dbraw/zinc/49/82/55/557498255.db2.gz HAOGGJSMBMGUJB-FQEVSTJZSA-N 0 3 429.004 5.045 40 0 IKABHN CC(C)(C)c1ccc(OCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000223656622 557498343 /nfs/dbraw/zinc/49/83/43/557498343.db2.gz HAOGGJSMBMGUJB-HXUWFJFHSA-N 0 3 429.004 5.045 40 0 IKABHN CCc1ccc(N2C(=O)C3=C(C2=O)C(c2ccc(OC)cc2)Nc2ccccc2S3)cc1 ZINC000019636385 557502863 /nfs/dbraw/zinc/50/28/63/557502863.db2.gz AOJQUHMGWASZER-QHCPKHFHSA-N 0 3 442.540 5.344 40 0 IKABHN CCOc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000020241899 557519535 /nfs/dbraw/zinc/51/95/35/557519535.db2.gz QXDAUYFCJBLGHX-UHFFFAOYSA-N 0 3 428.576 5.792 40 0 IKABHN CC1CCN(Cc2ccc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)cc2)CC1 ZINC000223881929 557524830 /nfs/dbraw/zinc/52/48/30/557524830.db2.gz MSAGEJRGHNAFCO-UHFFFAOYSA-N 0 3 426.973 5.343 40 0 IKABHN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1C ZINC000224259999 557582177 /nfs/dbraw/zinc/58/21/77/557582177.db2.gz GIILFJAXNVQRPR-BJKOFHAPSA-N 0 3 425.561 5.061 40 0 IKABHN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)c1 ZINC000224292483 557586456 /nfs/dbraw/zinc/58/64/56/557586456.db2.gz GLVOZFZPKDPEDS-RPWUZVMVSA-N 0 3 425.561 5.061 40 0 IKABHN Cc1ccccc1CN1CCC(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000224345736 557595199 /nfs/dbraw/zinc/59/51/99/557595199.db2.gz DOYXRQWPDJCNCK-UHFFFAOYSA-N 0 3 426.973 5.018 40 0 IKABHN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 ZINC000224359808 557597797 /nfs/dbraw/zinc/59/77/97/557597797.db2.gz AGCWCNFGRILBDD-DQEYMECFSA-N 0 3 439.588 5.568 40 0 IKABHN O=C(NCc1ccccc1CN1CCCCC1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000224841744 557657489 /nfs/dbraw/zinc/65/74/89/557657489.db2.gz IQYLBNFCPSGOLT-UHFFFAOYSA-N 0 3 448.994 5.835 40 0 IKABHN O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccccc1CN1CCCCC1 ZINC000224849519 557658663 /nfs/dbraw/zinc/65/86/63/557658663.db2.gz HXWODBSPOKNLDB-UHFFFAOYSA-N 0 3 437.436 5.529 40 0 IKABHN O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000225550659 557740854 /nfs/dbraw/zinc/74/08/54/557740854.db2.gz YNLHXVYLWMALNH-UHFFFAOYSA-N 0 3 426.988 5.655 40 0 IKABHN O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccccc2Cl)CCCCC1 ZINC000225553549 557741214 /nfs/dbraw/zinc/74/12/14/557741214.db2.gz ZRHKKMJMAAUNKC-UHFFFAOYSA-N 0 3 426.988 5.655 40 0 IKABHN COc1ccccc1[C@H](C)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000225824327 557781542 /nfs/dbraw/zinc/78/15/42/557781542.db2.gz YCXGDJMPWKZXRQ-QFIPXVFZSA-N 0 3 442.603 5.641 40 0 IKABHN O=C(c1ccccc1F)N1CCC(CCCC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000059474664 557824471 /nfs/dbraw/zinc/82/44/71/557824471.db2.gz WYSLZRLPJINMRB-UHFFFAOYSA-N 0 3 440.578 5.900 40 0 IKABHN C1CCC[C@@H]2CCCN3CC[C@@H](CCCCCC[C@@H]4CCCN5CC[C@@H](CC1)O[C@@H]45)O[C@@H]23 ZINC000014885656 563015079 /nfs/dbraw/zinc/01/50/79/563015079.db2.gz PQYOPBRFUUEHRC-NIVXRMQLSA-N 0 3 446.720 6.335 40 0 IKABHN Cc1cnc(Nc2cccc([C@@H]3CCCN(Cc4c(C)nc5cc(C)ccn54)C3)n2)s1 ZINC000585262678 568873860 /nfs/dbraw/zinc/87/38/60/568873860.db2.gz SCPWBNVNAZZQKU-LJQANCHMSA-N 0 3 432.597 5.234 40 0 IKABHN Cc1cnc(Nc2cccc([C@H]3CCCN(Cc4c(C)nc5c(C)cccn45)C3)n2)s1 ZINC000585262647 568873875 /nfs/dbraw/zinc/87/38/75/568873875.db2.gz OHNLQDUCCABVGU-IBGZPJMESA-N 0 3 432.597 5.234 40 0 IKABHN Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@@H](c2ccccc2)N2CCCCC2)c(C)c1 ZINC000001720315 569082338 /nfs/dbraw/zinc/08/23/38/569082338.db2.gz WMVITKWUIQLBGX-VSGBNLITSA-N 0 3 427.588 6.737 40 0 IKABHN COc1ccccc1[C@H](c1c(C)c(C)sc1NC(=O)c1ccccc1)N1CCCCC1 ZINC000002546482 569097395 /nfs/dbraw/zinc/09/73/95/569097395.db2.gz VSYMACQIDUJEMB-XMMPIXPASA-N 0 3 434.605 6.201 40 0 IKABHN CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCCCC2)cc1 ZINC000002546388 569097407 /nfs/dbraw/zinc/09/74/07/569097407.db2.gz DBZPIAHPFCUAOO-VWLOTQADSA-N 0 3 448.632 6.591 40 0 IKABHN COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCC(C)CC2)c1 ZINC000002589870 569125161 /nfs/dbraw/zinc/12/51/61/569125161.db2.gz CIZCPAGYUCMLFA-RUZDIDTESA-N 0 3 448.632 6.447 40 0 IKABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(CSc4ccccc4)cc3)CC2)c1 ZINC000009063025 569219825 /nfs/dbraw/zinc/21/98/25/569219825.db2.gz KKQHPWIWKHYWKD-UHFFFAOYSA-N 0 3 430.617 6.138 40 0 IKABHN O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(CN2CCCCC2)cc1 ZINC000010370749 569224043 /nfs/dbraw/zinc/22/40/43/569224043.db2.gz VWJNUUOFFAHGEA-UHFFFAOYSA-N 0 3 437.436 5.643 40 0 IKABHN C/C(=C\c1ccccc1)CN1CCC[C@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000019014391 569226122 /nfs/dbraw/zinc/22/61/22/569226122.db2.gz NEXFORKBUORCEF-FFMDSGJWSA-N 0 3 439.603 5.297 40 0 IKABHN CC(C)Oc1ccc(CN2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000019450632 569226709 /nfs/dbraw/zinc/22/67/09/569226709.db2.gz PFRUPJQXTWCCGR-SQJMNOBHSA-N 0 3 449.620 5.314 40 0 IKABHN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c(C)c1C ZINC000019577346 569227228 /nfs/dbraw/zinc/22/72/28/569227228.db2.gz BRZXNEAPIYYDAO-PXDATVDWSA-N 0 3 449.620 5.152 40 0 IKABHN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccc(OC3CCCC3)cc2)C1 ZINC000019702534 569232082 /nfs/dbraw/zinc/23/20/82/569232082.db2.gz HGIYYGSAMWNDFF-IBGZPJMESA-N 0 3 449.620 5.309 40 0 IKABHN CC(C)n1cc(CN2CC[C@@H](c3c4cccnc4sc3C(N)=O)C2)c2ccc(F)cc21 ZINC000019702597 569232194 /nfs/dbraw/zinc/23/21/94/569232194.db2.gz MRKXAGANNUEXDG-OAHLLOKOSA-N 0 3 436.556 5.059 40 0 IKABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@H](c2cc(COc3ccc(C(C)C)cc3)[nH]n2)C1 ZINC000019704294 569233301 /nfs/dbraw/zinc/23/33/01/569233301.db2.gz HGVKFRBLBICYBS-QFIPXVFZSA-N 0 3 435.616 5.496 40 0 IKABHN CCN(Cc1c(C)nn(CC)c1C)[C@H]1CCO[C@@H](c2ccccc2-c2ccc(OC)cc2)C1 ZINC000019711914 569235034 /nfs/dbraw/zinc/23/50/34/569235034.db2.gz JPKGKUJREIHRMV-NEKDWFFYSA-N 0 3 447.623 5.938 40 0 IKABHN COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1ccccc1)N2Cc1ccccc1 ZINC000245227100 569269415 /nfs/dbraw/zinc/26/94/15/569269415.db2.gz ABUKBCAATVFRLI-TXKDVJNZSA-N 0 3 427.544 5.441 40 0 IKABHN CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(Cc2ccccn2)CC1 ZINC000257201020 569275420 /nfs/dbraw/zinc/27/54/20/569275420.db2.gz AFVNNCIXEZEVQU-UHFFFAOYSA-N 0 3 433.621 5.160 40 0 IKABHN Cc1[nH]c2ccc(F)cc2c1CN1CCC[C@@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 ZINC000257201846 569275603 /nfs/dbraw/zinc/27/56/03/569275603.db2.gz AJGQIDPSXIWJID-LJQANCHMSA-N 0 3 449.520 6.259 40 0 IKABHN Fc1ccccc1O[C@@H]1COC2(C1)CCN(Cc1ccccc1OCc1ccccn1)CC2 ZINC000257201123 569275631 /nfs/dbraw/zinc/27/56/31/569275631.db2.gz AGJNXQNNXDLZEK-QHCPKHFHSA-N 0 3 448.538 5.002 40 0 IKABHN COc1cccc2ccc(CN3CCC(c4ccc(Cc5ccc(F)cc5)cn4)CC3)nc21 ZINC000257203368 569275646 /nfs/dbraw/zinc/27/56/46/569275646.db2.gz APRPCUVCWCSWAU-UHFFFAOYSA-N 0 3 441.550 5.748 40 0 IKABHN CC(C)(C)CN[C@@H](C[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257205388 569275784 /nfs/dbraw/zinc/27/57/84/569275784.db2.gz AYUBXWZGDHGGBS-CVDCTZTESA-N 0 3 434.455 6.510 40 0 IKABHN Cc1cccc(CN2CCC[C@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)c1 ZINC000257210095 569275920 /nfs/dbraw/zinc/27/59/20/569275920.db2.gz BTCVWEADEOBJML-QFIPXVFZSA-N 0 3 446.570 5.102 40 0 IKABHN Fc1ccccc1CN1CCC(c2cc(Nc3ccccc3)nc(-c3cnccn3)n2)CC1 ZINC000257214752 569276041 /nfs/dbraw/zinc/27/60/41/569276041.db2.gz CNHTWGFVOQOTQV-UHFFFAOYSA-N 0 3 440.526 5.196 40 0 IKABHN COc1ccccc1-c1cccc(CC2(C(=O)N[C@@H](C)CN3CCCC3)CCCCC2)c1 ZINC000257217085 569276049 /nfs/dbraw/zinc/27/60/49/569276049.db2.gz CXJCENKXMUBNLV-QFIPXVFZSA-N 0 3 434.624 5.456 40 0 IKABHN Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCN4CCCC[C@H]4C)CCOCC3)c2)c1 ZINC000257218712 569276139 /nfs/dbraw/zinc/27/61/39/569276139.db2.gz DEEYZDQDISGNMV-XMMPIXPASA-N 0 3 448.651 5.300 40 0 IKABHN Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCN4CCC(C)CC4)CCOCC3)c2)c1 ZINC000257225274 569276369 /nfs/dbraw/zinc/27/63/69/569276369.db2.gz FFODCUBMMYRGJZ-UHFFFAOYSA-N 0 3 448.651 5.158 40 0 IKABHN Cc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CCN(Cc3ccncc3)CC2)c1 ZINC000257234366 569276674 /nfs/dbraw/zinc/27/66/74/569276674.db2.gz GTFOFQQMDDQCLE-UHFFFAOYSA-N 0 3 441.619 5.407 40 0 IKABHN CC(=O)N1CC[C@@H]2[C@@H](C1)CCCCN2Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000257237652 569276772 /nfs/dbraw/zinc/27/67/72/569276772.db2.gz HHMKTIZQKDXZFR-ZJSXRUAMSA-N 0 3 426.988 5.142 40 0 IKABHN CCNc1nc(C)c(C(=O)N2CC[C@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)s1 ZINC000257239661 569276814 /nfs/dbraw/zinc/27/68/14/569276814.db2.gz HQHFNMMTOYPCAN-INIZCTEOSA-N 0 3 439.560 5.099 40 0 IKABHN CC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2ccccn2)CC1 ZINC000257244512 569276857 /nfs/dbraw/zinc/27/68/57/569276857.db2.gz ILRCIZOSLLHLBQ-UHFFFAOYSA-N 0 3 445.582 5.237 40 0 IKABHN O=C(c1cccs1)N1CC[C@H]2[C@@H](C1)[C@H](c1cccc(F)c1F)CN2Cc1ccccc1 ZINC000257241355 569276923 /nfs/dbraw/zinc/27/69/23/569276923.db2.gz HXTQQUKIPOJMOB-ONTIZHBOSA-N 0 3 438.543 5.157 40 0 IKABHN Cn1cc(CN2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)c2cc(F)ccc21 ZINC000257279035 569277875 /nfs/dbraw/zinc/27/78/75/569277875.db2.gz OESSJVYMUDANPL-UHFFFAOYSA-N 0 3 447.985 6.336 40 0 IKABHN COc1cccc(Cc2ccc([C@H]3CCCN(Cc4cn(C)c5ccc(F)cc45)C3)nc2)c1 ZINC000257296208 569278342 /nfs/dbraw/zinc/27/83/42/569278342.db2.gz RBSBXPPBZSSJIS-QFIPXVFZSA-N 0 3 443.566 5.691 40 0 IKABHN O=C1CCC[C@]2(CN(Cc3cccc(-c4ccccc4F)c3)C[C@H]2c2ccccc2F)N1 ZINC000257295309 569278357 /nfs/dbraw/zinc/27/83/57/569278357.db2.gz QXUZUYHECOKGAQ-WNCULLNHSA-N 0 3 432.514 5.270 40 0 IKABHN O=C(c1ccccc1CN1CCCCC1)N1CCC[C@H]1c1ccnc(-c2ccccc2)n1 ZINC000257300325 569278523 /nfs/dbraw/zinc/27/85/23/569278523.db2.gz RTVIQVRDUKRGCL-VWLOTQADSA-N 0 3 426.564 5.107 40 0 IKABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4ccc5ncccc5c4)C3)c2)c1 ZINC000257307261 569278639 /nfs/dbraw/zinc/27/86/39/569278639.db2.gz SXXDHPAIEAISST-OAQYLSRUSA-N 0 3 438.531 5.320 40 0 IKABHN CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccncc2)CC1 ZINC000257306094 569278744 /nfs/dbraw/zinc/27/87/44/569278744.db2.gz SSWYLCSDHPCXHK-UHFFFAOYSA-N 0 3 427.592 5.100 40 0 IKABHN Fc1ccc(O[C@H]2COC3(C2)CCN(Cc2cccc(OCc4ccccn4)c2)CC3)cc1 ZINC000257308686 569278842 /nfs/dbraw/zinc/27/88/42/569278842.db2.gz TXSKUEWEAPFONE-AREMUKBSSA-N 0 3 448.538 5.002 40 0 IKABHN Cc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)CCc4cc(OC(C)C)no4)C3)c2)cc1 ZINC000257314864 569279001 /nfs/dbraw/zinc/27/90/01/569279001.db2.gz UYVTWFPSXONPCR-FQEVSTJZSA-N 0 3 448.567 5.166 40 0 IKABHN CCn1cc(CN2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c(C)n1 ZINC000257324003 569279241 /nfs/dbraw/zinc/27/92/41/569279241.db2.gz WMTSZFUIGKJVSD-NRFANRHFSA-N 0 3 442.529 5.596 40 0 IKABHN CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)cc1 ZINC000257327463 569279459 /nfs/dbraw/zinc/27/94/59/569279459.db2.gz XBLLARWDERKNQG-FQEVSTJZSA-N 0 3 446.526 5.251 40 0 IKABHN CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cn(C)c3cc(F)ccc23)C1 ZINC000257340570 569279811 /nfs/dbraw/zinc/27/98/11/569279811.db2.gz ZGSNDKLNLIDRLV-QGZVFWFLSA-N 0 3 449.595 5.660 40 0 IKABHN Cc1[nH]c2ccc(F)cc2c1CN1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257344542 569279977 /nfs/dbraw/zinc/27/99/77/569279977.db2.gz ZXSOYQJKBVJANC-OAQYLSRUSA-N 0 3 431.530 6.120 40 0 IKABHN CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000260949467 569282052 /nfs/dbraw/zinc/28/20/52/569282052.db2.gz XFEFREDSUKETQO-ZCYQVOJMSA-N 0 3 425.016 5.698 40 0 IKABHN CCCCCCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000009041949 569293147 /nfs/dbraw/zinc/29/31/47/569293147.db2.gz IOJSASXMHFMQDT-MQQADFIWSA-N 0 3 434.451 7.353 40 0 IKABHN O=C1[C@H](C2CCN(Cc3ccc4ncccc4c3)CC2)CC=CCN1Cc1ccccc1 ZINC000019698509 569326955 /nfs/dbraw/zinc/32/69/55/569326955.db2.gz NDDQBASKISVIQB-SANMLTNESA-N 0 3 425.576 5.052 40 0 IKABHN CC(C)(CO)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000022074134 519280523 /nfs/dbraw/zinc/28/05/23/519280523.db2.gz BUTBJGAUDIZRNU-UHFFFAOYSA-N 0 3 433.173 5.195 40 0 IKABHN CCOc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000022076723 520722184 /nfs/dbraw/zinc/72/21/84/520722184.db2.gz OQWKTSAMHOWURI-UHFFFAOYSA-N 0 3 430.375 6.569 40 0 IKABHN CCOc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000022074150 520729413 /nfs/dbraw/zinc/72/94/13/520729413.db2.gz SUMIOHNHGAUQCP-KRWDZBQOSA-N 0 3 430.375 6.822 40 0 IKABHN CCOc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000022074152 520730515 /nfs/dbraw/zinc/73/05/15/520730515.db2.gz SUMIOHNHGAUQCP-QGZVFWFLSA-N 0 3 430.375 6.822 40 0 IKABHN Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2CCCCC2)c(C)c1 ZINC000001720314 524244816 /nfs/dbraw/zinc/24/48/16/524244816.db2.gz WMVITKWUIQLBGX-IZLXSDGUSA-N 0 3 427.588 6.737 40 0 IKABHN C[C@H]1[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)C1(O)c1ccc(F)cc1 ZINC000036006802 525092171 /nfs/dbraw/zinc/09/21/71/525092171.db2.gz CRQSSISIXUBQTB-TWJSWXTQSA-N 0 3 444.377 6.678 40 0 IKABHN Clc1ccc(COc2ccc(Br)cc2CNC2CCCC2)c(Cl)c1 ZINC000022074259 526949923 /nfs/dbraw/zinc/94/99/23/526949923.db2.gz IJVHBCGCICOVIM-UHFFFAOYSA-N 0 3 429.185 6.367 40 0 IKABHN FC(F)(F)c1ccc2c(c1)N(CCCN1CCN(C3CC3)CC1)c1ccccc1S2 ZINC000022463171 527684442 /nfs/dbraw/zinc/68/44/42/527684442.db2.gz NPYDSZQCCSLZPP-UHFFFAOYSA-N 0 3 433.543 5.478 40 0 in-man IKABHN O=C(OCCN1CCCC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000000537734 555510314 /nfs/dbraw/zinc/51/03/14/555510314.db2.gz DQOYUDHAZMAVLD-UHFFFAOYSA-N 0 3 429.442 5.250 40 0 in-man IKABHN C(=C\CN(Cc1ccccc1)Cc1ccccc1)\CN(Cc1ccccc1)Cc1ccccc1 ZINC000004692022 556006311 /nfs/dbraw/zinc/00/63/11/556006311.db2.gz DROKKWZETPKKGN-YPKPFQOOSA-N 0 3 446.638 6.947 40 0 IKABHN CCCCSc1ccc(C(SCCN(C)C)c2ccc(SCCCC)cc2)cc1 ZINC000004895975 556018282 /nfs/dbraw/zinc/01/82/82/556018282.db2.gz OISBUMLGWWDWJH-UHFFFAOYSA-N 0 3 447.779 7.855 40 0 IKABHN O[C@H](CN1CCCCC1)CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000005394920 556050209 /nfs/dbraw/zinc/05/02/09/556050209.db2.gz WEOJIUMBVVUGJJ-KCWPFWIISA-N 0 3 435.656 5.229 40 0 IKABHN C[C@H]1[C@]2(c3ccccc3)[C@@H](c3ccccc3)N[C@@H](C(=O)c3ccccc3)[C@]12c1ccccc1 ZINC000005706567 556063184 /nfs/dbraw/zinc/06/31/84/556063184.db2.gz JNDUYIVFABWMIF-NBBQLPJFSA-N 0 3 429.563 6.108 40 0 IKABHN N[C@H](CCCCCCCCCCCC[C@@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000005759564 556064939 /nfs/dbraw/zinc/06/49/39/556064939.db2.gz YITBJFFBJDRKLW-CLJLJLNGSA-N 0 3 436.640 6.088 40 0 IKABHN COc1ccc([C@@H](CN(C)C(C)C)OC(=O)C(c2ccccc2)c2ccccc2)cc1OC ZINC000008612742 556192009 /nfs/dbraw/zinc/19/20/09/556192009.db2.gz VNXGWXHCHMZQTK-AREMUKBSSA-N 0 3 447.575 5.460 40 0 IKABHN COc1ccc2c(c1)N[C@]1(COC3(C1)CCN(Cc1ccccc1Cl)CC3)c1cccn1-2 ZINC000012086187 556399651 /nfs/dbraw/zinc/39/96/51/556399651.db2.gz ZDKYNBCYHBXLSO-AREMUKBSSA-N 0 3 449.982 5.215 40 0 IKABHN COc1ccc2c(c1)N[C@@]1(COC3(C1)CCN(Cc1ccc(Cl)cc1)CC3)c1cccn1-2 ZINC000012086182 556399731 /nfs/dbraw/zinc/39/97/31/556399731.db2.gz JVTBQWAGANESSB-SANMLTNESA-N 0 3 449.982 5.215 40 0 IKABHN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000039763870 556436768 /nfs/dbraw/zinc/43/67/68/556436768.db2.gz HASUHPXXNRRHET-UHFFFAOYSA-N 0 3 432.951 5.422 40 0 IKABHN O=C(NCCSCc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1 ZINC000039767892 556437025 /nfs/dbraw/zinc/43/70/25/556437025.db2.gz LONKHGFPEMIEIB-UHFFFAOYSA-N 0 3 437.436 5.255 40 0 IKABHN O=C(NCCSCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2)CC1 ZINC000039767903 556437345 /nfs/dbraw/zinc/43/73/45/556437345.db2.gz PLPJFPLMIBITGG-UHFFFAOYSA-N 0 3 437.436 5.255 40 0 IKABHN CCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)ccc21 ZINC000039768128 556437372 /nfs/dbraw/zinc/43/73/72/556437372.db2.gz OIKOXESUJCLDNC-UHFFFAOYSA-N 0 3 429.539 5.804 40 0 IKABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(CSc4ccccc4)cc3C)CC2)c1 ZINC000039750647 556438374 /nfs/dbraw/zinc/43/83/74/556438374.db2.gz ZETYMMGDVFCNJJ-UHFFFAOYSA-N 0 3 444.644 6.446 40 0 IKABHN CCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4cccc(C)c4)CC3)ccc21 ZINC000039751658 556438701 /nfs/dbraw/zinc/43/87/01/556438701.db2.gz VPNLPJMRTZYPCR-UHFFFAOYSA-N 0 3 425.576 5.974 40 0 IKABHN O=C(c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000015017501 556486443 /nfs/dbraw/zinc/48/64/43/556486443.db2.gz AUYNEYDHGNEHLB-XRKRLSELSA-N 0 3 438.571 5.408 40 0 IKABHN O=C(c1c[nH]c2ccccc12)[C@H](O)[C@H](c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000015017499 556486557 /nfs/dbraw/zinc/48/65/57/556486557.db2.gz AUYNEYDHGNEHLB-LMSSTIIKSA-N 0 3 438.571 5.408 40 0 IKABHN Cc1cc2c(cc1Br)C(=O)[C@@](CN1CCCCC1)(Sc1ccccc1)CO2 ZINC000015229087 556512683 /nfs/dbraw/zinc/51/26/83/556512683.db2.gz VLKXHQUBUFTLAX-QFIPXVFZSA-N 0 3 446.410 5.350 40 0 IKABHN Cc1cc2c(cc1Br)C(=O)[C@](CN1CCCCC1)(Sc1ccccc1)CO2 ZINC000015229086 556512719 /nfs/dbraw/zinc/51/27/19/556512719.db2.gz VLKXHQUBUFTLAX-JOCHJYFZSA-N 0 3 446.410 5.350 40 0 IKABHN O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000030937886 556515509 /nfs/dbraw/zinc/51/55/09/556515509.db2.gz LBGAWUXGEQAOII-HXUWFJFHSA-N 0 3 437.008 6.342 40 0 IKABHN CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000030943328 556516540 /nfs/dbraw/zinc/51/65/40/556516540.db2.gz POMHTLROKNOQMD-FQEVSTJZSA-N 0 3 428.960 5.148 40 0 IKABHN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000030943148 556516638 /nfs/dbraw/zinc/51/66/38/556516638.db2.gz YIDYTNLZSCERGY-NRFANRHFSA-N 0 3 432.951 5.422 40 0 IKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2)CC1 ZINC000030943264 556516650 /nfs/dbraw/zinc/51/66/50/556516650.db2.gz LBFLBKIWXXZBNQ-UHFFFAOYSA-N 0 3 446.978 6.055 40 0 IKABHN CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)ccc21 ZINC000030945293 556516968 /nfs/dbraw/zinc/51/69/68/556516968.db2.gz NJVMFLNXVFSBEC-HXUWFJFHSA-N 0 3 429.539 5.804 40 0 IKABHN COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000016196255 556590464 /nfs/dbraw/zinc/59/04/64/556590464.db2.gz WZYCDHQOAOPQRI-NRFANRHFSA-N 0 3 432.347 5.404 40 0 IKABHN COc1ccc(CCNCc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000016216624 556591920 /nfs/dbraw/zinc/59/19/20/556591920.db2.gz XTTPSJMWISHYLG-UHFFFAOYSA-N 0 3 444.344 5.508 40 0 IKABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1C ZINC000100846765 556597347 /nfs/dbraw/zinc/59/73/47/556597347.db2.gz JTNIFZSWZPIHRK-VJBWXMMDSA-N 0 3 432.907 5.008 40 0 IKABHN Cc1ccc(S[C@]2(CN3CCCC3)COc3cc(C)c(Br)cc3C2=O)cc1 ZINC000016310879 556599653 /nfs/dbraw/zinc/59/96/53/556599653.db2.gz GFOGTZCJSFXEIJ-JOCHJYFZSA-N 0 3 446.410 5.268 40 0 IKABHN Fc1ccc(CCNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000016401413 556606088 /nfs/dbraw/zinc/60/60/88/556606088.db2.gz WRCWTJRAPKSSFR-UHFFFAOYSA-N 0 3 438.757 6.697 40 0 IKABHN Clc1ccc(OCc2ccccc2Cl)c(CNCCc2c[nH]c3ccccc23)c1 ZINC000016449989 556609165 /nfs/dbraw/zinc/60/91/65/556609165.db2.gz NKVUQBYJQZKXBC-UHFFFAOYSA-N 0 3 425.359 6.386 40 0 IKABHN Fc1ccc(CCNCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000016449992 556609216 /nfs/dbraw/zinc/60/92/16/556609216.db2.gz FOYNCRYUJTYKRN-UHFFFAOYSA-N 0 3 448.763 6.153 40 0 IKABHN Fc1ccc(CNCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)cc1 ZINC000016525977 556614437 /nfs/dbraw/zinc/61/44/37/556614437.db2.gz LPBMOZIQDVFGEO-UHFFFAOYSA-N 0 3 440.345 7.155 40 0 IKABHN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038850546 556624382 /nfs/dbraw/zinc/62/43/82/556624382.db2.gz BZCTXVUBCYKPKD-AWEZNQCLSA-N 0 3 431.285 5.863 40 0 IKABHN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038850548 556624404 /nfs/dbraw/zinc/62/44/04/556624404.db2.gz BZCTXVUBCYKPKD-CQSZACIVSA-N 0 3 431.285 5.863 40 0 IKABHN O=C(Nc1ccc(CSc2ccccc2)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038851456 556625059 /nfs/dbraw/zinc/62/50/59/556625059.db2.gz XLRUHJRCYFGDHK-QFIPXVFZSA-N 0 3 434.580 5.969 40 0 IKABHN CCOc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688567 556626669 /nfs/dbraw/zinc/62/66/69/556626669.db2.gz SKKPWNNQUMJUMM-KRWDZBQOSA-N 0 3 444.786 5.893 40 0 IKABHN CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016688684 556626702 /nfs/dbraw/zinc/62/67/02/556626702.db2.gz MYMYIXPUYLISFR-QFIPXVFZSA-N 0 3 446.374 5.794 40 0 IKABHN CCOc1cc(CNCc2cccs2)cc(Br)c1OCc1ccccc1 ZINC000016688625 556626733 /nfs/dbraw/zinc/62/67/33/556626733.db2.gz MAFVEDBRQRIDBT-UHFFFAOYSA-N 0 3 432.383 5.778 40 0 IKABHN CC(C)Oc1cccc(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000044916254 556681646 /nfs/dbraw/zinc/68/16/46/556681646.db2.gz IEXKPGQSYYSASE-UHFFFAOYSA-N 0 3 442.603 5.395 40 0 IKABHN CC(C)Oc1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044916364 556681667 /nfs/dbraw/zinc/68/16/67/556681667.db2.gz WGRBZNSFEIIPEG-QFIPXVFZSA-N 0 3 429.004 5.088 40 0 IKABHN COc1ccc([C@H](CC(C)C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044937096 556683039 /nfs/dbraw/zinc/68/30/39/556683039.db2.gz RSIAANWTGKPVES-QPPBQGQZSA-N 0 3 429.004 5.464 40 0 IKABHN CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 ZINC000019081963 556696791 /nfs/dbraw/zinc/69/67/91/556696791.db2.gz QSUNDQZKZQFYRI-GJZUVCINSA-N 0 3 449.639 5.519 40 0 IKABHN COc1cc2c(cc1CN1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCCC2 ZINC000019081839 556696877 /nfs/dbraw/zinc/69/68/77/556696877.db2.gz NPLWUADKUOXYNA-ATIYNZHBSA-N 0 3 449.639 5.085 40 0 IKABHN CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000019082037 556696985 /nfs/dbraw/zinc/69/69/85/556696985.db2.gz ZMJZIXQAQHAMPH-SANMLTNESA-N 0 3 449.639 5.519 40 0 IKABHN CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000019082078 556697068 /nfs/dbraw/zinc/69/70/68/556697068.db2.gz RHVZZTODTOPOSR-SANMLTNESA-N 0 3 449.639 5.519 40 0 IKABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1C ZINC000013564559 556697647 /nfs/dbraw/zinc/69/76/47/556697647.db2.gz JTNIFZSWZPIHRK-VABKMULXSA-N 0 3 432.907 5.008 40 0 IKABHN Cc1cc(C[C@@H]2CCC[C@H]2N(Cc2ccncc2)Cc2ccc(Cl)c(Cl)c2)on1 ZINC000019120473 556700850 /nfs/dbraw/zinc/70/08/50/556700850.db2.gz ABAMZDGAFDKDBE-WMZHIEFXSA-N 0 3 430.379 6.098 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000013617721 556704152 /nfs/dbraw/zinc/70/41/52/556704152.db2.gz IBKYNEFOMSOAHD-HKBOAZHASA-N 0 3 439.298 5.045 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000013749038 556725199 /nfs/dbraw/zinc/72/51/99/556725199.db2.gz GWFDKPXTLMKEHJ-ZJOUEHCJSA-N 0 3 439.298 5.045 40 0 IKABHN Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000019294086 556733728 /nfs/dbraw/zinc/73/37/28/556733728.db2.gz ZNKGKJFHYMBIOU-NRFANRHFSA-N 0 3 440.526 5.196 40 0 IKABHN Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000019294080 556733826 /nfs/dbraw/zinc/73/38/26/556733826.db2.gz OGAWKTOIIYBTRF-OAQYLSRUSA-N 0 3 440.526 5.196 40 0 IKABHN O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000019370896 556748441 /nfs/dbraw/zinc/74/84/41/556748441.db2.gz ISODBYSWWKPDCB-YIXXDRMTSA-N 0 3 448.010 5.437 40 0 IKABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2cn(C(C)C)c3cc(F)ccc23)CC1 ZINC000019454771 556764927 /nfs/dbraw/zinc/76/49/27/556764927.db2.gz NNTKWZGYPCAFQU-UHFFFAOYSA-N 0 3 425.523 5.128 40 0 IKABHN CC(=O)NC1(c2ccccc2F)CCN(Cc2cn(C(C)C)c3cc(F)ccc23)CC1 ZINC000019454773 556765020 /nfs/dbraw/zinc/76/50/20/556765020.db2.gz XFFCDLDCZKVJGT-UHFFFAOYSA-N 0 3 425.523 5.128 40 0 IKABHN c1coc(Cn2c(COc3ccc4ccccc4c3)nnc2SCCN2CCCCC2)c1 ZINC000001356286 556782870 /nfs/dbraw/zinc/78/28/70/556782870.db2.gz UZCRWNJHQGVTBY-UHFFFAOYSA-N 0 3 448.592 5.230 40 0 IKABHN CCOc1cc(CN2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)ccc1OC ZINC000019531966 556792390 /nfs/dbraw/zinc/79/23/90/556792390.db2.gz DWZPCKDIPKAXEQ-MRXNPFEDSA-N 0 3 449.473 5.337 40 0 IKABHN CCOc1ccc(CN2CCC(c3noc4nc(C)cc(C(F)(F)F)c43)CC2)cc1OC ZINC000019533746 556793634 /nfs/dbraw/zinc/79/36/34/556793634.db2.gz MISGKERIUTVARS-UHFFFAOYSA-N 0 3 449.473 5.337 40 0 IKABHN CCN(CC)C[C@]1(Sc2ccc(C)cc2)COc2cc(C)c(Br)cc2C1=O ZINC000019596861 556831081 /nfs/dbraw/zinc/83/10/81/556831081.db2.gz JWYHPAKRJMAQAT-QFIPXVFZSA-N 0 3 448.426 5.514 40 0 IKABHN COc1cccc(Cc2ccc([C@@H]3CCCN(Cc4c(C)nn(C(C)C)c4C)C3)nc2)c1 ZINC000019690229 556845636 /nfs/dbraw/zinc/84/56/36/556845636.db2.gz GEOHUZFSKXDHOM-XMMPIXPASA-N 0 3 432.612 5.455 40 0 IKABHN COCCn1c(C)c(CN2CCC[C@H]2c2cc(-c3cn[nH]c3)cc(C)n2)c2ccccc21 ZINC000019690840 556846586 /nfs/dbraw/zinc/84/65/86/556846586.db2.gz HBJSYBFHZATJEJ-SANMLTNESA-N 0 3 429.568 5.027 40 0 IKABHN COCCn1c(C)c(CN2CCC[C@@H]2c2cc(-c3cn[nH]c3)cc(C)n2)c2ccccc21 ZINC000019690839 556846637 /nfs/dbraw/zinc/84/66/37/556846637.db2.gz HBJSYBFHZATJEJ-AREMUKBSSA-N 0 3 429.568 5.027 40 0 IKABHN O[C@H](CN(Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1)c1ccccc1 ZINC000068605824 556849016 /nfs/dbraw/zinc/84/90/16/556849016.db2.gz NBRSKIIOJFTWJD-WJOKGBTCSA-N 0 3 446.594 6.425 40 0 IKABHN Fc1ccc(OCCc2cc([C@@H]3CCCN3Cc3ccnc4ccccc34)n[nH]2)cc1F ZINC000019703711 556862203 /nfs/dbraw/zinc/86/22/03/556862203.db2.gz FMTDBZYWPPVGMA-VWLOTQADSA-N 0 3 434.490 5.195 40 0 IKABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 ZINC000019761756 556905240 /nfs/dbraw/zinc/90/52/40/556905240.db2.gz NZTQROPGBPFJIT-NRFANRHFSA-N 0 3 447.627 5.004 40 0 IKABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c(C)c1C ZINC000072330430 556905510 /nfs/dbraw/zinc/90/55/10/556905510.db2.gz BRZXNEAPIYYDAO-OFVILXPXSA-N 0 3 449.620 5.152 40 0 IKABHN COc1c(C)cccc1CN1CCC[C@H]([C@H](NC(=O)c2ccccc2C)c2ccccn2)C1 ZINC000072330497 556906166 /nfs/dbraw/zinc/90/61/66/556906166.db2.gz OMCGVHHFEZRBJQ-NVQXNPDNSA-N 0 3 443.591 5.090 40 0 IKABHN O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000072330554 556906689 /nfs/dbraw/zinc/90/66/89/556906689.db2.gz ISODBYSWWKPDCB-KCWPFWIISA-N 0 3 448.010 5.437 40 0 IKABHN Cc1nc(C2CCN(Cc3ccc4[nH]ccc4c3)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019766293 556911249 /nfs/dbraw/zinc/91/12/49/556911249.db2.gz AOAAXFTVDGEDQS-UHFFFAOYSA-N 0 3 443.526 5.037 40 0 IKABHN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccc(OC)c(OC(C)C)c2)C1 ZINC000072352303 556923802 /nfs/dbraw/zinc/92/38/02/556923802.db2.gz ATWYGXQTWXFZGM-GOSISDBHSA-N 0 3 438.593 5.046 40 0 IKABHN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc(OC)c(OC(C)C)c2)C1 ZINC000072352302 556923922 /nfs/dbraw/zinc/92/39/22/556923922.db2.gz ATWYGXQTWXFZGM-SFHVURJKSA-N 0 3 438.593 5.046 40 0 IKABHN COc1ccc(CN2CCC[C@H]2c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000072354591 556929869 /nfs/dbraw/zinc/92/98/69/556929869.db2.gz KMPZGCHNYVPICN-FQEVSTJZSA-N 0 3 428.458 5.090 40 0 IKABHN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1cnc(C(C)C)nc1 ZINC000072370688 556935959 /nfs/dbraw/zinc/93/59/59/556935959.db2.gz QYNZADJDQJERNI-IBGZPJMESA-N 0 3 436.625 5.162 40 0 IKABHN COCc1ccc(OC)c(CN2CCC[C@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)c1 ZINC000072372704 556943764 /nfs/dbraw/zinc/94/37/64/556943764.db2.gz CUHHQODFCCBGAR-DEOSSOPVSA-N 0 3 447.583 5.033 40 0 IKABHN O=C(CC1C(=O)N(CCC2=CCCCC2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019962053 556955597 /nfs/dbraw/zinc/95/55/97/556955597.db2.gz YTCACZRTMDGIBQ-JOCHJYFZSA-N 0 3 448.954 5.497 40 0 IKABHN Cc1ccc([C@@H](NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c2ccccc2)cc1 ZINC000020035412 556970017 /nfs/dbraw/zinc/97/00/17/556970017.db2.gz NDPPXKBFISRLEP-PMERELPUSA-N 0 3 446.594 6.073 40 0 IKABHN Cc1c(CN2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)oc2ccc(C)cc12 ZINC000072398618 556970291 /nfs/dbraw/zinc/97/02/91/556970291.db2.gz ZNZQAZSAOJYLLX-CPJSRVTESA-N 0 3 433.596 5.560 40 0 IKABHN CCCCC[C@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000101343530 557123409 /nfs/dbraw/zinc/12/34/09/557123409.db2.gz INXGAHHQCIHNOR-BPYIEZMESA-N 0 3 443.631 6.897 40 0 IKABHN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)c(C)c1 ZINC000102768362 557132675 /nfs/dbraw/zinc/13/26/75/557132675.db2.gz SEPGHCCRPAHPBO-XPWALMASSA-N 0 3 432.907 5.008 40 0 IKABHN O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccs1 ZINC000102717185 557133136 /nfs/dbraw/zinc/13/31/36/557133136.db2.gz QNLQEZCOMBQHPE-OTWHNJEPSA-N 0 3 445.327 5.106 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102717185 557133140 /nfs/dbraw/zinc/13/31/40/557133140.db2.gz QNLQEZCOMBQHPE-OTWHNJEPSA-N 0 3 445.327 5.106 40 0 IKABHN CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccc(C)s3)CC2)Oc2ccccc21 ZINC000096053470 557166738 /nfs/dbraw/zinc/16/67/38/557166738.db2.gz IDXGAJRDHXWCIQ-HXUWFJFHSA-N 0 3 426.626 5.216 40 0 IKABHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Br)c1OCc1cccnc1 ZINC000022076917 557173676 /nfs/dbraw/zinc/17/36/76/557173676.db2.gz LNOXNNOXPWBLGL-INIZCTEOSA-N 0 3 427.342 5.283 40 0 IKABHN Cc1c(Cl)cccc1NC(=[NH2+])Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000009938553 557194159 /nfs/dbraw/zinc/19/41/59/557194159.db2.gz IOVOKPCGZFAKQF-UHFFFAOYSA-N 0 3 434.352 5.136 40 0 IKABHN Cc1cc(C)c(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)c1 ZINC000219960265 557272268 /nfs/dbraw/zinc/27/22/68/557272268.db2.gz IRYVMKIIQSEOOK-UHFFFAOYSA-N 0 3 426.604 6.319 40 0 IKABHN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1C ZINC000219963107 557272644 /nfs/dbraw/zinc/27/26/44/557272644.db2.gz OZRDIUJSOBGOAH-DEOSSOPVSA-N 0 3 440.631 6.249 40 0 IKABHN Cc1ccc(CCCNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000219962430 557272680 /nfs/dbraw/zinc/27/26/80/557272680.db2.gz ZNWKLKUSBKWTBP-UHFFFAOYSA-N 0 3 440.631 5.812 40 0 IKABHN COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)[C@@H](C)C(O)(Cc3ccccc3)[C@H]2C)cc1 ZINC000102710823 557305936 /nfs/dbraw/zinc/30/59/36/557305936.db2.gz BTUTYNXWDXRDAN-GLWFCPOZSA-N 0 3 431.576 5.335 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102736696 557306833 /nfs/dbraw/zinc/30/68/33/557306833.db2.gz QDBHHIFPYJLHRN-ACRUOGEOSA-N 0 3 439.298 5.045 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000102752124 557307083 /nfs/dbraw/zinc/30/70/83/557307083.db2.gz GCVWRKJCELMRCW-WDSOQIARSA-N 0 3 445.327 5.106 40 0 IKABHN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1)C1CCCC1 ZINC000072215588 557342252 /nfs/dbraw/zinc/34/22/52/557342252.db2.gz KXFUMLGRZSUDOC-DEOSSOPVSA-N 0 3 435.612 6.493 40 0 IKABHN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072215791 557342575 /nfs/dbraw/zinc/34/25/75/557342575.db2.gz WTHVZZBIDYHXQQ-DEOSSOPVSA-N 0 3 429.564 6.492 40 0 IKABHN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1)C1CCCCC1 ZINC000072215671 557342669 /nfs/dbraw/zinc/34/26/69/557342669.db2.gz KXOBNANCGZVSSZ-DEOSSOPVSA-N 0 3 435.612 6.493 40 0 IKABHN CC(C)NC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccncc2)CC1 ZINC000072345106 557377382 /nfs/dbraw/zinc/37/73/82/557377382.db2.gz FZLMKSBRMJKNRY-UHFFFAOYSA-N 0 3 427.592 5.098 40 0 IKABHN CN1CCC(Oc2ccc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000222734610 557381188 /nfs/dbraw/zinc/38/11/88/557381188.db2.gz AASMPIVCMAUCHE-UHFFFAOYSA-N 0 3 439.408 5.338 40 0 IKABHN COC(=O)c1cccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000113958638 557381699 /nfs/dbraw/zinc/38/16/99/557381699.db2.gz RRDRKQRGKXJZFX-UHFFFAOYSA-N 0 3 442.559 5.180 40 0 IKABHN C[C@@H](NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(F)cc1 ZINC000113958912 557381841 /nfs/dbraw/zinc/38/18/41/557381841.db2.gz FOROABYTDVLMHS-OAQYLSRUSA-N 0 3 430.567 5.771 40 0 IKABHN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000113958860 557381861 /nfs/dbraw/zinc/38/18/61/557381861.db2.gz FEGIODQEQKCSOY-QHCPKHFHSA-N 0 3 426.604 5.941 40 0 IKABHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000015931500 557466926 /nfs/dbraw/zinc/46/69/26/557466926.db2.gz XKSWRUYYSKZLQA-AZGAKELHSA-N 0 3 446.978 5.676 40 0 IKABHN O=C(NCCOc1ccc2ccccc2c1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223582231 557488682 /nfs/dbraw/zinc/48/86/82/557488682.db2.gz SCQZPGKRRKVZEC-UHFFFAOYSA-N 0 3 436.555 5.207 40 0 IKABHN COc1cccc(C2Nc3ccccc3SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)c1 ZINC000019648199 557505652 /nfs/dbraw/zinc/50/56/52/557505652.db2.gz NKAKSAOYTKQBOL-OAQYLSRUSA-N 0 3 448.931 5.435 40 0 IKABHN COc1cccc(C2Nc3ccccc3SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)c1 ZINC000019648196 557505660 /nfs/dbraw/zinc/50/56/60/557505660.db2.gz NKAKSAOYTKQBOL-NRFANRHFSA-N 0 3 448.931 5.435 40 0 IKABHN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1C ZINC000224259960 557582141 /nfs/dbraw/zinc/58/21/41/557582141.db2.gz GIILFJAXNVQRPR-RPWUZVMVSA-N 0 3 425.561 5.061 40 0 IKABHN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 ZINC000224327422 557592264 /nfs/dbraw/zinc/59/22/64/557592264.db2.gz PTXVWRXNTXWPAH-RPWUZVMVSA-N 0 3 425.561 5.007 40 0 IKABHN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 ZINC000224327372 557592268 /nfs/dbraw/zinc/59/22/68/557592268.db2.gz PTXVWRXNTXWPAH-ZEQRLZLVSA-N 0 3 425.561 5.007 40 0 IKABHN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 ZINC000224327514 557592300 /nfs/dbraw/zinc/59/23/00/557592300.db2.gz PTXVWRXNTXWPAH-DNQXCXABSA-N 0 3 425.561 5.007 40 0 IKABHN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1c1ccc(Cl)cc1 ZINC000224456931 557608355 /nfs/dbraw/zinc/60/83/55/557608355.db2.gz CTVKSMXDDASFJZ-FCHUYYIVSA-N 0 3 431.952 5.098 40 0 IKABHN O=C(NCc1ccccc1CN1CCCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000224807231 557653541 /nfs/dbraw/zinc/65/35/41/557653541.db2.gz RCJGKOOJPJPSIU-LGUFXXKBSA-N 0 3 445.006 6.183 40 0 IKABHN Cc1nc(-c2cccc(NC(=S)NCCNc3cc(C)nc4ccccc43)c2)cs1 ZINC000225218689 557701557 /nfs/dbraw/zinc/70/15/57/557701557.db2.gz HNOPRAJXAYILEZ-UHFFFAOYSA-N 0 3 433.606 5.374 40 0 IKABHN CC1CCN(CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)CC1 ZINC000225523010 557735329 /nfs/dbraw/zinc/73/53/29/557735329.db2.gz DXERIOIWUWVVJV-UHFFFAOYSA-N 0 3 441.015 5.901 40 0 IKABHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000225522919 557735385 /nfs/dbraw/zinc/73/53/85/557735385.db2.gz STIWRECKVJWOHM-UHFFFAOYSA-N 0 3 426.988 5.655 40 0 IKABHN Cc1ccc(CN2CCC(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)CC2)cc1 ZINC000225549665 557740673 /nfs/dbraw/zinc/74/06/73/557740673.db2.gz GPAYOSQYFMUACH-UHFFFAOYSA-N 0 3 426.973 5.018 40 0 IKABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 ZINC000225556179 557741939 /nfs/dbraw/zinc/74/19/39/557741939.db2.gz XYTMALNCOVHBFW-UHFFFAOYSA-N 0 3 435.395 5.774 40 0 IKABHN COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)CCCCC2)cc1 ZINC000225558804 557742383 /nfs/dbraw/zinc/74/23/83/557742383.db2.gz IQSDJKJFIPZQGT-UHFFFAOYSA-N 0 3 436.596 5.401 40 0 IKABHN C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000225903896 557790113 /nfs/dbraw/zinc/79/01/13/557790113.db2.gz XQWZMEHORIKUKF-NVXWUHKLSA-N 0 3 447.804 5.292 40 0 IKABHN COCc1ccc(C(=O)N2CCC[C@@H](c3cc(Nc4ccc(OC)cc4)cc(C)n3)C2)cc1 ZINC000585169164 568873223 /nfs/dbraw/zinc/87/32/23/568873223.db2.gz LGDPWEFXTDDUKT-JOCHJYFZSA-N 0 3 445.563 5.308 40 0 IKABHN CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1ccc(OCCN2CCCCC2)cc1 ZINC000585293285 568874652 /nfs/dbraw/zinc/87/46/52/568874652.db2.gz ZBQHPJCXJXDMCW-YGPDHOBYSA-N 0 3 442.043 6.722 40 0 IKABHN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(F)cc2)N2CCC(C)CC2)c1C ZINC000002546442 569097383 /nfs/dbraw/zinc/09/73/83/569097383.db2.gz QTYSJIAALFEGPV-DEOSSOPVSA-N 0 3 436.596 6.578 40 0 IKABHN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCCCC2)cc1 ZINC000002546361 569097508 /nfs/dbraw/zinc/09/75/08/569097508.db2.gz SAGVWXDNZIIQSR-XMMPIXPASA-N 0 3 434.605 6.201 40 0 IKABHN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063622 569219970 /nfs/dbraw/zinc/21/99/70/569219970.db2.gz BSNZRWRPFBXSQR-UHFFFAOYSA-N 0 3 438.930 6.122 40 0 IKABHN COc1c(C)cccc1CN1CCC[C@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000019235948 569226116 /nfs/dbraw/zinc/22/61/16/569226116.db2.gz YPMYTOKLIJGYTK-BKMJKUGQSA-N 0 3 435.612 5.048 40 0 IKABHN O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(-c3ccccn3)cc2)C1)C1CCC1 ZINC000019402665 569226562 /nfs/dbraw/zinc/22/65/62/569226562.db2.gz NVEUZSABFSVOCN-RPLLCQBOSA-N 0 3 440.591 5.013 40 0 IKABHN CC(C)COc1ccccc1CN1CC[C@@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000019702530 569232093 /nfs/dbraw/zinc/23/20/93/569232093.db2.gz NGUZYUPIUPVIQS-LJQANCHMSA-N 0 3 437.609 5.022 40 0 IKABHN CC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2cccnc2)CC1 ZINC000257201081 569275445 /nfs/dbraw/zinc/27/54/45/569275445.db2.gz AGFFXCCKMVBUJY-UHFFFAOYSA-N 0 3 445.582 5.237 40 0 IKABHN O=C1CCC[C@]2(CN(Cc3cccc(Oc4ccccc4)c3)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000257202607 569275577 /nfs/dbraw/zinc/27/55/77/569275577.db2.gz AMOXDEHFTNDFQK-WNCULLNHSA-N 0 3 448.513 5.395 40 0 IKABHN CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(Cc2ccccn2)CC1 ZINC000257206165 569275770 /nfs/dbraw/zinc/27/57/70/569275770.db2.gz BCDJRSMXYQPKKF-UHFFFAOYSA-N 0 3 445.582 5.237 40 0 IKABHN Cc1cccc(CN2CCC[C@@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)c1 ZINC000257210094 569275885 /nfs/dbraw/zinc/27/58/85/569275885.db2.gz BTCVWEADEOBJML-JOCHJYFZSA-N 0 3 446.570 5.102 40 0 IKABHN CCOc1ccc(COC)cc1CN1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257219147 569276182 /nfs/dbraw/zinc/27/61/82/569276182.db2.gz DFUMHQMTJLBJAV-XMMPIXPASA-N 0 3 448.582 5.736 40 0 IKABHN CCCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2cccnc2)CC1 ZINC000257222809 569276306 /nfs/dbraw/zinc/27/63/06/569276306.db2.gz DUTQJYABUGDWPE-UHFFFAOYSA-N 0 3 445.582 5.239 40 0 IKABHN Cc1nccn1[C@@H]1CCC[C@@H](N(C)Cc2cc(Cl)ccc2OCc2ccccc2)[C@H]1O ZINC000257232037 569276423 /nfs/dbraw/zinc/27/64/23/569276423.db2.gz GJEAUQGQHBVRGW-VDKIKQQVSA-N 0 3 439.987 5.010 40 0 IKABHN O=C1CCC[C@]2(CN(Cc3ccc(Oc4ccccc4)cc3)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000257228739 569276457 /nfs/dbraw/zinc/27/64/57/569276457.db2.gz FVAISXRFJLRWMY-WNCULLNHSA-N 0 3 448.513 5.395 40 0 IKABHN CCn1cc(CN2CCC[C@@H]2c2ccc(Cc3ccc(F)cc3)cn2)c2ccc(F)cc21 ZINC000257240493 569276893 /nfs/dbraw/zinc/27/68/93/569276893.db2.gz HTTBTFYFFDGAFA-AREMUKBSSA-N 0 3 431.530 6.262 40 0 IKABHN CCNc1nc(C)c(C(=O)N2CC[C@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)s1 ZINC000257255053 569277161 /nfs/dbraw/zinc/27/71/61/569277161.db2.gz KFXDQBAPHSUQDC-INIZCTEOSA-N 0 3 439.560 5.099 40 0 IKABHN Cc1nc(Nc2cncc(C3CCN(Cc4cn(C)c5ccccc45)CC3)n2)sc1C ZINC000257251581 569277172 /nfs/dbraw/zinc/27/71/72/569277172.db2.gz JRINAUAIBXKBOJ-UHFFFAOYSA-N 0 3 432.597 5.165 40 0 IKABHN CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccccn2)CC1 ZINC000257250917 569277187 /nfs/dbraw/zinc/27/71/87/569277187.db2.gz JONVHKCNXVUYBP-UHFFFAOYSA-N 0 3 427.592 5.100 40 0 IKABHN Cc1cccc(CN2CCC(Cc3cccc(-c4ccccc4C)c3)(C(=O)N(C)C)CC2)n1 ZINC000257257808 569277302 /nfs/dbraw/zinc/27/73/02/569277302.db2.gz KREJBYLNDPSDQI-UHFFFAOYSA-N 0 3 441.619 5.279 40 0 IKABHN Cc1ccccc1-c1ccc(CN2C[C@@H](c3ccccc3F)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000257261914 569277431 /nfs/dbraw/zinc/27/74/31/569277431.db2.gz LJHXPLUBYRCLKC-LBNVMWSVSA-N 0 3 428.551 5.439 40 0 IKABHN COCc1ccc(C(=O)N2CCC[C@H](c3cc(Nc4cccc(OC)c4)cc(C)n3)C2)cc1 ZINC000257277746 569277841 /nfs/dbraw/zinc/27/78/41/569277841.db2.gz NZETXMPGTQTOMG-QFIPXVFZSA-N 0 3 445.563 5.308 40 0 IKABHN COc1cccc(Cc2ccc([C@@H]3CCCN3Cc3c(C)cc(OC)c(C)c3C)nc2)c1 ZINC000257288441 569278080 /nfs/dbraw/zinc/27/80/80/569278080.db2.gz PUFFEZUMDPVJBC-MHZLTWQESA-N 0 3 430.592 5.952 40 0 IKABHN O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccc(-c4ccccc4)cc3)C2)no1 ZINC000257286182 569278087 /nfs/dbraw/zinc/27/80/87/569278087.db2.gz PKQFCRNCZRHSLT-DEOSSOPVSA-N 0 3 443.591 5.784 40 0 IKABHN CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(Cc2cccc(C)n2)CC1 ZINC000257298265 569278528 /nfs/dbraw/zinc/27/85/28/569278528.db2.gz RKYTVVMERNCTPQ-UHFFFAOYSA-N 0 3 445.582 5.157 40 0 IKABHN CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(Cc2ccccn2)CC1 ZINC000257312689 569278964 /nfs/dbraw/zinc/27/89/64/569278964.db2.gz UPCNHLBJDNNEGF-UHFFFAOYSA-N 0 3 427.592 5.018 40 0 IKABHN COc1ccc(Cc2ccc(C3CCN(Cc4c(C)[nH]c5ccc(F)cc54)CC3)nc2)cc1 ZINC000257318627 569279129 /nfs/dbraw/zinc/27/91/29/569279129.db2.gz VOTHRGWOYHVJRH-UHFFFAOYSA-N 0 3 443.566 5.989 40 0 IKABHN COc1cccc2c1OC1(CCN(Cc3ccc4ncccc4c3)CC1)[C@H]1CCCO[C@H]21 ZINC000257333047 569279523 /nfs/dbraw/zinc/27/95/23/569279523.db2.gz XZWNFLVAANGTGM-WIOPSUGQSA-N 0 3 430.548 5.138 40 0 IKABHN COc1cccc(CN2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c1 ZINC000257340300 569279801 /nfs/dbraw/zinc/27/98/01/569279801.db2.gz ZFKGLDNOSBVOEG-JOCHJYFZSA-N 0 3 440.509 6.079 40 0 IKABHN Cc1cccc(CN2CCC(Cc3ccccc3-c3cccs3)(C(=O)NC(C)C)CC2)n1 ZINC000257342944 569279849 /nfs/dbraw/zinc/27/98/49/569279849.db2.gz ZQRYKLWGHMSXRX-UHFFFAOYSA-N 0 3 447.648 5.468 40 0 IKABHN COc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1C(C)C ZINC000260934919 569282033 /nfs/dbraw/zinc/28/20/33/569282033.db2.gz NLTIXJDTXBSUFV-CTNGQTDRSA-N 0 3 443.031 5.870 40 0 IKABHN CCCCCCC1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000009272005 569294953 /nfs/dbraw/zinc/29/49/53/569294953.db2.gz IOJSASXMHFMQDT-IJYKJPCMSA-N 0 3 434.451 7.353 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000009462245 569296468 /nfs/dbraw/zinc/29/64/68/569296468.db2.gz VFLVERBIEIQBPN-HBMCJLEFSA-N 0 3 439.298 5.045 40 0 IKABHN O=C1[C@@H](C2CCN(Cc3cccc4ncccc34)CC2)CC=CCN1Cc1ccc(F)cc1 ZINC000019698447 569326897 /nfs/dbraw/zinc/32/68/97/569326897.db2.gz JYGPVYCAGXCNCT-AREMUKBSSA-N 0 3 443.566 5.191 40 0 IKABHN O=C1CCC[C@@H]2[C@H](C[C@H](c3ccc(C(F)(F)F)cc3)N2Cc2cccc3cccnc32)N1 ZINC000019713849 569327840 /nfs/dbraw/zinc/32/78/40/569327840.db2.gz JVYIEASJNVWOMP-BHDDXSALSA-N 0 3 439.481 5.238 40 0 IKABHN Cc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNCc4ccccn4)C=C3C)o2)cc1 ZINC000030883136 291401150 /nfs/dbraw/zinc/40/11/50/291401150.db2.gz ZNBRGKRSUQTAJM-LSQMVHIFSA-N 0 3 430.596 5.627 40 0 biogenic,in-vitro IKABHN CCOc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000022074195 520729894 /nfs/dbraw/zinc/72/98/94/520729894.db2.gz RUBVUAIMJXUPEH-QGZVFWFLSA-N 0 3 430.375 6.822 40 0 IKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)cc2)CC1 ZINC000020492005 521025843 /nfs/dbraw/zinc/02/58/43/521025843.db2.gz LCUDLXYGQFKDHJ-UHFFFAOYSA-N 0 3 441.575 5.101 40 0 IKABHN COc1cc(CNCc2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000022073629 522468155 /nfs/dbraw/zinc/46/81/55/522468155.db2.gz CKRHSNFRLHYKOJ-UHFFFAOYSA-N 0 3 430.317 5.466 40 0 IKABHN COc1ccc(CNCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000022076781 524072362 /nfs/dbraw/zinc/07/23/62/524072362.db2.gz MIYUPBSBQPEPMA-UHFFFAOYSA-N 0 3 432.347 5.879 40 0 IKABHN COc1ccccc1CN1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000035310884 524457923 /nfs/dbraw/zinc/45/79/23/524457923.db2.gz IEPHGEUEKDHBEY-YQQQUEKLSA-N 0 3 447.501 5.421 40 0 IKABHN Cc1ccc(CNCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)cc1 ZINC000022076696 524583630 /nfs/dbraw/zinc/58/36/30/524583630.db2.gz WXFSBNMAOGOPSW-UHFFFAOYSA-N 0 3 436.382 7.324 40 0 IKABHN COc1ccccc1[C@@H](C)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000225824313 524723732 /nfs/dbraw/zinc/72/37/32/524723732.db2.gz YCXGDJMPWKZXRQ-JOCHJYFZSA-N 0 3 442.603 5.641 40 0 IKABHN COc1ccc2c(c1)N[C@]1(COC3(C1)CCN(Cc1ccc(Cl)cc1)CC3)c1cccn1-2 ZINC000012086183 525553609 /nfs/dbraw/zinc/55/36/09/525553609.db2.gz JVTBQWAGANESSB-AREMUKBSSA-N 0 3 449.982 5.215 40 0 IKABHN Cc1cc(Br)c2c(c1)C(=O)[C@@](CN1CCCCC1)(Sc1ccccc1)CO2 ZINC000016284095 526152309 /nfs/dbraw/zinc/15/23/09/526152309.db2.gz DXBFZQAEGZSPTN-QFIPXVFZSA-N 0 3 446.410 5.350 40 0 IKABHN Fc1ccccc1CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000016449519 526408236 /nfs/dbraw/zinc/40/82/36/526408236.db2.gz ZLNLXWXQVIILHU-UHFFFAOYSA-N 0 3 448.763 6.153 40 0 IKABHN Clc1ccc(COc2ccc(Br)cc2CNC[C@@H]2CCCO2)c(Cl)c1 ZINC000016384988 526950750 /nfs/dbraw/zinc/95/07/50/526950750.db2.gz LWFLRASSQRNJQX-KRWDZBQOSA-N 0 3 445.184 5.604 40 0 IKABHN Clc1ccc(COc2ccc(Cl)cc2CNCCCN2CCOCC2)c(Cl)c1 ZINC000022074116 526951463 /nfs/dbraw/zinc/95/14/63/526951463.db2.gz LHMLZMBXHFNLRC-UHFFFAOYSA-N 0 3 443.802 5.038 40 0 IKABHN O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 ZINC000020503194 527447363 /nfs/dbraw/zinc/44/73/63/527447363.db2.gz JSGCFBMRZISMAM-AZUAARDMSA-N 0 3 430.548 5.488 40 0 biogenic,in-vitro IKABHN CN(C)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000001621257 555706407 /nfs/dbraw/zinc/70/64/07/555706407.db2.gz VXCVWSOSZUBRFK-SFHVURJKSA-N 0 3 430.162 6.110 40 0 IKABHN COc1ccc([C@H](CN(C)C(C)C)OC(=O)C(c2ccccc2)c2ccccc2)cc1OC ZINC000001758872 555712825 /nfs/dbraw/zinc/71/28/25/555712825.db2.gz VNXGWXHCHMZQTK-SANMLTNESA-N 0 3 447.575 5.460 40 0 IKABHN CCN(CC)CCOC(=O)C(OCCCc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004430118 555994986 /nfs/dbraw/zinc/99/49/86/555994986.db2.gz QVHKRJIZHJRDAW-UHFFFAOYSA-N 0 3 445.603 5.465 40 0 IKABHN CN(Cc1ccccc1)[C@H](c1ccccc1)[C@]1(c2ccccc2)Cc2ccccc2C(=O)O1 ZINC000005518877 556057808 /nfs/dbraw/zinc/05/78/08/556057808.db2.gz ZUCWJCZDTZGBHU-PQHLKRTFSA-N 0 3 433.551 6.168 40 0 IKABHN C[C@@H]1[C@]2(c3ccccc3)[C@@H](c3ccccc3)N[C@@H](C(=O)c3ccccc3)[C@]12c1ccccc1 ZINC000005706566 556063326 /nfs/dbraw/zinc/06/33/26/556063326.db2.gz JNDUYIVFABWMIF-ZJKAFWHBSA-N 0 3 429.563 6.108 40 0 IKABHN C[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)CN(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000013763895 556301842 /nfs/dbraw/zinc/30/18/42/556301842.db2.gz LBMQWGLSKLHDSA-XTPLGNKUSA-N 0 3 445.606 7.163 40 0 IKABHN Cc1cccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)CC2)c1 ZINC000039766263 556436971 /nfs/dbraw/zinc/43/69/71/556436971.db2.gz WBAWMHJEWLHYAG-UHFFFAOYSA-N 0 3 434.967 6.291 40 0 IKABHN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000030854481 556509661 /nfs/dbraw/zinc/50/96/61/556509661.db2.gz LIPRDQINGCBFRL-MUUNZHRXSA-N 0 3 442.603 5.771 40 0 IKABHN O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000030937889 556515524 /nfs/dbraw/zinc/51/55/24/556515524.db2.gz LBGAWUXGEQAOII-FQEVSTJZSA-N 0 3 437.008 6.342 40 0 IKABHN CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000030943337 556516617 /nfs/dbraw/zinc/51/66/17/556516617.db2.gz OMJDKHOZDMXBDH-FQEVSTJZSA-N 0 3 428.960 5.148 40 0 IKABHN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030947092 556517211 /nfs/dbraw/zinc/51/72/11/556517211.db2.gz SNAPEWRCURDKFV-GYPCIFOGSA-N 0 3 446.610 6.144 40 0 IKABHN CCOc1ccccc1CCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000013669866 556550753 /nfs/dbraw/zinc/55/07/53/556550753.db2.gz VDAVDTXKXAZTTQ-UHFFFAOYSA-N 0 3 428.576 5.006 40 0 IKABHN COc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016195479 556589852 /nfs/dbraw/zinc/58/98/52/556589852.db2.gz NIFWAAXCOTWBHJ-OAQYLSRUSA-N 0 3 432.347 5.404 40 0 IKABHN COc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016195629 556590126 /nfs/dbraw/zinc/59/01/26/556590126.db2.gz DKGFHAAVKJJVKH-INIZCTEOSA-N 0 3 430.759 5.503 40 0 IKABHN COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016214694 556591370 /nfs/dbraw/zinc/59/13/70/556591370.db2.gz YZCXKRJLQDZCNK-OAQYLSRUSA-N 0 3 432.347 5.404 40 0 IKABHN COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1Cl ZINC000016214726 556591414 /nfs/dbraw/zinc/59/14/14/556591414.db2.gz BPMSUDHQBYUCKV-UHFFFAOYSA-N 0 3 446.330 5.600 40 0 IKABHN COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016214698 556591428 /nfs/dbraw/zinc/59/14/28/556591428.db2.gz YZCXKRJLQDZCNK-NRFANRHFSA-N 0 3 432.347 5.404 40 0 IKABHN COc1ccc(CCNCc2cccc(OC)c2OCc2ccc(Cl)cc2)cc1OC ZINC000016228217 556593508 /nfs/dbraw/zinc/59/35/08/556593508.db2.gz PEYLMXJHIQUIEB-UHFFFAOYSA-N 0 3 441.955 5.277 40 0 IKABHN Fc1ccc(CCNCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000016401397 556605749 /nfs/dbraw/zinc/60/57/49/556605749.db2.gz ICWKRUDMTOOYGI-UHFFFAOYSA-N 0 3 448.763 6.153 40 0 IKABHN Fc1ccccc1CCNCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000016449530 556609236 /nfs/dbraw/zinc/60/92/36/556609236.db2.gz PAAWASLIGUGEJZ-UHFFFAOYSA-N 0 3 448.763 6.153 40 0 IKABHN O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833085 556622052 /nfs/dbraw/zinc/62/20/52/556622052.db2.gz NZYWGAJSJHMIQY-VWLOTQADSA-N 0 3 432.995 5.781 40 0 IKABHN O=C(Nc1ccc(CSc2ccccc2)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038851453 556625031 /nfs/dbraw/zinc/62/50/31/556625031.db2.gz XLRUHJRCYFGDHK-JOCHJYFZSA-N 0 3 434.580 5.969 40 0 IKABHN CCOc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccc(F)cc1 ZINC000016688521 556626314 /nfs/dbraw/zinc/62/63/14/556626314.db2.gz BXTLIFHEMIDFMG-UHFFFAOYSA-N 0 3 431.910 5.928 40 0 IKABHN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038860828 556626460 /nfs/dbraw/zinc/62/64/60/556626460.db2.gz UMQCYFCFIGXDFF-IBGZPJMESA-N 0 3 438.930 6.122 40 0 IKABHN CCOc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 ZINC000016689081 556626964 /nfs/dbraw/zinc/62/69/64/556626964.db2.gz VXIZVMCIQAPMCW-UHFFFAOYSA-N 0 3 425.912 5.336 40 0 IKABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 ZINC000101012093 556643308 /nfs/dbraw/zinc/64/33/08/556643308.db2.gz LIEWMCGEEMYSGL-ZRBLBEILSA-N 0 3 432.907 5.008 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000101027538 556644322 /nfs/dbraw/zinc/64/43/22/556644322.db2.gz VFLVERBIEIQBPN-HKBOAZHASA-N 0 3 439.298 5.045 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000101027536 556644411 /nfs/dbraw/zinc/64/44/11/556644411.db2.gz VFLVERBIEIQBPN-NJYVYQBISA-N 0 3 439.298 5.045 40 0 IKABHN CCCOc1ccccc1CCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000044851645 556670781 /nfs/dbraw/zinc/67/07/81/556670781.db2.gz KBJRFVHQDSILHD-UHFFFAOYSA-N 0 3 442.603 5.396 40 0 IKABHN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCN(Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855176 556671294 /nfs/dbraw/zinc/67/12/94/556671294.db2.gz QBBDWPFHEWIHBM-KNQAVFIVSA-N 0 3 426.988 5.279 40 0 IKABHN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000044855430 556671572 /nfs/dbraw/zinc/67/15/72/556671572.db2.gz HPQIPCUTZLBFIS-AREMUKBSSA-N 0 3 440.587 5.586 40 0 IKABHN CC[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856874 556672666 /nfs/dbraw/zinc/67/26/66/556672666.db2.gz QWCIEWWEGQXBRL-RUZDIDTESA-N 0 3 444.575 5.143 40 0 IKABHN CC1(C)C[C@@H](NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c2ccccc2O1 ZINC000044918631 556682000 /nfs/dbraw/zinc/68/20/00/556682000.db2.gz FCJIWEHBZVHTEF-RUZDIDTESA-N 0 3 426.560 5.277 40 0 IKABHN COc1ccccc1-c1ccc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)cc1 ZINC000019021114 556693616 /nfs/dbraw/zinc/69/36/16/556693616.db2.gz PAESZGBQZJRQNA-UHFFFAOYSA-N 0 3 432.539 5.129 40 0 IKABHN Cc1ccc2c(c1)[nH]cc2[C@@H](O)CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2 ZINC000019219727 556714105 /nfs/dbraw/zinc/71/41/05/556714105.db2.gz ZWROJRGVUNUVNA-UIOOFZCWSA-N 0 3 442.559 5.014 40 0 IKABHN O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(F)c3)CC[C@@H]21 ZINC000019293885 556733048 /nfs/dbraw/zinc/73/30/48/556733048.db2.gz CHYCHMQACNLYKK-HJOGWXRNSA-N 0 3 438.543 5.157 40 0 IKABHN Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000019294083 556733802 /nfs/dbraw/zinc/73/38/02/556733802.db2.gz XTZUSYHIEFYTNG-OAQYLSRUSA-N 0 3 440.526 5.196 40 0 IKABHN O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CN(C1CCCCC1)C1CCCCC1 ZINC000055121113 556735242 /nfs/dbraw/zinc/73/52/42/556735242.db2.gz NBGJQPCTLZZCMF-QNGOZBTKSA-N 0 3 433.017 6.301 40 0 IKABHN FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@H]3CCCN3C3CCSCC3)nn21 ZINC000019343875 556741764 /nfs/dbraw/zinc/74/17/64/556741764.db2.gz XJZNJZYECPMVLA-LZLYRXPVSA-N 0 3 442.576 5.637 40 0 IKABHN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)C1CCC1 ZINC000019400662 556753038 /nfs/dbraw/zinc/75/30/38/556753038.db2.gz IJYQIGXWGGCOGZ-YIXXDRMTSA-N 0 3 447.623 5.273 40 0 IKABHN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc3ncccc3c2)C1)c1cccs1 ZINC000019400610 556753209 /nfs/dbraw/zinc/75/32/09/556753209.db2.gz FWYNNGDBIOFPQV-OFVILXPXSA-N 0 3 442.588 5.075 40 0 IKABHN CC(C)n1cc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c2ccccc21 ZINC000019454805 556764856 /nfs/dbraw/zinc/76/48/56/556764856.db2.gz SOPKNZRLDLWPMN-SANMLTNESA-N 0 3 446.639 5.733 40 0 IKABHN CCOCc1cc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)ccc1OC ZINC000019531117 556791610 /nfs/dbraw/zinc/79/16/10/556791610.db2.gz ZYGULOARAOQQOT-UHFFFAOYSA-N 0 3 445.510 5.394 40 0 IKABHN CCOc1cc(CN2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)ccc1OC ZINC000019531976 556792310 /nfs/dbraw/zinc/79/23/10/556792310.db2.gz OJHIHXPKRWCTPN-INIZCTEOSA-N 0 3 431.483 5.256 40 0 IKABHN CCOc1cc(CN2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)ccc1OC ZINC000019531974 556792326 /nfs/dbraw/zinc/79/23/26/556792326.db2.gz OJHIHXPKRWCTPN-MRXNPFEDSA-N 0 3 431.483 5.256 40 0 IKABHN CCOc1ccc(CN2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1OC ZINC000019533790 556793524 /nfs/dbraw/zinc/79/35/24/556793524.db2.gz RAIZWOPXYPYBBN-MRXNPFEDSA-N 0 3 431.483 5.256 40 0 IKABHN CCOc1ccc(CN2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cc1OC ZINC000019533787 556793534 /nfs/dbraw/zinc/79/35/34/556793534.db2.gz RGLJYFDMAVPPEH-MRXNPFEDSA-N 0 3 449.473 5.337 40 0 IKABHN O=c1c(-c2ccc(OC(F)(F)F)cc2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 ZINC000005415033 556798750 /nfs/dbraw/zinc/79/87/50/556798750.db2.gz VUXCVOIIBFUZEK-DOTOQJQBSA-N 0 3 446.494 5.095 40 0 biogenic,in-vitro IKABHN Cc1c2cc(F)ccc2[nH]c1CN1CCC([C@@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 ZINC000019565455 556806153 /nfs/dbraw/zinc/80/61/53/556806153.db2.gz IKJSESGMBKPEPQ-XMMPIXPASA-N 0 3 436.575 5.126 40 0 IKABHN Cc1c(CN2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)[nH]c2ccccc12 ZINC000019565891 556806452 /nfs/dbraw/zinc/80/64/52/556806452.db2.gz GLSOAVNGTFJBQD-RUZDIDTESA-N 0 3 444.604 5.316 40 0 IKABHN COc1cc(C)c(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1C ZINC000019567345 556807556 /nfs/dbraw/zinc/80/75/56/556807556.db2.gz WILOFJCQXZPGJY-XMMPIXPASA-N 0 3 445.611 5.266 40 0 IKABHN Cc1[nH]c2ccccc2c1[C@@H](O)CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2 ZINC000019581656 556819652 /nfs/dbraw/zinc/81/96/52/556819652.db2.gz SNFHUXMLVXTTSW-DQEYMECFSA-N 0 3 442.559 5.014 40 0 IKABHN Cc1ccc(Cl)cc1N1CCN(C[C@H]2C(=O)O[C@H]3C[C@@]4(C)CCC[C@@H](C)C4=C[C@H]23)CC1 ZINC000063720235 556821512 /nfs/dbraw/zinc/82/15/12/556821512.db2.gz RSUMDFBTCAAZNY-RFZNLCKASA-N 0 3 443.031 5.085 40 0 IKABHN O=C(CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1)N(c1ccccc1)c1ccccc1 ZINC000004398458 556822491 /nfs/dbraw/zinc/82/24/91/556822491.db2.gz JYAXAJLENRUMRY-UHFFFAOYSA-N 0 3 444.966 5.761 40 0 IKABHN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000066129434 556840161 /nfs/dbraw/zinc/84/01/61/556840161.db2.gz LAMPPZAYRXOJOM-UHFFFAOYSA-N 0 3 426.438 5.396 40 0 IKABHN CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2Cc2ccc3ncccc3c2)n1 ZINC000019687424 556842311 /nfs/dbraw/zinc/84/23/11/556842311.db2.gz KRDDMDGBAAWLPX-XMMPIXPASA-N 0 3 427.527 5.234 40 0 IKABHN CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2ccncc2)CC1 ZINC000019700252 556859931 /nfs/dbraw/zinc/85/99/31/556859931.db2.gz GDKQECRNJNALCJ-UHFFFAOYSA-N 0 3 433.621 5.161 40 0 IKABHN Cc1nn(-c2ccccn2)c2nc([C@@H]3CCCN3Cc3cn(C)c4ccc(F)cc34)ccc12 ZINC000019742436 556886540 /nfs/dbraw/zinc/88/65/40/556886540.db2.gz BQTGMLDEOKJJMJ-DEOSSOPVSA-N 0 3 440.526 5.092 40 0 IKABHN Cn1cc(CN2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c2ccccc21 ZINC000072330428 556905464 /nfs/dbraw/zinc/90/54/64/556905464.db2.gz SJVXRBDLXUORKH-DFBJGRDBSA-N 0 3 444.604 5.018 40 0 IKABHN COc1c(C)cccc1CN1CCC[C@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330456 556905904 /nfs/dbraw/zinc/90/59/04/556905904.db2.gz YPMYTOKLIJGYTK-NVQXNPDNSA-N 0 3 435.612 5.048 40 0 IKABHN Cc1cccc(CN2CCC[C@H]([C@H](NC(=O)CCc3ccccc3)c3ccccn3)C2)c1 ZINC000072330550 556906453 /nfs/dbraw/zinc/90/64/53/556906453.db2.gz HIXPCWQFYIIFFW-LSYYVWMOSA-N 0 3 427.592 5.092 40 0 IKABHN COc1ccc2c(c1)NC1(CCN(CCCC(=O)c3ccc(F)cc3)CC1)c1cccn1-2 ZINC000072341666 556914166 /nfs/dbraw/zinc/91/41/66/556914166.db2.gz BZPMCDFWKIZJIP-UHFFFAOYSA-N 0 3 433.527 5.005 40 0 IKABHN CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CCN(CCCOc2ccc(F)cc2)C1 ZINC000072352492 556924555 /nfs/dbraw/zinc/92/45/55/556924555.db2.gz YEXSEJQXOFPYMZ-QGZVFWFLSA-N 0 3 426.557 5.001 40 0 IKABHN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1Cc1ccc2cccc(OC)c2n1 ZINC000072370374 556934678 /nfs/dbraw/zinc/93/46/78/556934678.db2.gz JLHIVEAWVNSLLS-LJQANCHMSA-N 0 3 445.588 5.025 40 0 IKABHN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1cnc(C(C)C)nc1 ZINC000072370687 556935953 /nfs/dbraw/zinc/93/59/53/556935953.db2.gz QYNZADJDQJERNI-LJQANCHMSA-N 0 3 436.625 5.162 40 0 IKABHN COCc1ccc(OC)c(CN2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)c1 ZINC000072372709 556943816 /nfs/dbraw/zinc/94/38/16/556943816.db2.gz UGJZQSWYIMQOQY-JOCHJYFZSA-N 0 3 438.597 5.391 40 0 IKABHN CCOc1ccc(CN2CCC[C@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)cc1CO ZINC000072372713 556943830 /nfs/dbraw/zinc/94/38/30/556943830.db2.gz MPOAODRKQATISC-QFIPXVFZSA-N 0 3 438.597 5.127 40 0 IKABHN Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3cn(CCCO)c4ccccc34)n2)s1 ZINC000072375763 556952932 /nfs/dbraw/zinc/95/29/32/556952932.db2.gz ASJBXZPKGJFAQL-QHCPKHFHSA-N 0 3 447.608 5.264 40 0 IKABHN Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3cn(CCCO)c4ccccc34)n2)s1 ZINC000072375764 556952983 /nfs/dbraw/zinc/95/29/83/556952983.db2.gz ASJBXZPKGJFAQL-HSZRJFAPSA-N 0 3 447.608 5.264 40 0 IKABHN Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072391340 556961994 /nfs/dbraw/zinc/96/19/94/556961994.db2.gz GWPUSDSGGLNEKR-HXUWFJFHSA-N 0 3 440.526 5.196 40 0 IKABHN Cc1c(CN2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)oc2ccccc12 ZINC000072394596 556965911 /nfs/dbraw/zinc/96/59/11/556965911.db2.gz RXBSDQBPZJQWII-NRFANRHFSA-N 0 3 425.598 5.313 40 0 IKABHN CCOc1cc2c(cc1CN1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCC2 ZINC000072398616 556970235 /nfs/dbraw/zinc/97/02/35/556970235.db2.gz HPMDLLFMLUYPQP-NVQXNPDNSA-N 0 3 449.639 5.085 40 0 IKABHN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN(C1CCCCC1)C1CCCCC1 ZINC000408582975 557045155 /nfs/dbraw/zinc/04/51/55/557045155.db2.gz QEUPXLHINKQBPF-UHFFFAOYSA-N 0 3 448.629 5.342 40 0 IKABHN C[C@H](c1ccccc1)N1C[C@H](c2ccccc2)[C@H]2C(=O)CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000095951559 557162300 /nfs/dbraw/zinc/16/23/00/557162300.db2.gz PNEZUKVPMORBBH-CDLYNWKESA-N 0 3 434.580 5.042 40 0 IKABHN COc1cc(CN[C@H](C)c2ccccc2)cc(Br)c1OCc1cccnc1 ZINC000022076919 557173593 /nfs/dbraw/zinc/17/35/93/557173593.db2.gz LNOXNNOXPWBLGL-MRXNPFEDSA-N 0 3 427.342 5.283 40 0 IKABHN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)CC1 ZINC000008832661 557177758 /nfs/dbraw/zinc/17/77/58/557177758.db2.gz QDMMHKFVFTYYGV-UHFFFAOYSA-N 0 3 444.362 5.648 40 0 IKABHN CCOc1cc(CN2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)ccc1OC ZINC000057774530 557264395 /nfs/dbraw/zinc/26/43/95/557264395.db2.gz RZAUYHQUCDRFFE-UHFFFAOYSA-N 0 3 433.474 5.369 40 0 IKABHN CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1 ZINC000057774855 557264738 /nfs/dbraw/zinc/26/47/38/557264738.db2.gz PTWPLXVMNNTQFN-JTHBVZDNSA-N 0 3 428.020 5.773 40 0 IKABHN CC(=O)c1cccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000219960646 557272240 /nfs/dbraw/zinc/27/22/40/557272240.db2.gz ZFCBTOGKUDXHMQ-UHFFFAOYSA-N 0 3 426.560 5.596 40 0 IKABHN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000219959945 557272308 /nfs/dbraw/zinc/27/23/08/557272308.db2.gz DJPGGRCARHLUHW-UHFFFAOYSA-N 0 3 436.958 6.186 40 0 IKABHN CCCCc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000219961017 557272617 /nfs/dbraw/zinc/27/26/17/557272617.db2.gz DCVOYGHOWHOOBT-UHFFFAOYSA-N 0 3 440.631 6.736 40 0 IKABHN C[C@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000219961600 557272671 /nfs/dbraw/zinc/27/26/71/557272671.db2.gz HMXROPXPADWKGH-XMMPIXPASA-N 0 3 440.631 5.892 40 0 IKABHN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1)C1CCCC1 ZINC000072215589 557342229 /nfs/dbraw/zinc/34/22/29/557342229.db2.gz KXFUMLGRZSUDOC-XMMPIXPASA-N 0 3 435.612 6.493 40 0 IKABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1=O ZINC000101128605 557346660 /nfs/dbraw/zinc/34/66/60/557346660.db2.gz LNTRJTHXPKASLK-SDHSZQHLSA-N 0 3 440.543 5.344 40 0 IKABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000101133842 557369421 /nfs/dbraw/zinc/36/94/21/557369421.db2.gz QMPCFFAWGGZZJL-SDHOMARFSA-N 0 3 440.543 5.344 40 0 IKABHN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000113959108 557381953 /nfs/dbraw/zinc/38/19/53/557381953.db2.gz YFDOSTJHTQUVRT-XMMPIXPASA-N 0 3 440.631 6.249 40 0 IKABHN CC(C)(Cc1ccccc1)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000223008672 557415106 /nfs/dbraw/zinc/41/51/06/557415106.db2.gz FMBMJCFPLYDDIB-UHFFFAOYSA-N 0 3 440.631 5.892 40 0 IKABHN CC[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCCC2 ZINC000223019359 557416127 /nfs/dbraw/zinc/41/61/27/557416127.db2.gz HQPFIWZAGUNCAC-GDLZYMKVSA-N 0 3 438.615 6.005 40 0 IKABHN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223416010 557469507 /nfs/dbraw/zinc/46/95/07/557469507.db2.gz ITRSSSRVMCSTPF-UHFFFAOYSA-N 0 3 433.555 5.483 40 0 IKABHN CCCc1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000223416445 557469524 /nfs/dbraw/zinc/46/95/24/557469524.db2.gz UBHICXIICHJRIW-UHFFFAOYSA-N 0 3 428.576 5.006 40 0 IKABHN CCOc1cc(CNC2CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016688535 557475484 /nfs/dbraw/zinc/47/54/84/557475484.db2.gz VPSGKEUFNVWMAC-UHFFFAOYSA-N 0 3 445.184 5.986 40 0 IKABHN Cc1cccc(N2C(=O)C3=C(C2=O)C(c2ccc(Cl)cc2)Nc2ccccc2S3)c1 ZINC000017098244 557480642 /nfs/dbraw/zinc/48/06/42/557480642.db2.gz MQAXJEWOMVBLAE-OAQYLSRUSA-N 0 3 432.932 5.735 40 0 IKABHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000017096376 557488613 /nfs/dbraw/zinc/48/86/13/557488613.db2.gz MYNSAMRJDBNTOG-UHFFFAOYSA-N 0 3 429.347 6.492 40 0 IKABHN COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)[C@H](C)C(O)(Cc3ccccc3)[C@@H]2C)cc1 ZINC000004144009 557531323 /nfs/dbraw/zinc/53/13/23/557531323.db2.gz BTUTYNXWDXRDAN-MYTQDWNLSA-N 0 3 431.576 5.335 40 0 IKABHN CC1CCN(Cc2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc2)CC1 ZINC000223999490 557541889 /nfs/dbraw/zinc/54/18/89/557541889.db2.gz XQJQWQXZAJETMF-UHFFFAOYSA-N 0 3 438.622 5.315 40 0 IKABHN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)c1 ZINC000224292522 557586458 /nfs/dbraw/zinc/58/64/58/557586458.db2.gz GLVOZFZPKDPEDS-BJKOFHAPSA-N 0 3 425.561 5.061 40 0 IKABHN Cc1cccc(CN2CCC(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)CC2)c1 ZINC000224485101 557611313 /nfs/dbraw/zinc/61/13/13/557611313.db2.gz DMRMLZWNZSVZBL-UHFFFAOYSA-N 0 3 426.973 5.018 40 0 IKABHN CC(C)n1c(=O)sc2cc(NC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)ccc21 ZINC000225174811 557696317 /nfs/dbraw/zinc/69/63/17/557696317.db2.gz UFHSYTSSRRAVJV-QGZVFWFLSA-N 0 3 444.000 5.148 40 0 IKABHN CC1CCN(CCOc2ccc(NC(=O)C3(c4ccccc4Cl)CCCC3)cc2)CC1 ZINC000225526052 557736234 /nfs/dbraw/zinc/73/62/34/557736234.db2.gz NIXXGFOVVMNLEH-UHFFFAOYSA-N 0 3 441.015 5.901 40 0 IKABHN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)c(C)c1 ZINC000101253867 557758968 /nfs/dbraw/zinc/75/89/68/557758968.db2.gz SEPGHCCRPAHPBO-VABKMULXSA-N 0 3 432.907 5.008 40 0 IKABHN S=C(NCCCN1CCc2ccccc2C1)Nc1ccc(CSc2ccccc2)cc1 ZINC000225743027 557771696 /nfs/dbraw/zinc/77/16/96/557771696.db2.gz GEHCDPHVGVFYHX-UHFFFAOYSA-N 0 3 447.673 5.714 40 0 IKABHN O=C(NCCCN1CCc2ccccc2C1)c1cccc(OCc2ccccc2Cl)c1 ZINC000225780174 557777231 /nfs/dbraw/zinc/77/72/31/557777231.db2.gz OXQWLNDVTPDXAO-UHFFFAOYSA-N 0 3 434.967 5.097 40 0 IKABHN Cc1nc([C@]2(O)CCCN(Cc3cccc(C)c3)CC2)sc1CCOc1ccccc1 ZINC000019738685 568752578 /nfs/dbraw/zinc/75/25/78/568752578.db2.gz MNWPCSXQDYHAME-SANMLTNESA-N 0 3 436.621 5.255 40 0 IKABHN O=C1N(Cc2cccc(C(F)(F)F)c2)CCCC12CCN(Cc1ccc(F)cc1)CC2 ZINC000057773856 568909243 /nfs/dbraw/zinc/90/92/43/568909243.db2.gz OAHUTSTVLVIBLS-UHFFFAOYSA-N 0 3 434.477 5.249 40 0 IKABHN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCCCC2)cc1 ZINC000002546364 569097422 /nfs/dbraw/zinc/09/74/22/569097422.db2.gz SAGVWXDNZIIQSR-DEOSSOPVSA-N 0 3 434.605 6.201 40 0 IKABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(CSc4ccccc4)cc3C)CC2)cc1 ZINC000009063128 569219780 /nfs/dbraw/zinc/21/97/80/569219780.db2.gz YISLNQDROXBDKZ-UHFFFAOYSA-N 0 3 444.644 6.446 40 0 IKABHN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 ZINC000010363695 569223882 /nfs/dbraw/zinc/22/38/82/569223882.db2.gz GXWKKFCRNOKEJG-NRFANRHFSA-N 0 3 441.575 5.416 40 0 IKABHN O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(CN2CCCCC2)cc1 ZINC000010367495 569223953 /nfs/dbraw/zinc/22/39/53/569223953.db2.gz AGFBLAZITHVUEE-UHFFFAOYSA-N 0 3 437.436 5.643 40 0 IKABHN Cc1c(CN2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)oc2ccc(C)cc12 ZINC000019220505 569226071 /nfs/dbraw/zinc/22/60/71/569226071.db2.gz ZNZQAZSAOJYLLX-NBGIEHNGSA-N 0 3 433.596 5.560 40 0 IKABHN C/C(=C\c1ccccc1)CN1CCC[C@@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000019014385 569226149 /nfs/dbraw/zinc/22/61/49/569226149.db2.gz JOEJFBSVOQAJAR-WLVXRYDHSA-N 0 3 431.624 5.635 40 0 IKABHN CC(C)Oc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000019450630 569226581 /nfs/dbraw/zinc/22/65/81/569226581.db2.gz PFRUPJQXTWCCGR-PXDATVDWSA-N 0 3 449.620 5.314 40 0 IKABHN O=C1CCC[C@@H]2[C@H](C[C@H](c3ccc(C(F)(F)F)cc3)N2Cc2ccc3ncccc3c2)N1 ZINC000019713890 569235774 /nfs/dbraw/zinc/23/57/74/569235774.db2.gz AVYOZBNFVOQQIL-YTFSRNRJSA-N 0 3 439.481 5.238 40 0 IKABHN COc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1Cl ZINC000020239953 569241197 /nfs/dbraw/zinc/24/11/97/569241197.db2.gz PLCLLCQPEQWCCF-UHFFFAOYSA-N 0 3 448.994 6.056 40 0 IKABHN COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)Cc4c[nH]c5ccccc45)C3)c2)c1 ZINC000257201082 569275515 /nfs/dbraw/zinc/27/55/15/569275515.db2.gz AGFGSQZJYFTLMB-IBGZPJMESA-N 0 3 440.547 5.182 40 0 IKABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)Cc4c[nH]c5ccccc45)C3)c2)c1 ZINC000257201083 569275581 /nfs/dbraw/zinc/27/55/81/569275581.db2.gz AGFGSQZJYFTLMB-LJQANCHMSA-N 0 3 440.547 5.182 40 0 IKABHN COC1(COc2ccc(Cl)c(Cl)c2)CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000257208442 569275902 /nfs/dbraw/zinc/27/59/02/569275902.db2.gz BMECVLLIRYLUQX-UHFFFAOYSA-N 0 3 437.367 5.012 40 0 IKABHN COc1ccccc1-c1cccc(CC2(C(=O)N[C@H](C)CN3CCCC3)CCCCC2)c1 ZINC000257217084 569275992 /nfs/dbraw/zinc/27/59/92/569275992.db2.gz CXJCENKXMUBNLV-JOCHJYFZSA-N 0 3 434.624 5.456 40 0 IKABHN Cc1csc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4[nH]nc5ccc(C)cc54)C3)c2)n1 ZINC000257229504 569276435 /nfs/dbraw/zinc/27/64/35/569276435.db2.gz FYIQJPIOCUYJJH-QGZVFWFLSA-N 0 3 446.580 5.103 40 0 IKABHN Cc1csc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4[nH]nc5ccc(C)cc54)C3)c2)n1 ZINC000257229503 569276448 /nfs/dbraw/zinc/27/64/48/569276448.db2.gz FYIQJPIOCUYJJH-KRWDZBQOSA-N 0 3 446.580 5.103 40 0 IKABHN CCn1cc(CN2CCC[C@H]2c2ccc(Cc3cccc(OC)c3)cn2)c2ccc(F)cc21 ZINC000257237602 569276779 /nfs/dbraw/zinc/27/67/79/569276779.db2.gz HHFSUZPWDDYIEG-MHZLTWQESA-N 0 3 443.566 6.132 40 0 IKABHN COc1ccc(Cc2ccc(C3CCN(Cc4cn(C)c5ccc(F)cc45)CC3)nc2)cc1 ZINC000257244404 569276928 /nfs/dbraw/zinc/27/69/28/569276928.db2.gz ILCZVMNXANAECM-UHFFFAOYSA-N 0 3 443.566 5.691 40 0 IKABHN COc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4ccc5ncccc5c4)C3)c2)cc1 ZINC000257270639 569277707 /nfs/dbraw/zinc/27/77/07/569277707.db2.gz MVBCBNDQSMJMHP-NRFANRHFSA-N 0 3 438.531 5.320 40 0 IKABHN O=C1CCC[C@]2(CN(Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000257282219 569278016 /nfs/dbraw/zinc/27/80/16/569278016.db2.gz OSXWJFDCTRLAAJ-RBJSKKJNSA-N 0 3 444.525 5.174 40 0 IKABHN COc1cccc2cc(CN3CC[C@H](c4c5ccccc5sc4C(=O)N(C)C)C3)oc21 ZINC000257291280 569278211 /nfs/dbraw/zinc/27/82/11/569278211.db2.gz QGIWTMZVNLKQCK-KRWDZBQOSA-N 0 3 434.561 5.347 40 0 IKABHN CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2ccccn2)CC1 ZINC000257290095 569278226 /nfs/dbraw/zinc/27/82/26/569278226.db2.gz QBOQSHPCEIBDGX-UHFFFAOYSA-N 0 3 433.621 5.161 40 0 IKABHN COc1cccc(Cc2ccc(C3CCN(Cc4cn(C)c5ccc(F)cc45)CC3)nc2)c1 ZINC000257294085 569278256 /nfs/dbraw/zinc/27/82/56/569278256.db2.gz QSJBQFIPJNSNQD-UHFFFAOYSA-N 0 3 443.566 5.691 40 0 IKABHN COc1ccc(CC(=O)N2CC[C@H](c3cc(Nc4ccc(C)cc4)cc(C)n3)C2)cc1OC ZINC000257295992 569278391 /nfs/dbraw/zinc/27/83/91/569278391.db2.gz RATRQUWGMUXJJJ-NRFANRHFSA-N 0 3 445.563 5.018 40 0 IKABHN COc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4sc(C)nc4C)C3)c2)c1 ZINC000257308300 569278808 /nfs/dbraw/zinc/27/88/08/569278808.db2.gz TWFVNSKPCSNUKJ-SFHVURJKSA-N 0 3 436.581 5.235 40 0 IKABHN Fc1ccc(O[C@@H]2COC3(C2)CCN(Cc2cccc(OCc4ccccn4)c2)CC3)cc1 ZINC000257308687 569278838 /nfs/dbraw/zinc/27/88/38/569278838.db2.gz TXSKUEWEAPFONE-SANMLTNESA-N 0 3 448.538 5.002 40 0 IKABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4sc(C)nc4C)C3)c2)c1 ZINC000257308299 569278856 /nfs/dbraw/zinc/27/88/56/569278856.db2.gz TWFVNSKPCSNUKJ-GOSISDBHSA-N 0 3 436.581 5.235 40 0 IKABHN CCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2cccc(C)n2)CC1 ZINC000257320513 569279110 /nfs/dbraw/zinc/27/91/10/569279110.db2.gz VXEAUQIUUHBGHL-UHFFFAOYSA-N 0 3 445.582 5.157 40 0 IKABHN Cc1ccccc1CN1CCC[C@H](c2nc(C)c(CC(=O)Nc3ccccc3F)c(C)n2)C1 ZINC000257323948 569279232 /nfs/dbraw/zinc/27/92/32/569279232.db2.gz WMNVHPLBAPYRQN-QFIPXVFZSA-N 0 3 446.570 5.102 40 0 IKABHN C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)NCCC[NH+]3CCCCCC3)ccc1OC2(C)C ZINC000257327610 569279444 /nfs/dbraw/zinc/27/94/44/569279444.db2.gz XCAVMUMBDRWWOK-HMXCVIKNSA-N 0 3 428.617 5.079 40 0 IKABHN Cc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CCN(Cc3ccccn3)CC2)c1 ZINC000257330970 569279527 /nfs/dbraw/zinc/27/95/27/569279527.db2.gz XQVLPHMFEBQQLL-UHFFFAOYSA-N 0 3 441.619 5.407 40 0 IKABHN O=C1CCC[C@]2(CN(Cc3cccc(-c4ccccc4)c3)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000257341999 569279828 /nfs/dbraw/zinc/27/98/28/569279828.db2.gz ZMRIOFPKTLSGHU-WNCULLNHSA-N 0 3 432.514 5.270 40 0 IKABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1C ZINC000018204322 569288089 /nfs/dbraw/zinc/28/80/89/569288089.db2.gz JTNIFZSWZPIHRK-ZLNRFVROSA-N 0 3 432.907 5.008 40 0 IKABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 ZINC000009461059 569296490 /nfs/dbraw/zinc/29/64/90/569296490.db2.gz MCAJYCWBANOJCU-QTJGBDASSA-N 0 3 446.934 5.316 40 0 IKABHN COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2Cc2ccc3ncccc3c2)c1 ZINC000019689521 569326448 /nfs/dbraw/zinc/32/64/48/569326448.db2.gz GNGMYYMCVGYKLI-RUZDIDTESA-N 0 3 439.563 5.104 40 0 IKABHN CCCCCN1CCN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)CC1 ZINC000010150590 132334993 /nfs/dbraw/zinc/33/49/93/132334993.db2.gz WTIBEFKRZWDJGA-UHFFFAOYSA-N 0 3 439.401 5.372 40 0 IKABHN CCOc1cc(CNCc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022076777 520721977 /nfs/dbraw/zinc/72/19/77/520721977.db2.gz PVSUCXKXPHDKSM-UHFFFAOYSA-N 0 3 429.919 5.755 40 0 IKABHN CC1CCN(Cc2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)CC1 ZINC000020457697 521022013 /nfs/dbraw/zinc/02/20/13/521022013.db2.gz OIEXZBIWRFTYAF-UHFFFAOYSA-N 0 3 434.967 6.617 40 0 IKABHN COc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022073681 522467299 /nfs/dbraw/zinc/46/72/99/522467299.db2.gz HISWMWRSQADBNS-UHFFFAOYSA-N 0 3 436.766 6.524 40 0 IKABHN CCn1c2ccccc2c2cc(NC(=O)c3ccc(CN4CCC(C)CC4)cc3)ccc21 ZINC000020450520 523277373 /nfs/dbraw/zinc/27/73/73/523277373.db2.gz FSHNVYLLRGZKFU-UHFFFAOYSA-N 0 3 425.576 6.299 40 0 IKABHN COc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000022076731 524073016 /nfs/dbraw/zinc/07/30/16/524073016.db2.gz HPBIQSZZKDIKHF-UHFFFAOYSA-N 0 3 432.347 5.879 40 0 IKABHN Clc1ccc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)c(Cl)c1 ZINC000022108130 526933488 /nfs/dbraw/zinc/93/34/88/526933488.db2.gz JGPLKWUHKVSMGK-UHFFFAOYSA-N 0 3 446.363 5.111 40 0 IKABHN O=C(Nc1ccccc1C(F)(F)F)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC000012494837 527411902 /nfs/dbraw/zinc/41/19/02/527411902.db2.gz INPCWVIZDHNUGY-YQQQUEKLSA-N 0 3 435.465 5.552 40 0 IKABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC2)cc1 ZINC000039772957 556437730 /nfs/dbraw/zinc/43/77/30/556437730.db2.gz MXFJMXXYBZLALF-UHFFFAOYSA-N 0 3 446.978 5.730 40 0 IKABHN O=C(NCCSCc1c(Cl)cccc1Cl)C1CCN(Cc2ccccc2)CC1 ZINC000039753496 556438806 /nfs/dbraw/zinc/43/88/06/556438806.db2.gz JMOZSALZJWCATP-UHFFFAOYSA-N 0 3 437.436 5.255 40 0 IKABHN CCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4ccc(C)cc4)CC3)ccc21 ZINC000039756143 556439319 /nfs/dbraw/zinc/43/93/19/556439319.db2.gz DPHQBJNOWXVKMX-UHFFFAOYSA-N 0 3 425.576 5.974 40 0 IKABHN CCN(CC)[C@H](CNC(=O)c1cc(-c2ccc(OCC(C)C)cc2)on1)c1ccc(C)cc1 ZINC000028296136 556451329 /nfs/dbraw/zinc/45/13/29/556451329.db2.gz FYIFMZVSLNJTAL-RUZDIDTESA-N 0 3 449.595 5.498 40 0 IKABHN Cc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1Cl ZINC000408871944 556463419 /nfs/dbraw/zinc/46/34/19/556463419.db2.gz ZXJGCGRTWJLHSF-UHFFFAOYSA-N 0 3 432.995 6.355 40 0 IKABHN CN1CCc2ccccc2[C@@H]1Cc1ccccc1NC(=O)c1sc2ccccc2c1Cl ZINC000029590275 556478249 /nfs/dbraw/zinc/47/82/49/556478249.db2.gz ACKAQJBYLPLIOW-QFIPXVFZSA-N 0 3 447.003 6.579 40 0 in-vitro IKABHN O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000015017500 556486422 /nfs/dbraw/zinc/48/64/22/556486422.db2.gz AUYNEYDHGNEHLB-PXJZQJOASA-N 0 3 438.571 5.408 40 0 IKABHN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000030754110 556503890 /nfs/dbraw/zinc/50/38/90/556503890.db2.gz FZHZYYSAPCZNTJ-UHFFFAOYSA-N 0 3 444.644 6.772 40 0 IKABHN CC[C@H]1c2cc(Oc3c(O)c(OC)cc4c3[C@H](CC)N(C)CC4)c(OC)cc2CCN1C ZINC000013407299 556504911 /nfs/dbraw/zinc/50/49/11/556504911.db2.gz BOXBKGGQZPGMRE-PMACEKPBSA-N 0 3 440.584 5.080 40 0 IKABHN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000030943145 556516553 /nfs/dbraw/zinc/51/65/53/556516553.db2.gz YIDYTNLZSCERGY-OAQYLSRUSA-N 0 3 432.951 5.422 40 0 IKABHN Cc1c(Cl)ccc2c([C@@H](O)CNCc3ccccc3)cc(-c3ccc(Cl)cc3)nc12 ZINC000031614438 556524843 /nfs/dbraw/zinc/52/48/43/556524843.db2.gz QGSBHKGMFVUSRO-DEOSSOPVSA-N 0 3 437.370 6.340 40 0 IKABHN CC1=C(c2ccccc2)[C@@H](c2ccccc2)C(/C=C\c2ccccc2)=NC=C1c1ccccc1 ZINC000031740073 556525761 /nfs/dbraw/zinc/52/57/61/556525761.db2.gz WNVFKEPKFBWOQI-MWWSEKAKSA-N 0 3 437.586 8.453 40 0 IKABHN COc1ccc([C@H](CNC(=S)Nc2ccc(F)c(Cl)c2)N2CCCCCC2)cc1 ZINC000032555787 556540891 /nfs/dbraw/zinc/54/08/91/556540891.db2.gz AKCXOIYBJBFTIZ-NRFANRHFSA-N 0 3 435.996 5.391 40 0 IKABHN COc1cc(CNC[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016195631 556590067 /nfs/dbraw/zinc/59/00/67/556590067.db2.gz DKGFHAAVKJJVKH-MRXNPFEDSA-N 0 3 430.759 5.503 40 0 IKABHN COc1ccc(CCNCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1OC ZINC000016227412 556593168 /nfs/dbraw/zinc/59/31/68/556593168.db2.gz FXSVCIURAFBTTE-UHFFFAOYSA-N 0 3 429.919 5.408 40 0 IKABHN Cc1cc(Br)c2c(c1)C(=O)[C@](CN1CCCCC1)(Sc1ccccc1)CO2 ZINC000016284093 556596945 /nfs/dbraw/zinc/59/69/45/556596945.db2.gz DXBFZQAEGZSPTN-JOCHJYFZSA-N 0 3 446.410 5.350 40 0 IKABHN CC[C@@H]1c2cc(Oc3c(O)c(OC)cc4c3[C@@H](CC)N(C)CC4)c(OC)cc2CCN1C ZINC000036490799 556598169 /nfs/dbraw/zinc/59/81/69/556598169.db2.gz BOXBKGGQZPGMRE-WOJBJXKFSA-N 0 3 440.584 5.080 40 0 IKABHN Cc1ccc(S[C@@]2(CN3CCCC3)COc3cc(C)c(Br)cc3C2=O)cc1 ZINC000016310875 556599593 /nfs/dbraw/zinc/59/95/93/556599593.db2.gz GFOGTZCJSFXEIJ-QFIPXVFZSA-N 0 3 446.410 5.268 40 0 IKABHN Cc1ccc(S[C@@]2(CN3CCCCC3)COc3ccc(Br)cc3C2=O)cc1 ZINC000016310904 556599610 /nfs/dbraw/zinc/59/96/10/556599610.db2.gz VHAFIUUCEBAGQT-QFIPXVFZSA-N 0 3 446.410 5.350 40 0 IKABHN Clc1ccc(COc2ccc3ccccc3c2CNCc2cccs2)c(Cl)c1 ZINC000016526009 556614373 /nfs/dbraw/zinc/61/43/73/556614373.db2.gz QEIBLWZAFIAQGM-UHFFFAOYSA-N 0 3 428.384 7.077 40 0 IKABHN O=C(NCCSCc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038848528 556623710 /nfs/dbraw/zinc/62/37/10/556623710.db2.gz RPPDREOVHBIOAY-LJQANCHMSA-N 0 3 437.436 5.255 40 0 IKABHN O=C(NCCSCc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038848527 556623736 /nfs/dbraw/zinc/62/37/36/556623736.db2.gz RPPDREOVHBIOAY-IBGZPJMESA-N 0 3 437.436 5.255 40 0 IKABHN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038850634 556624525 /nfs/dbraw/zinc/62/45/25/556624525.db2.gz AJMSKNCBUMLIGH-JOCHJYFZSA-N 0 3 434.967 5.770 40 0 IKABHN CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000016688513 556626383 /nfs/dbraw/zinc/62/63/83/556626383.db2.gz GLYCFNNXBRVHSD-QFIPXVFZSA-N 0 3 429.919 5.280 40 0 IKABHN CCOc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016688471 556626425 /nfs/dbraw/zinc/62/64/25/556626425.db2.gz LKQIOXUDTJLDCZ-UHFFFAOYSA-N 0 3 448.365 6.443 40 0 IKABHN CCOc1cc(CNC[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688568 556626698 /nfs/dbraw/zinc/62/66/98/556626698.db2.gz SKKPWNNQUMJUMM-QGZVFWFLSA-N 0 3 444.786 5.893 40 0 IKABHN CCc1ccccc1NC(=O)CC1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n21 ZINC000039964001 556630965 /nfs/dbraw/zinc/63/09/65/556630965.db2.gz YLHSKGQWJLPHHJ-DEOSSOPVSA-N 0 3 438.531 5.024 40 0 IKABHN Cc1ccc(CN2C(=O)C(CC(=O)Nc3ccc(C)cc3C)n3c4ccccc4nc32)cc1 ZINC000039964002 556631141 /nfs/dbraw/zinc/63/11/41/556631141.db2.gz BHMAPFATEGQUDA-XMMPIXPASA-N 0 3 438.531 5.078 40 0 IKABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000101001550 556634603 /nfs/dbraw/zinc/63/46/03/556634603.db2.gz MCAJYCWBANOJCU-NHTMILBNSA-N 0 3 446.934 5.316 40 0 IKABHN CCCOc1ccccc1CCCNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044851540 556670497 /nfs/dbraw/zinc/67/04/97/556670497.db2.gz TXMZLFPPONXGKV-JOCHJYFZSA-N 0 3 429.004 5.090 40 0 IKABHN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CN3CCc4ccccc4C3)cc1)CC(C)(C)O2 ZINC000044855280 556671312 /nfs/dbraw/zinc/67/13/12/556671312.db2.gz SIKJKYXOZMGNLB-SANMLTNESA-N 0 3 440.587 5.586 40 0 IKABHN CCOC(=O)C1=C(C)NC(SCc2ccc(Br)cc2)=N[C@H]1c1ccccc1 ZINC000408987161 556690945 /nfs/dbraw/zinc/69/09/45/556690945.db2.gz DVCIGMDEUCOXNG-IBGZPJMESA-N 0 3 445.382 5.220 40 0 IKABHN CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000019081915 556696714 /nfs/dbraw/zinc/69/67/14/556696714.db2.gz WQCKZFODFKODBS-BKMJKUGQSA-N 0 3 449.639 5.519 40 0 IKABHN CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000019081912 556696735 /nfs/dbraw/zinc/69/67/35/556696735.db2.gz WQCKZFODFKODBS-NVQXNPDNSA-N 0 3 449.639 5.519 40 0 IKABHN CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000019082080 556696996 /nfs/dbraw/zinc/69/69/96/556696996.db2.gz RHVZZTODTOPOSR-AREMUKBSSA-N 0 3 449.639 5.519 40 0 IKABHN COc1cc2c(cc1CN1CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC1)CCCC2 ZINC000019082011 556697035 /nfs/dbraw/zinc/69/70/35/556697035.db2.gz GNZBKWQBIWCSPJ-AREMUKBSSA-N 0 3 449.639 5.085 40 0 IKABHN COc1c(C)cccc1CN1CCC[C@H]([C@@H](NC(=O)c2ccccc2C)c2ccccn2)C1 ZINC000019236835 556721379 /nfs/dbraw/zinc/72/13/79/556721379.db2.gz OMCGVHHFEZRBJQ-BKMJKUGQSA-N 0 3 443.591 5.090 40 0 IKABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1=O ZINC000013770281 556730097 /nfs/dbraw/zinc/73/00/97/556730097.db2.gz LNTRJTHXPKASLK-DSITVLBTSA-N 0 3 440.543 5.344 40 0 IKABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)c1 ZINC000013777254 556731092 /nfs/dbraw/zinc/73/10/92/556731092.db2.gz LDNOEDBPXLUFCK-DSITVLBTSA-N 0 3 440.543 5.344 40 0 IKABHN Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)C2ON1c1ccccc1 ZINC000013779182 556731656 /nfs/dbraw/zinc/73/16/56/556731656.db2.gz UMZFKDLJITZBCJ-ZNZIZOMTSA-N 0 3 434.495 5.199 40 0 IKABHN O=C(c1ccccn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(Cc3ccccc3Cl)CC[C@@H]21 ZINC000019349225 556744017 /nfs/dbraw/zinc/74/40/17/556744017.db2.gz NZYMHEQQFZVMFW-HWBMXIPRSA-N 0 3 449.957 5.004 40 0 IKABHN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)C1CCC1 ZINC000019400658 556753302 /nfs/dbraw/zinc/75/33/02/556753302.db2.gz IJYQIGXWGGCOGZ-KCWPFWIISA-N 0 3 447.623 5.273 40 0 IKABHN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000019522015 556779021 /nfs/dbraw/zinc/77/90/21/556779021.db2.gz MIIHEJJERLABRU-OAHLLOKOSA-N 0 3 449.473 5.201 40 0 IKABHN CCOc1cc(CN2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)ccc1OC ZINC000019531968 556792269 /nfs/dbraw/zinc/79/22/69/556792269.db2.gz DWZPCKDIPKAXEQ-INIZCTEOSA-N 0 3 449.473 5.337 40 0 IKABHN CCOc1ccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1OC ZINC000019533750 556793625 /nfs/dbraw/zinc/79/36/25/556793625.db2.gz GPZDNBFGGGCSFS-UHFFFAOYSA-N 0 3 431.483 5.256 40 0 IKABHN Cc1c2cc(F)ccc2[nH]c1CN1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 ZINC000019565458 556806123 /nfs/dbraw/zinc/80/61/23/556806123.db2.gz IKJSESGMBKPEPQ-DEOSSOPVSA-N 0 3 436.575 5.126 40 0 IKABHN Cc1c(CN2CCC([C@H](NC(=O)c3cccs3)c3ccccn3)CC2)[nH]c2ccccc12 ZINC000019565893 556806480 /nfs/dbraw/zinc/80/64/80/556806480.db2.gz GLSOAVNGTFJBQD-VWLOTQADSA-N 0 3 444.604 5.316 40 0 IKABHN COc1cc(C)c(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1C ZINC000019567349 556807648 /nfs/dbraw/zinc/80/76/48/556807648.db2.gz WILOFJCQXZPGJY-DEOSSOPVSA-N 0 3 445.611 5.266 40 0 IKABHN CC(C)Oc1ccc(CN2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000072330420 556905515 /nfs/dbraw/zinc/90/55/15/556905515.db2.gz PFRUPJQXTWCCGR-OFVILXPXSA-N 0 3 449.620 5.314 40 0 IKABHN C/C(=C\c1ccccc1)CN1CCC[C@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330476 556905758 /nfs/dbraw/zinc/90/57/58/556905758.db2.gz NEXFORKBUORCEF-BYLRJITOSA-N 0 3 439.603 5.297 40 0 IKABHN CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2cccc(C)n2)CC1 ZINC000072345177 556916797 /nfs/dbraw/zinc/91/67/97/556916797.db2.gz MBRUZKVLLJLVEN-UHFFFAOYSA-N 0 3 433.621 5.080 40 0 IKABHN CC(=O)N1CC[C@H](c2c3ccccc3sc2C(=O)Nc2ccccc2CN2CCCC2)C1 ZINC000072352606 556924865 /nfs/dbraw/zinc/92/48/65/556924865.db2.gz WVUNHTCSCQSAQR-FQEVSTJZSA-N 0 3 447.604 5.085 40 0 IKABHN OCCCn1cc(CN2CCC[C@@H]2c2ccc(Nc3ccc(F)cn3)cn2)c2ccccc21 ZINC000072353188 556925955 /nfs/dbraw/zinc/92/59/55/556925955.db2.gz HETZVIQGCYTTBZ-RUZDIDTESA-N 0 3 445.542 5.034 40 0 IKABHN CCc1ccc(NC(=O)CC2C(=O)N(CCC3=CCCCC3)c3nc4ccccc4n32)cc1 ZINC000019962051 556955590 /nfs/dbraw/zinc/95/55/90/556955590.db2.gz NJMCNTFAPZRQET-DEOSSOPVSA-N 0 3 442.563 5.406 40 0 IKABHN O=C(CC1C(=O)N(CCC2=CCCCC2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019962055 556955668 /nfs/dbraw/zinc/95/56/68/556955668.db2.gz YTCACZRTMDGIBQ-QFIPXVFZSA-N 0 3 448.954 5.497 40 0 IKABHN Cc1c(CN2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)oc2ccc(C)cc12 ZINC000072394602 556965953 /nfs/dbraw/zinc/96/59/53/556965953.db2.gz IINWLOKNNJHZFI-QFIPXVFZSA-N 0 3 439.625 5.622 40 0 IKABHN Cc1c(CN2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)oc2ccc(C)cc12 ZINC000072398619 556970311 /nfs/dbraw/zinc/97/03/11/556970311.db2.gz ZNZQAZSAOJYLLX-NLFFAJNJSA-N 0 3 433.596 5.560 40 0 IKABHN Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)C2ON1c1ccccc1 ZINC000102763386 557132726 /nfs/dbraw/zinc/13/27/26/557132726.db2.gz IRKTWDNRKMSRGK-UODIDJSMSA-N 0 3 434.495 5.199 40 0 IKABHN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000102709196 557133081 /nfs/dbraw/zinc/13/30/81/557133081.db2.gz SBXXZWYDZDXGMP-KKUQBAQOSA-N 0 3 434.495 5.199 40 0 IKABHN COc1ccc(CN2CCC(c3cc4c(ncn4C(C)C)c(-c4cccnc4)n3)CC2)cc1 ZINC000096100013 557169297 /nfs/dbraw/zinc/16/92/97/557169297.db2.gz UIVCYMJJEWZLRF-UHFFFAOYSA-N 0 3 441.579 5.462 40 0 IKABHN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1 ZINC000008832657 557177730 /nfs/dbraw/zinc/17/77/30/557177730.db2.gz LFEKQGPSJIKDQO-UHFFFAOYSA-N 0 3 444.362 5.648 40 0 IKABHN O[C@@H]1[C@H](NCc2ccccc2)CCC[C@H]1Oc1ccc(F)cc1Oc1cccc(F)c1 ZINC000585263537 557204041 /nfs/dbraw/zinc/20/40/41/557204041.db2.gz OIKSLFVHZCTZEW-GZGNHOFSSA-N 0 3 425.475 5.208 40 0 IKABHN C[C@H]1C[C@H](C)CN(Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 ZINC000057740268 557257460 /nfs/dbraw/zinc/25/74/60/557257460.db2.gz MWBRWQVMOTXTMX-OALUTQOASA-N 0 3 430.983 6.219 40 0 IKABHN COc1ccc2c(c1)N[C@@]1(CCCN(CCCC(=O)c3ccc(Cl)cc3)C1)c1cccn1-2 ZINC000057719869 557259249 /nfs/dbraw/zinc/25/92/49/557259249.db2.gz JGYUSFPHOWZCBM-AREMUKBSSA-N 0 3 449.982 5.519 40 0 IKABHN CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1 ZINC000057774852 557264340 /nfs/dbraw/zinc/26/43/40/557264340.db2.gz PTWPLXVMNNTQFN-GMAHTHKFSA-N 0 3 428.020 5.773 40 0 IKABHN Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000219960845 557272296 /nfs/dbraw/zinc/27/22/96/557272296.db2.gz FSJQUFWWKRJGJX-UHFFFAOYSA-N 0 3 440.631 6.825 40 0 IKABHN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072215829 557342619 /nfs/dbraw/zinc/34/26/19/557342619.db2.gz CWJXYEYEQVDLGL-RUZDIDTESA-N 0 3 443.591 6.882 40 0 IKABHN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1)C1CCCCC1 ZINC000072215708 557342659 /nfs/dbraw/zinc/34/26/59/557342659.db2.gz CIKQRGSXVBJQNZ-VWLOTQADSA-N 0 3 449.639 6.883 40 0 IKABHN COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1cccs1)N2Cc1ccccc1 ZINC000013563493 557353733 /nfs/dbraw/zinc/35/37/33/557353733.db2.gz YMAUOWKZFNZVSE-TVPUMLRDSA-N 0 3 433.573 5.503 40 0 IKABHN O=C(NCc1ccccc1Cl)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958343 557381724 /nfs/dbraw/zinc/38/17/24/557381724.db2.gz JAQVHQAVLHDGDG-UHFFFAOYSA-N 0 3 432.995 5.725 40 0 IKABHN CSc1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958475 557381791 /nfs/dbraw/zinc/38/17/91/557381791.db2.gz QTLPAODQSOKBQP-UHFFFAOYSA-N 0 3 430.617 6.116 40 0 IKABHN C[C@H](NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(F)cc1 ZINC000113958910 557381991 /nfs/dbraw/zinc/38/19/91/557381991.db2.gz FOROABYTDVLMHS-NRFANRHFSA-N 0 3 430.567 5.771 40 0 IKABHN COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000113958853 557382009 /nfs/dbraw/zinc/38/20/09/557382009.db2.gz MEWSBGJRCCCMBF-JOCHJYFZSA-N 0 3 442.603 5.641 40 0 IKABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)c1 ZINC000101147568 557389694 /nfs/dbraw/zinc/38/96/94/557389694.db2.gz LDNOEDBPXLUFCK-GVAUOCQISA-N 0 3 440.543 5.344 40 0 IKABHN O=C(NCc1cccc2ccccc21)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000222880156 557397227 /nfs/dbraw/zinc/39/72/27/557397227.db2.gz XTVOLDBTDDRGEQ-UHFFFAOYSA-N 0 3 448.610 6.225 40 0 IKABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc2ccccc2c1 ZINC000013998236 557402573 /nfs/dbraw/zinc/40/25/73/557402573.db2.gz MHTQWLGQZQJDEI-RRPNLBNLSA-N 0 3 439.555 5.377 40 0 IKABHN C[C@@H]1CC[C@H]2[C@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)OCN2C1 ZINC000118915993 557405770 /nfs/dbraw/zinc/40/57/70/557405770.db2.gz GRMUAQMHJKQVFL-OQJVWNQQSA-N 0 3 427.673 5.629 40 0 IKABHN Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)C2ON1c1ccccc1 ZINC000101161587 557408999 /nfs/dbraw/zinc/40/89/99/557408999.db2.gz UMZFKDLJITZBCJ-GSDHBNRESA-N 0 3 434.495 5.199 40 0 IKABHN CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000223123474 557434841 /nfs/dbraw/zinc/43/48/41/557434841.db2.gz XFEFREDSUKETQO-NOZRDPDXSA-N 0 3 425.016 5.698 40 0 IKABHN COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1C(C)C ZINC000223367649 557463486 /nfs/dbraw/zinc/46/34/86/557463486.db2.gz NLTIXJDTXBSUFV-TZIWHRDSSA-N 0 3 443.031 5.870 40 0 IKABHN COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1C(C)C ZINC000223367709 557463558 /nfs/dbraw/zinc/46/35/58/557463558.db2.gz NLTIXJDTXBSUFV-PZJWPPBQSA-N 0 3 443.031 5.870 40 0 IKABHN COCCNCc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000016194390 557470623 /nfs/dbraw/zinc/47/06/23/557470623.db2.gz VERLCSFLDAWPSG-UHFFFAOYSA-N 0 3 449.172 5.080 40 0 IKABHN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1 ZINC000017097140 557478390 /nfs/dbraw/zinc/47/83/90/557478390.db2.gz XNALGOFWWWYRGY-QGZVFWFLSA-N 0 3 430.573 6.803 40 0 IKABHN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000017097755 557479772 /nfs/dbraw/zinc/47/97/72/557479772.db2.gz MILXOVQCVIVBDC-OVCLIPMQSA-N 0 3 431.967 5.314 40 0 IKABHN O=C1C2=C(C(=O)N1c1ccc(Cl)cc1)C(c1ccc(O)cc1)Nc1ccccc1S2 ZINC000017099237 557482409 /nfs/dbraw/zinc/48/24/09/557482409.db2.gz ITFCLETXCQQVRB-FQEVSTJZSA-N 0 3 434.904 5.132 40 0 IKABHN CCc1ccc(N2C(=O)C3=C(C2=O)C(c2ccc(OC)cc2)Nc2ccccc2S3)cc1 ZINC000019636388 557502872 /nfs/dbraw/zinc/50/28/72/557502872.db2.gz AOJQUHMGWASZER-HSZRJFAPSA-N 0 3 442.540 5.344 40 0 IKABHN CCc1ccc(N2C(=O)C3=C(C2=O)C(c2cccc(Cl)c2)Nc2ccccc2S3)cc1 ZINC000019645478 557504817 /nfs/dbraw/zinc/50/48/17/557504817.db2.gz MUALGBYQUYFRHU-JOCHJYFZSA-N 0 3 446.959 5.989 40 0 IKABHN CC(C)c1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000020241891 557519428 /nfs/dbraw/zinc/51/94/28/557519428.db2.gz SLVTXFAZAHXRGO-UHFFFAOYSA-N 0 3 426.604 6.517 40 0 IKABHN CCCCC[C@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004099982 557531169 /nfs/dbraw/zinc/53/11/69/557531169.db2.gz INXGAHHQCIHNOR-ZHTHUIBPSA-N 0 3 443.631 6.897 40 0 IKABHN COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)[C@H](C)C(O)(Cc3ccccc3)[C@@H]2C)cc1 ZINC000004144002 557531344 /nfs/dbraw/zinc/53/13/44/557531344.db2.gz BTUTYNXWDXRDAN-WHTOPFKPSA-N 0 3 431.576 5.335 40 0 IKABHN CC[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(OC)c(C)c1 ZINC000224066645 557554483 /nfs/dbraw/zinc/55/44/83/557554483.db2.gz LYSIHNLEWZUBKE-AREMUKBSSA-N 0 3 428.576 5.443 40 0 IKABHN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1C ZINC000224260054 557582087 /nfs/dbraw/zinc/58/20/87/557582087.db2.gz GIILFJAXNVQRPR-DNQXCXABSA-N 0 3 425.561 5.061 40 0 IKABHN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1c1ccc(Cl)cc1 ZINC000224457059 557608368 /nfs/dbraw/zinc/60/83/68/557608368.db2.gz CTVKSMXDDASFJZ-YADHBBJMSA-N 0 3 431.952 5.098 40 0 IKABHN CCc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000224570563 557625374 /nfs/dbraw/zinc/62/53/74/557625374.db2.gz DKWMKPHRRXQCPW-HSZRJFAPSA-N 0 3 440.631 6.195 40 0 IKABHN COc1ccc(/C=C(/C(=O)NCc2ccccc2CN2CCCCC2)c2ccccc2)cc1 ZINC000224807358 557653593 /nfs/dbraw/zinc/65/35/93/557653593.db2.gz XFAACQASRHZGOB-VFCFBJKWSA-N 0 3 440.587 5.538 40 0 IKABHN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000224940252 557669426 /nfs/dbraw/zinc/66/94/26/557669426.db2.gz YWYSLHGQPGIGOV-UHFFFAOYSA-N 0 3 425.576 5.488 40 0 IKABHN CC(C)n1c(=O)sc2cc(NC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)ccc21 ZINC000225174848 557696332 /nfs/dbraw/zinc/69/63/32/557696332.db2.gz UFHSYTSSRRAVJV-KRWDZBQOSA-N 0 3 444.000 5.148 40 0 IKABHN Cc1nc(-c2cccc(NC(=S)NCCNc3cc(C)nc4ccc(C)cc43)c2)cs1 ZINC000225218745 557701516 /nfs/dbraw/zinc/70/15/16/557701516.db2.gz BZPRCXUGIMWQJZ-UHFFFAOYSA-N 0 3 447.633 5.682 40 0 IKABHN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225696087 557765574 /nfs/dbraw/zinc/76/55/74/557765574.db2.gz SSWPMWCNPMPNGS-UHFFFAOYSA-N 0 3 432.649 5.603 40 0 IKABHN CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225742130 557771550 /nfs/dbraw/zinc/77/15/50/557771550.db2.gz DLMYSAMEYKVPMB-UHFFFAOYSA-N 0 3 446.676 5.993 40 0 IKABHN CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000059108645 557820285 /nfs/dbraw/zinc/82/02/85/557820285.db2.gz KOZCEZUWXPTOAH-UHFFFAOYSA-N 0 3 443.591 5.440 40 0 IKABHN Fc1ccc(-c2cnc3n2C[C@H](CN(Cc2ccccc2)Cc2ccccc2)OC3)cc1 ZINC000096269296 560054242 /nfs/dbraw/zinc/05/42/42/560054242.db2.gz PASSIWRXIUORIO-VWLOTQADSA-N 0 3 427.523 5.290 40 0 biogenic,in-vitro IKABHN CC1=C[C@@H](CNCc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 ZINC000030883468 560089709 /nfs/dbraw/zinc/08/97/09/560089709.db2.gz KTFYHSPKPJAARM-JTAQYXEDSA-N 0 3 434.559 5.458 40 0 biogenic,in-vitro IKABHN Cc1nc([C@@]2(O)CCCN(Cc3ccccc3C)CC2)sc1CCOc1ccccc1 ZINC000019738684 568752586 /nfs/dbraw/zinc/75/25/86/568752586.db2.gz GQVVCNVFICLATI-AREMUKBSSA-N 0 3 436.621 5.255 40 0 IKABHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000002762495 568859469 /nfs/dbraw/zinc/85/94/69/568859469.db2.gz XKSWRUYYSKZLQA-AOYPEHQESA-N 0 3 446.978 5.676 40 0 IKABHN CCOc1ccc(CN2CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cc1CO ZINC000585176615 568873106 /nfs/dbraw/zinc/87/31/06/568873106.db2.gz VFIQRKOKWCNGDI-HSZRJFAPSA-N 0 3 434.555 5.082 40 0 IKABHN COc1ccc2c(c1)NC1(CCN(CCCC(=O)c3ccc(C)c(C)c3)CC1)c1cccn1-2 ZINC000057719447 568909134 /nfs/dbraw/zinc/90/91/34/568909134.db2.gz CDAOSMUFXIDEBT-UHFFFAOYSA-N 0 3 443.591 5.482 40 0 IKABHN COc1ccccc1[C@@H](c1c(C)c(C)sc1NC(=O)c1ccccc1)N1CCCCC1 ZINC000002546484 569097375 /nfs/dbraw/zinc/09/73/75/569097375.db2.gz VSYMACQIDUJEMB-DEOSSOPVSA-N 0 3 434.605 6.201 40 0 IKABHN CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCCCC2)cc1 ZINC000002546391 569097388 /nfs/dbraw/zinc/09/73/88/569097388.db2.gz DBZPIAHPFCUAOO-RUZDIDTESA-N 0 3 448.632 6.591 40 0 IKABHN COc1ccccc1[C@@H](c1c(C)c(C)sc1NC(=O)c1ccccc1)N1CCC(C)CC1 ZINC000002546479 569097515 /nfs/dbraw/zinc/09/75/15/569097515.db2.gz LXOIWOFNGLBLAG-VWLOTQADSA-N 0 3 448.632 6.447 40 0 IKABHN Cc1ccccc1CN1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 ZINC000009062972 569219776 /nfs/dbraw/zinc/21/97/76/569219776.db2.gz NVHSHFUFPRPUAP-UHFFFAOYSA-N 0 3 446.978 5.730 40 0 IKABHN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1 ZINC000010367150 569224023 /nfs/dbraw/zinc/22/40/23/569224023.db2.gz QWDCNSUESRNJFZ-FQEVSTJZSA-N 0 3 427.548 5.026 40 0 IKABHN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1 ZINC000010367157 569224029 /nfs/dbraw/zinc/22/40/29/569224029.db2.gz QWDCNSUESRNJFZ-HXUWFJFHSA-N 0 3 427.548 5.026 40 0 IKABHN CCOc1cc2c(cc1CN1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCC2 ZINC000019532465 569226774 /nfs/dbraw/zinc/22/67/74/569226774.db2.gz HPMDLLFMLUYPQP-ATIYNZHBSA-N 0 3 449.639 5.085 40 0 IKABHN COc1ccc2cc(CN3CCC[C@H]([C@@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2c1 ZINC000019563989 569226945 /nfs/dbraw/zinc/22/69/45/569226945.db2.gz VNGZSACNXGYWPK-RPLLCQBOSA-N 0 3 443.591 5.113 40 0 IKABHN COc1ccc2cc(CN3CCC[C@@H]([C@@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2c1 ZINC000019563986 569226950 /nfs/dbraw/zinc/22/69/50/569226950.db2.gz VNGZSACNXGYWPK-SHQCIBLASA-N 0 3 443.591 5.113 40 0 IKABHN CC(C)COc1ccccc1CN1CC[C@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000019702531 569232078 /nfs/dbraw/zinc/23/20/78/569232078.db2.gz NGUZYUPIUPVIQS-IBGZPJMESA-N 0 3 437.609 5.022 40 0 IKABHN CC(C)n1cc(CN2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)c2ccc(F)cc21 ZINC000019702599 569232178 /nfs/dbraw/zinc/23/21/78/569232178.db2.gz MRKXAGANNUEXDG-HNNXBMFYSA-N 0 3 436.556 5.059 40 0 IKABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(F)cc1 ZINC000019713384 569235569 /nfs/dbraw/zinc/23/55/69/569235569.db2.gz ZLYUXQLBMUDZOH-AOYPEHQESA-N 0 3 440.607 5.156 40 0 IKABHN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044855328 569249199 /nfs/dbraw/zinc/24/91/99/569249199.db2.gz OAAGBHZUELTVFN-SIKLNZKXSA-N 0 3 426.988 5.279 40 0 IKABHN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)c(C)c1 ZINC000017823148 569265489 /nfs/dbraw/zinc/26/54/89/569265489.db2.gz SEPGHCCRPAHPBO-VJBWXMMDSA-N 0 3 432.907 5.008 40 0 IKABHN COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1cccs1)N2Cc1ccccc1 ZINC000245227912 569269472 /nfs/dbraw/zinc/26/94/72/569269472.db2.gz YMAUOWKZFNZVSE-AXJZPPOTSA-N 0 3 433.573 5.503 40 0 IKABHN O[C@@H](CN1CCCCC1)CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000247801665 569269973 /nfs/dbraw/zinc/26/99/73/569269973.db2.gz WEOJIUMBVVUGJJ-WNCULLNHSA-N 0 3 435.656 5.229 40 0 IKABHN COc1ccc2c(CN3CCC(c4ccc(Cc5ccc(F)cc5)cn4)CC3)cn(C)c2c1 ZINC000257214656 569275987 /nfs/dbraw/zinc/27/59/87/569275987.db2.gz CMWMVSCLCAMFSL-UHFFFAOYSA-N 0 3 443.566 5.691 40 0 IKABHN CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2cccnc2)CC1 ZINC000257217927 569276231 /nfs/dbraw/zinc/27/62/31/569276231.db2.gz DBDKQIAVNKSJJY-UHFFFAOYSA-N 0 3 433.621 5.160 40 0 IKABHN CCn1cc(CN2CCC[C@H]2c2ccc(Cc3ccc(F)cc3)cn2)c2ccc(F)cc21 ZINC000257240494 569276903 /nfs/dbraw/zinc/27/69/03/569276903.db2.gz HTTBTFYFFDGAFA-SANMLTNESA-N 0 3 431.530 6.262 40 0 IKABHN CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2cccc(C)n2)CC1 ZINC000257274545 569277663 /nfs/dbraw/zinc/27/76/63/569277663.db2.gz NLMUTVLTAVWWTC-UHFFFAOYSA-N 0 3 447.648 5.470 40 0 IKABHN CN(C)C(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccccc2Cl)CC1 ZINC000257285751 569278109 /nfs/dbraw/zinc/27/81/09/569278109.db2.gz PIQIYXUUNNBZHP-UHFFFAOYSA-N 0 3 448.010 5.315 40 0 IKABHN O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3ccc(-c4ccccc4)cc3)C2)no1 ZINC000257286183 569278114 /nfs/dbraw/zinc/27/81/14/569278114.db2.gz PKQFCRNCZRHSLT-XMMPIXPASA-N 0 3 443.591 5.784 40 0 IKABHN CC(C)NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cccc(F)c2)CC1 ZINC000257288918 569278131 /nfs/dbraw/zinc/27/81/31/569278131.db2.gz PWFRPDCTMGRKLX-UHFFFAOYSA-N 0 3 445.582 5.237 40 0 IKABHN COc1ccccc1-c1ccccc1CN1C[C@@H](c2ccccc2F)[C@]2(C1)CCCC(=O)N2 ZINC000257289902 569278249 /nfs/dbraw/zinc/27/82/49/569278249.db2.gz QASIACMOVUWETM-RBJSKKJNSA-N 0 3 444.550 5.140 40 0 IKABHN COc1cccc(Cc2ccc([C@@H]3CCCN(Cc4cn(C)c5ccc(F)cc45)C3)nc2)c1 ZINC000257296207 569278417 /nfs/dbraw/zinc/27/84/17/569278417.db2.gz RBSBXPPBZSSJIS-JOCHJYFZSA-N 0 3 443.566 5.691 40 0 IKABHN COc1ccccc1-c1cccc(CN2C[C@@H](c3ccccc3F)[C@]3(C2)CCCC(=O)N3)c1 ZINC000257304744 569278694 /nfs/dbraw/zinc/27/86/94/569278694.db2.gz SMZNWSMDAAEBIH-RBJSKKJNSA-N 0 3 444.550 5.140 40 0 IKABHN COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4ccc5ncccc5c4)C3)c2)c1 ZINC000257307260 569278734 /nfs/dbraw/zinc/27/87/34/569278734.db2.gz SXXDHPAIEAISST-NRFANRHFSA-N 0 3 438.531 5.320 40 0 IKABHN Cc1c(C(=O)N2CC[C@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)oc2c1C(=O)CCC2 ZINC000257317226 569279086 /nfs/dbraw/zinc/27/90/86/569279086.db2.gz VIWVPCYLEQKLLS-KRWDZBQOSA-N 0 3 447.510 5.323 40 0 IKABHN CC(=O)Nc1ccc(CN2CCC[C@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)cc1 ZINC000257320296 569279101 /nfs/dbraw/zinc/27/91/01/569279101.db2.gz VWCNGAHCFKDSLR-FQEVSTJZSA-N 0 3 435.597 5.237 40 0 IKABHN CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC000257332745 569279554 /nfs/dbraw/zinc/27/95/54/569279554.db2.gz XYMLOJHRWYZXQU-HXUWFJFHSA-N 0 3 429.589 5.577 40 0 IKABHN CCC1(CC)C[C@@H](NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000260843355 569281828 /nfs/dbraw/zinc/28/18/28/569281828.db2.gz QSSYGAMKRJMJQA-NZQKXSOJSA-N 0 3 441.015 5.751 40 0 IKABHN C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000260833525 569281945 /nfs/dbraw/zinc/28/19/45/569281945.db2.gz XQWZMEHORIKUKF-RDJZCZTQSA-N 0 3 447.804 5.292 40 0 IKABHN CC(C)C[C@@H]1N[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)Cc2c[nH]c3cccc1c23 ZINC000049171435 291397084 /nfs/dbraw/zinc/39/70/84/291397084.db2.gz BZNPQJLJARDKRA-SFTDATJTSA-N 0 3 429.486 5.105 40 0 biogenic,in-vitro IKABHN CCN(CC)CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000022075468 520687064 /nfs/dbraw/zinc/68/70/64/520687064.db2.gz LAPCINOVRMVETI-UHFFFAOYSA-N 0 3 425.798 5.113 40 0 IKABHN CCOc1cc(CNC(C)(C)CO)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022074140 520706917 /nfs/dbraw/zinc/70/69/17/520706917.db2.gz KBKDVDWTBRACMQ-UHFFFAOYSA-N 0 3 432.775 5.485 40 0 IKABHN CCOc1cc(CNCc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022076771 520722707 /nfs/dbraw/zinc/72/27/07/520722707.db2.gz HDILEOBUMLXBCB-UHFFFAOYSA-N 0 3 446.374 6.270 40 0 IKABHN CCOc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000022076698 520722774 /nfs/dbraw/zinc/72/27/74/520722774.db2.gz IDUPGIPFIGWFFS-UHFFFAOYSA-N 0 3 430.375 6.569 40 0 IKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)cc2)CC1 ZINC000020454906 521023177 /nfs/dbraw/zinc/02/31/77/521023177.db2.gz RQBZVQJYWWXDIU-UHFFFAOYSA-N 0 3 433.596 5.187 40 0 IKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(CSc4ccccc4)cc3)cc2)CC1 ZINC000022527954 521023573 /nfs/dbraw/zinc/02/35/73/521023573.db2.gz PAZLODJYHCKUHE-UHFFFAOYSA-N 0 3 430.617 6.463 40 0 IKABHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000022074185 522473295 /nfs/dbraw/zinc/47/32/95/522473295.db2.gz WIFIVMIGEPWVTQ-INIZCTEOSA-N 0 3 444.344 6.027 40 0 IKABHN COc1cc2cccnc2c(NCCCCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000022469012 523061523 /nfs/dbraw/zinc/06/15/23/523061523.db2.gz ODYGOPWVQBFLGX-UHFFFAOYSA-N 0 3 432.612 5.034 40 0 IKABHN O=C([C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1)N1CCC(Cc2ccccc2)CC1 ZINC000020521951 526467757 /nfs/dbraw/zinc/46/77/57/526467757.db2.gz JQUDXHRYILULGK-HSZRJFAPSA-N 0 3 444.541 5.399 40 0 IKABHN Clc1ccc(COc2ccc(Cl)cc2CNCCc2c[nH]c3ccccc23)cc1 ZINC000016525338 526950919 /nfs/dbraw/zinc/95/09/19/526950919.db2.gz BZRYEWMVNFAOFM-UHFFFAOYSA-N 0 3 425.359 6.386 40 0 IKABHN c1ccc(-c2oc3ccc4ccccc4c3c2-c2ccc(OCCN3CCCC3)cc2)cc1 ZINC000001716418 555710659 /nfs/dbraw/zinc/71/06/59/555710659.db2.gz WVTGNUJIBOIUOM-UHFFFAOYSA-N 0 3 433.551 7.395 40 0 IKABHN O=C(C[C@H]1CCC[C@H](CC(=O)c2ccccc2)N1CCc1ccccc1)c1ccccc1 ZINC000005082448 556031619 /nfs/dbraw/zinc/03/16/19/556031619.db2.gz SUJNXAOXYNOELZ-KAYWLYCHSA-N 0 3 425.572 5.998 40 0 IKABHN CN(C)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000008616438 556192589 /nfs/dbraw/zinc/19/25/89/556192589.db2.gz VXCVWSOSZUBRFK-GOSISDBHSA-N 0 3 430.162 6.110 40 0 IKABHN C[C@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)C1(O)c1ccc(F)cc1 ZINC000008721044 556202814 /nfs/dbraw/zinc/20/28/14/556202814.db2.gz CRQSSISIXUBQTB-ZXQJKGHWSA-N 0 3 444.377 6.678 40 0 IKABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 ZINC000013713369 556285303 /nfs/dbraw/zinc/28/53/03/556285303.db2.gz LIEWMCGEEMYSGL-VABKMULXSA-N 0 3 432.907 5.008 40 0 IKABHN COc1ccc2c(c1)N[C@]1(COC3(C1)CCN(Cc1cccc(Cl)c1)CC3)c1cccn1-2 ZINC000012086189 556399666 /nfs/dbraw/zinc/39/96/66/556399666.db2.gz HPMNYLUYUDYCMP-AREMUKBSSA-N 0 3 449.982 5.215 40 0 IKABHN Cc1cc(CSc2ccccc2)ccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039751075 556438472 /nfs/dbraw/zinc/43/84/72/556438472.db2.gz DQSJWZFPSTYHKM-UHFFFAOYSA-N 0 3 448.607 6.277 40 0 IKABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(CSc4ccccc4)cc3)CC2)cc1 ZINC000039754086 556439112 /nfs/dbraw/zinc/43/91/12/556439112.db2.gz JMFRHDFGGGKELL-UHFFFAOYSA-N 0 3 430.617 6.138 40 0 IKABHN CCn1c2ccccc2c2cc(NC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)ccc21 ZINC000030945243 556516941 /nfs/dbraw/zinc/51/69/41/556516941.db2.gz YGGWKOAFXHPMOS-FQEVSTJZSA-N 0 3 445.994 6.319 40 0 IKABHN CCn1c2ccccc2c2cc(NC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)ccc21 ZINC000030945296 556516949 /nfs/dbraw/zinc/51/69/49/556516949.db2.gz NJVMFLNXVFSBEC-FQEVSTJZSA-N 0 3 429.539 5.804 40 0 IKABHN CC1=C(c2ccccc2)[C@H](c2ccccc2)C(/C=C/c2ccccc2)=NC=C1c1ccccc1 ZINC000031740087 556525774 /nfs/dbraw/zinc/52/57/74/556525774.db2.gz WNVFKEPKFBWOQI-UNMXYYQHSA-N 0 3 437.586 8.453 40 0 IKABHN O=C(NCCSCc1ccccc1F)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000013669600 556550366 /nfs/dbraw/zinc/55/03/66/556550366.db2.gz WTVCHRLWOSEIAT-UHFFFAOYSA-N 0 3 434.580 5.047 40 0 IKABHN COc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016195481 556589818 /nfs/dbraw/zinc/58/98/18/556589818.db2.gz NIFWAAXCOTWBHJ-NRFANRHFSA-N 0 3 432.347 5.404 40 0 IKABHN COc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016195809 556590147 /nfs/dbraw/zinc/59/01/47/556590147.db2.gz VGTHBOHCSMOTSO-NRFANRHFSA-N 0 3 432.347 5.404 40 0 IKABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1C ZINC000100846773 556597288 /nfs/dbraw/zinc/59/72/88/556597288.db2.gz JTNIFZSWZPIHRK-ZRBLBEILSA-N 0 3 432.907 5.008 40 0 IKABHN CC[C@@H]1c2c(cc(OC)c(O)c2Oc2cc3c(cc2OC)CCN(C)[C@H]3CC)CCN1C ZINC000036490801 556598147 /nfs/dbraw/zinc/59/81/47/556598147.db2.gz BOXBKGGQZPGMRE-VQTJNVASSA-N 0 3 440.584 5.080 40 0 IKABHN Fc1ccc(CCNCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000016401405 556605802 /nfs/dbraw/zinc/60/58/02/556605802.db2.gz DCAVFTRASSSTFA-UHFFFAOYSA-N 0 3 432.308 5.639 40 0 IKABHN Fc1ccccc1CCNCc1cc(Br)ccc1OCc1ccccc1F ZINC000016449533 556609249 /nfs/dbraw/zinc/60/92/49/556609249.db2.gz DQLGGTVOEICSIH-UHFFFAOYSA-N 0 3 432.308 5.639 40 0 IKABHN Fc1ccc(CCNCc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000016449994 556609269 /nfs/dbraw/zinc/60/92/69/556609269.db2.gz FZHJHFNLKNKRHK-UHFFFAOYSA-N 0 3 432.308 5.639 40 0 IKABHN CCCCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016638178 556619152 /nfs/dbraw/zinc/61/91/52/556619152.db2.gz LAWFOSFWEPIHCX-UHFFFAOYSA-N 0 3 445.228 7.005 40 0 IKABHN CCOC(=O)c1c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)sc2c1CCCC2 ZINC000038857848 556626015 /nfs/dbraw/zinc/62/60/15/556626015.db2.gz LSEMRQCIVVSUFF-UHFFFAOYSA-N 0 3 440.609 5.288 40 0 IKABHN CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016688459 556626333 /nfs/dbraw/zinc/62/63/33/556626333.db2.gz ZGEJKLMWDLOLRX-QFIPXVFZSA-N 0 3 446.374 5.794 40 0 IKABHN CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000016688512 556626403 /nfs/dbraw/zinc/62/64/03/556626403.db2.gz GLYCFNNXBRVHSD-JOCHJYFZSA-N 0 3 429.919 5.280 40 0 IKABHN CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000016688743 556627012 /nfs/dbraw/zinc/62/70/12/556627012.db2.gz JCYSSTZVGRHVSD-QFIPXVFZSA-N 0 3 429.919 5.280 40 0 IKABHN CCOc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016689130 556627035 /nfs/dbraw/zinc/62/70/35/556627035.db2.gz PYSYMHPTIWFJMJ-JOCHJYFZSA-N 0 3 446.374 5.794 40 0 IKABHN CCOc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016689132 556627105 /nfs/dbraw/zinc/62/71/05/556627105.db2.gz PYSYMHPTIWFJMJ-QFIPXVFZSA-N 0 3 446.374 5.794 40 0 IKABHN C[C@@H]([C@@H](O)c1ccccc1)N1CCC(N(C(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000016697369 556628763 /nfs/dbraw/zinc/62/87/63/556628763.db2.gz LFQIYONICSBQHG-WXVAWEFUSA-N 0 3 444.575 5.416 40 0 IKABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000101012085 556643332 /nfs/dbraw/zinc/64/33/32/556643332.db2.gz LIEWMCGEEMYSGL-VJBWXMMDSA-N 0 3 432.907 5.008 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000101071414 556653477 /nfs/dbraw/zinc/65/34/77/556653477.db2.gz GWFDKPXTLMKEHJ-DYXWJJEUSA-N 0 3 439.298 5.045 40 0 IKABHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1=O ZINC000013513647 556667329 /nfs/dbraw/zinc/66/73/29/556667329.db2.gz DNRSHPPENRRNNQ-PMVMPFDFSA-N 0 3 432.907 5.008 40 0 IKABHN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1Cl ZINC000044939771 556683297 /nfs/dbraw/zinc/68/32/97/556683297.db2.gz DLOFIEGWINUIQI-INIZCTEOSA-N 0 3 435.351 5.021 40 0 IKABHN CCOC(=O)C1=C(C)NC(SCc2ccccc2)=N[C@H]1c1cccc(Br)c1 ZINC000408985184 556686618 /nfs/dbraw/zinc/68/66/18/556686618.db2.gz ADDCNVXGJWPXIT-IBGZPJMESA-N 0 3 445.382 5.220 40 0 IKABHN C/C(=C\c1ccccc1)CN1CCC([C@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 ZINC000019014361 556691353 /nfs/dbraw/zinc/69/13/53/556691353.db2.gz QTXZMLCHLXHCIW-GGGSOPIKSA-N 0 3 439.603 5.297 40 0 IKABHN C/C(=C\c1ccccc1)CN1CCC([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 ZINC000019014359 556691433 /nfs/dbraw/zinc/69/14/33/556691433.db2.gz QTXZMLCHLXHCIW-AFDBTRFSSA-N 0 3 439.603 5.297 40 0 IKABHN COc1cc2c(cc1CN1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCCC2 ZINC000019081842 556696771 /nfs/dbraw/zinc/69/67/71/556696771.db2.gz NPLWUADKUOXYNA-BKMJKUGQSA-N 0 3 449.639 5.085 40 0 IKABHN CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 ZINC000019081967 556696860 /nfs/dbraw/zinc/69/68/60/556696860.db2.gz QSUNDQZKZQFYRI-ATIYNZHBSA-N 0 3 449.639 5.519 40 0 IKABHN CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000019082039 556697027 /nfs/dbraw/zinc/69/70/27/556697027.db2.gz ZMJZIXQAQHAMPH-AREMUKBSSA-N 0 3 449.639 5.519 40 0 IKABHN COc1cc2c(cc1CN1CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC1)CCCC2 ZINC000019082014 556697045 /nfs/dbraw/zinc/69/70/45/556697045.db2.gz GNZBKWQBIWCSPJ-SANMLTNESA-N 0 3 449.639 5.085 40 0 IKABHN COc1ccc(CN(Cc2ccncc2)Cc2ccc(C)cc2)cc1Cn1ccnc1C ZINC000019210160 556708825 /nfs/dbraw/zinc/70/88/25/556708825.db2.gz YIFOZAWHMZWOSY-UHFFFAOYSA-N 0 3 426.564 5.154 40 0 IKABHN Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000019294085 556733694 /nfs/dbraw/zinc/73/36/94/556733694.db2.gz ZNKGKJFHYMBIOU-OAQYLSRUSA-N 0 3 440.526 5.196 40 0 IKABHN Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000019294082 556733818 /nfs/dbraw/zinc/73/38/18/556733818.db2.gz OGAWKTOIIYBTRF-NRFANRHFSA-N 0 3 440.526 5.196 40 0 IKABHN FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@@H]3CCCN3C3CCSCC3)nn21 ZINC000019343872 556741777 /nfs/dbraw/zinc/74/17/77/556741777.db2.gz XJZNJZYECPMVLA-XYJFISCASA-N 0 3 442.576 5.637 40 0 IKABHN O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccs3)CC[C@H]21 ZINC000019347732 556743480 /nfs/dbraw/zinc/74/34/80/556743480.db2.gz RPPXJNVAYMNVMY-KCZVDYSFSA-N 0 3 426.582 5.079 40 0 IKABHN O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000019370898 556748468 /nfs/dbraw/zinc/74/84/68/556748468.db2.gz ISODBYSWWKPDCB-WNCULLNHSA-N 0 3 448.010 5.437 40 0 IKABHN CC(C)Oc1cccc(CN2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)c1 ZINC000019450838 556761607 /nfs/dbraw/zinc/76/16/07/556761607.db2.gz QEBJBSLJEHZYCP-RUZDIDTESA-N 0 3 449.620 5.314 40 0 IKABHN CCOc1ccc(CN2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cc1OC ZINC000019533788 556793619 /nfs/dbraw/zinc/79/36/19/556793619.db2.gz RGLJYFDMAVPPEH-INIZCTEOSA-N 0 3 449.473 5.337 40 0 IKABHN COc1ccccc1CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccsc1)CN2C(=O)C1CCCCC1 ZINC000019570534 556810328 /nfs/dbraw/zinc/81/03/28/556810328.db2.gz BINZODGKSNFZEI-WXFUMESZSA-N 0 3 438.637 5.154 40 0 IKABHN Cc1[nH]c2ccccc2c1[C@@H](O)CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2 ZINC000019581650 556819722 /nfs/dbraw/zinc/81/97/22/556819722.db2.gz SNFHUXMLVXTTSW-RPBOFIJWSA-N 0 3 442.559 5.014 40 0 IKABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 ZINC000019761754 556905325 /nfs/dbraw/zinc/90/53/25/556905325.db2.gz NZTQROPGBPFJIT-OAQYLSRUSA-N 0 3 447.627 5.004 40 0 IKABHN CC(C)Oc1ccc(CN2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000072330421 556905474 /nfs/dbraw/zinc/90/54/74/556905474.db2.gz PFRUPJQXTWCCGR-BWKNWUBXSA-N 0 3 449.620 5.314 40 0 IKABHN C/C(=C\c1ccccc1)CN1CCC[C@@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330449 556905781 /nfs/dbraw/zinc/90/57/81/556905781.db2.gz JOEJFBSVOQAJAR-VOUDCSDKSA-N 0 3 431.624 5.635 40 0 IKABHN Cc1ccsc1CN1CCC[C@H]([C@H](NC(=O)CCc2ccccc2)c2ccccn2)C1 ZINC000072330552 556906535 /nfs/dbraw/zinc/90/65/35/556906535.db2.gz HKPWKVCNGBNTTD-NVQXNPDNSA-N 0 3 433.621 5.154 40 0 IKABHN COc1ccc2cc(CN3CCC[C@H]([C@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2c1 ZINC000072330564 556906635 /nfs/dbraw/zinc/90/66/35/556906635.db2.gz VNGZSACNXGYWPK-IGKIAQTJSA-N 0 3 443.591 5.113 40 0 IKABHN CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2cccnc2)CC1 ZINC000072345089 556916599 /nfs/dbraw/zinc/91/65/99/556916599.db2.gz DYGRNKJDWKZATL-UHFFFAOYSA-N 0 3 433.621 5.161 40 0 IKABHN CC(C)n1cc(CN2CC[C@@H](c3c4cccnc4sc3C(=O)N(C)C)C2)c2ccccc21 ZINC000072352557 556924427 /nfs/dbraw/zinc/92/44/27/556924427.db2.gz YWGGLNMCNKHRFT-GOSISDBHSA-N 0 3 446.620 5.523 40 0 IKABHN COc1ccc(CN2CCC[C@@H]2c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000072354590 556929882 /nfs/dbraw/zinc/92/98/82/556929882.db2.gz KMPZGCHNYVPICN-HXUWFJFHSA-N 0 3 428.458 5.090 40 0 IKABHN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1Cc1c(C)nn(C(C)C)c1C ZINC000072370489 556935065 /nfs/dbraw/zinc/93/50/65/556935065.db2.gz RXUGEOFHMVEKEL-LJQANCHMSA-N 0 3 438.641 5.252 40 0 IKABHN Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072391339 556962013 /nfs/dbraw/zinc/96/20/13/556962013.db2.gz GWPUSDSGGLNEKR-FQEVSTJZSA-N 0 3 440.526 5.196 40 0 IKABHN CCc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000102737087 557132409 /nfs/dbraw/zinc/13/24/09/557132409.db2.gz ZVBJMQNTKVGGNM-KWXIBIRDSA-N 0 3 448.522 5.453 40 0 IKABHN Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000102709192 557133239 /nfs/dbraw/zinc/13/32/39/557133239.db2.gz SBXXZWYDZDXGMP-UODIDJSMSA-N 0 3 434.495 5.199 40 0 IKABHN C[C@H](c1ccccc1)N1C[C@@H](c2ccccc2)[C@@H]2C(=O)CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000095951564 557162690 /nfs/dbraw/zinc/16/26/90/557162690.db2.gz PNEZUKVPMORBBH-SRPRTCBCSA-N 0 3 434.580 5.042 40 0 IKABHN CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccc(C)s3)CC2)Oc2ccccc21 ZINC000096053471 557166809 /nfs/dbraw/zinc/16/68/09/557166809.db2.gz IDXGAJRDHXWCIQ-FQEVSTJZSA-N 0 3 426.626 5.216 40 0 IKABHN COc1ccc(CN2CCC(c3cc4c(ncn4C(C)C)c(N4CCCC4)n3)CC2)cc1 ZINC000096099996 557169311 /nfs/dbraw/zinc/16/93/11/557169311.db2.gz PSFROVXMBKJSER-UHFFFAOYSA-N 0 3 433.600 5.001 40 0 IKABHN COc1ccc(CN2CCC(c3cc4c(ncn4C)c(-c4ccc(OC)cc4)n3)CC2)cc1 ZINC000096099982 557169387 /nfs/dbraw/zinc/16/93/87/557169387.db2.gz SCZWCAADUUHWAQ-UHFFFAOYSA-N 0 3 442.563 5.032 40 0 IKABHN CC(C)n1cnc2c1cc(C1CCN(Cc3ccc(F)cc3)CC1)nc2-c1cccnc1 ZINC000096100012 557169447 /nfs/dbraw/zinc/16/94/47/557169447.db2.gz WTCXWEMHWILFHA-UHFFFAOYSA-N 0 3 429.543 5.593 40 0 IKABHN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)cc2)CC1 ZINC000022529139 557225054 /nfs/dbraw/zinc/22/50/54/557225054.db2.gz ABLCPOZNIDGTRE-ACCUITESSA-N 0 3 449.982 5.702 40 0 IKABHN C[C@@H]1C[C@H](C)CN(Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 ZINC000057740261 557257512 /nfs/dbraw/zinc/25/75/12/557257512.db2.gz MWBRWQVMOTXTMX-KDURUIRLSA-N 0 3 430.983 6.219 40 0 IKABHN CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1 ZINC000057774859 557264685 /nfs/dbraw/zinc/26/46/85/557264685.db2.gz PTWPLXVMNNTQFN-GGAORHGYSA-N 0 3 428.020 5.773 40 0 IKABHN COC(=O)c1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000219959658 557272254 /nfs/dbraw/zinc/27/22/54/557272254.db2.gz PNJACJKUFUBSTB-UHFFFAOYSA-N 0 3 442.559 5.180 40 0 IKABHN CSc1cccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000219959835 557272330 /nfs/dbraw/zinc/27/23/30/557272330.db2.gz YBWUZHXDSRHZSA-UHFFFAOYSA-N 0 3 430.617 6.116 40 0 IKABHN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000219960055 557272343 /nfs/dbraw/zinc/27/23/43/557272343.db2.gz GUVBUXVSXSGSSK-UHFFFAOYSA-N 0 3 442.559 5.165 40 0 IKABHN CN(CCNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000219962775 557272538 /nfs/dbraw/zinc/27/25/38/557272538.db2.gz LTSGDUSKSYVLPH-UHFFFAOYSA-N 0 3 441.619 5.008 40 0 IKABHN O=C(NCCCc1ccccc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000219962332 557272635 /nfs/dbraw/zinc/27/26/35/557272635.db2.gz PCLXWIMHIROFLH-UHFFFAOYSA-N 0 3 426.604 5.504 40 0 IKABHN O=C(NCCCc1ccc(F)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000219962149 557272656 /nfs/dbraw/zinc/27/26/56/557272656.db2.gz HUFUXJOXSYOYMN-UHFFFAOYSA-N 0 3 444.594 5.643 40 0 IKABHN Cc1ccc(OCCNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000219962252 557272713 /nfs/dbraw/zinc/27/27/13/557272713.db2.gz XRVODWIDYJIJLS-UHFFFAOYSA-N 0 3 442.603 5.259 40 0 IKABHN CN1CCC(N(Cc2ccco2)C(=O)c2cc3sccc3n2Cc2ccccc2)CC1 ZINC000013083068 557276465 /nfs/dbraw/zinc/27/64/65/557276465.db2.gz WIVVZJORPARBJQ-UHFFFAOYSA-N 0 3 433.577 5.081 40 0 IKABHN Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)C2ON1c1ccccc1 ZINC000101220509 557279391 /nfs/dbraw/zinc/27/93/91/557279391.db2.gz IRKTWDNRKMSRGK-GSDHBNRESA-N 0 3 434.495 5.199 40 0 IKABHN COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3)[C@H](C)C(O)(Cc3ccccc3)[C@@H]2C)cc1 ZINC000102710820 557305876 /nfs/dbraw/zinc/30/58/76/557305876.db2.gz BTUTYNXWDXRDAN-FYSOTKFNSA-N 0 3 431.576 5.335 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102736700 557306894 /nfs/dbraw/zinc/30/68/94/557306894.db2.gz QDBHHIFPYJLHRN-HKBOAZHASA-N 0 3 439.298 5.045 40 0 IKABHN CC(C)(C)c1ccc(C(=O)c2c(NC(=O)CNC3CCCC3)sc3c2CCCC3)cc1 ZINC000013511927 557332554 /nfs/dbraw/zinc/33/25/54/557332554.db2.gz JKRSEWKMHUBXBC-UHFFFAOYSA-N 0 3 438.637 5.626 40 0 IKABHN Cc1ccc(CNCc2cc3c(C(C)(C)C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1 ZINC000013564682 557341008 /nfs/dbraw/zinc/34/10/08/557341008.db2.gz JDDOUDZSESCJMU-UHFFFAOYSA-N 0 3 434.971 5.263 40 0 IKABHN CC[C@@H](NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(C)cc1 ZINC000113959000 557381819 /nfs/dbraw/zinc/38/18/19/557381819.db2.gz TWVTXWMBCDRRNR-GDLZYMKVSA-N 0 3 440.631 6.331 40 0 IKABHN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000113958857 557381870 /nfs/dbraw/zinc/38/18/70/557381870.db2.gz FEGIODQEQKCSOY-HSZRJFAPSA-N 0 3 426.604 5.941 40 0 IKABHN C[C@H]1CC[C@H]2[C@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)OCN2C1 ZINC000118915995 557405816 /nfs/dbraw/zinc/40/58/16/557405816.db2.gz GRMUAQMHJKQVFL-UADDZZBXSA-N 0 3 427.673 5.629 40 0 IKABHN C[C@H]1CC[C@@H]2[C@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)OCN2C1 ZINC000118915991 557405833 /nfs/dbraw/zinc/40/58/33/557405833.db2.gz GRMUAQMHJKQVFL-YKFKSESESA-N 0 3 427.673 5.629 40 0 IKABHN [O-]c1ccc(/C=C/c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)[o+]3)cc2)cc1 ZINC000025694437 557410135 /nfs/dbraw/zinc/41/01/35/557410135.db2.gz GRCMPWDXDVUTIZ-VAWYXSNFSA-O 0 3 427.523 8.438 40 0 IKABHN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)CC1 ZINC000014273667 557433258 /nfs/dbraw/zinc/43/32/58/557433258.db2.gz PAXVWHZDCLLAMK-UHFFFAOYSA-N 0 3 444.362 5.648 40 0 IKABHN COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C(C)C ZINC000223367845 557463495 /nfs/dbraw/zinc/46/34/95/557463495.db2.gz VAHQGKNMOUPOEW-PZJWPPBQSA-N 0 3 426.576 5.356 40 0 IKABHN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223415625 557469214 /nfs/dbraw/zinc/46/92/14/557469214.db2.gz HFVFXBNYUPWBQQ-UHFFFAOYSA-N 0 3 432.523 6.397 40 0 IKABHN CCOc1cc(CNCc2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000016688622 557475478 /nfs/dbraw/zinc/47/54/78/557475478.db2.gz RLCANVNQOAMEIP-UHFFFAOYSA-N 0 3 426.354 5.717 40 0 IKABHN CCc1ccc(N2C(=O)C3=C(C2=O)C(c2ccc(F)cc2)Nc2ccccc2S3)cc1 ZINC000017096923 557477861 /nfs/dbraw/zinc/47/78/61/557477861.db2.gz NQTHHMOVWIUFCK-QFIPXVFZSA-N 0 3 430.504 5.475 40 0 IKABHN Cc1cccc(N2C(=O)C3=C(C2=O)C(c2ccc(Cl)cc2)Nc2ccccc2S3)c1 ZINC000017098243 557480612 /nfs/dbraw/zinc/48/06/12/557480612.db2.gz MQAXJEWOMVBLAE-NRFANRHFSA-N 0 3 432.932 5.735 40 0 IKABHN COc1ccc(OC)c(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000020241908 557519477 /nfs/dbraw/zinc/51/94/77/557519477.db2.gz IILBTPSBKSWBAS-UHFFFAOYSA-N 0 3 444.575 5.411 40 0 IKABHN Cc1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1Cl ZINC000224119932 557563875 /nfs/dbraw/zinc/56/38/75/557563875.db2.gz ZXNIFXQVHYQOLD-UHFFFAOYSA-N 0 3 434.967 5.016 40 0 IKABHN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1C ZINC000224259920 557581990 /nfs/dbraw/zinc/58/19/90/557581990.db2.gz GIILFJAXNVQRPR-ZEQRLZLVSA-N 0 3 425.561 5.061 40 0 IKABHN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 ZINC000224327460 557592277 /nfs/dbraw/zinc/59/22/77/557592277.db2.gz PTXVWRXNTXWPAH-BJKOFHAPSA-N 0 3 425.561 5.007 40 0 IKABHN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 ZINC000224359936 557597772 /nfs/dbraw/zinc/59/77/72/557597772.db2.gz AGCWCNFGRILBDD-JWQCQUIFSA-N 0 3 439.588 5.568 40 0 IKABHN CCC1(CC)C[C@H](NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000224389285 557600541 /nfs/dbraw/zinc/60/05/41/557600541.db2.gz QSSYGAMKRJMJQA-OFNKIYASSA-N 0 3 441.015 5.751 40 0 IKABHN O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccccc1CN1CCCCC1 ZINC000224849450 557658553 /nfs/dbraw/zinc/65/85/53/557658553.db2.gz QWYJBNILNPDAEE-UHFFFAOYSA-N 0 3 437.436 5.529 40 0 IKABHN O=C(NCCSC1CCCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000225384026 557717022 /nfs/dbraw/zinc/71/70/22/557717022.db2.gz NSCPWSKHPYHEMT-UHFFFAOYSA-N 0 3 436.665 5.547 40 0 IKABHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccccc2Cl)CCCC1 ZINC000225525957 557735941 /nfs/dbraw/zinc/73/59/41/557735941.db2.gz NLRDTXQYGYNEEP-UHFFFAOYSA-N 0 3 426.988 5.655 40 0 IKABHN Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCC(C)CC4)cc3)CCCCC2)c1 ZINC000225539746 557738924 /nfs/dbraw/zinc/73/89/24/557738924.db2.gz ICSRYOKPJJXXJB-UHFFFAOYSA-N 0 3 434.624 5.946 40 0 IKABHN Cc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)s2)cc1 ZINC000225749786 557772635 /nfs/dbraw/zinc/77/26/35/557772635.db2.gz JGWKLJLGJVRZMR-UHFFFAOYSA-N 0 3 440.572 5.324 40 0 IKABHN CCCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000059108647 557820248 /nfs/dbraw/zinc/82/02/48/557820248.db2.gz IMKYIEDKBBPXPP-UHFFFAOYSA-N 0 3 429.564 5.050 40 0 IKABHN CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000059108648 557820272 /nfs/dbraw/zinc/82/02/72/557820272.db2.gz XMQRBQRURAONLH-UHFFFAOYSA-N 0 3 443.591 5.440 40 0 IKABHN C[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)CN(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000061967353 557829497 /nfs/dbraw/zinc/82/94/97/557829497.db2.gz LBMQWGLSKLHDSA-ONEAYSBLSA-N 0 3 445.606 7.163 40 0 IKABHN Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@H]3C[C@@]4(C)CCC[C@@H](C)C4=C[C@@H]23)CC1 ZINC000063720234 557832567 /nfs/dbraw/zinc/83/25/67/557832567.db2.gz RSUMDFBTCAAZNY-MQLOMMGFSA-N 0 3 443.031 5.085 40 0 IKABHN Cc1nn(Cc2cccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)c2)c(C)c1Cl ZINC000008816363 568793544 /nfs/dbraw/zinc/79/35/44/568793544.db2.gz RIGIHFFODRMCNJ-UHFFFAOYSA-N 0 3 436.987 5.440 40 0 IKABHN CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(Cc2ccncc2)CC1 ZINC000585166514 568872942 /nfs/dbraw/zinc/87/29/42/568872942.db2.gz QHSJLXKLTDMNGR-UHFFFAOYSA-N 0 3 427.592 5.018 40 0 IKABHN Cc1nc([C@@]2(O)CCCN(Cc3ccccc3)CC2)sc1CCOc1ccc(F)cc1 ZINC000585260849 568873679 /nfs/dbraw/zinc/87/36/79/568873679.db2.gz XCGGNQGBECOWIH-RUZDIDTESA-N 0 3 440.584 5.086 40 0 IKABHN FC(F)(F)c1nc(-c2cc(C3CCN(c4ccnc5ccccc54)CC3)ccn2)no1 ZINC000585266752 568874206 /nfs/dbraw/zinc/87/42/06/568874206.db2.gz GSIPKPDRKBLTAS-UHFFFAOYSA-N 0 3 425.414 5.083 40 0 IKABHN C1CCC[C@H]2CCCN3CC[C@H](CCCCCC[C@H]4CCCN5CC[C@@H](CC1)O[C@H]45)O[C@H]23 ZINC000027645192 568905402 /nfs/dbraw/zinc/90/54/02/568905402.db2.gz PQYOPBRFUUEHRC-SCUYQTRWSA-N 0 3 446.720 6.335 40 0 in-vitro IKABHN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccc(F)c2)N2CCC(C)CC2)c1C ZINC000002546538 569097470 /nfs/dbraw/zinc/09/74/70/569097470.db2.gz WRJCAZWZHRAVKZ-DEOSSOPVSA-N 0 3 436.596 6.578 40 0 IKABHN COc1ccccc1[C@H](c1c(C)c(C)sc1NC(=O)c1ccccc1)N1CCC(C)CC1 ZINC000002546477 569097474 /nfs/dbraw/zinc/09/74/74/569097474.db2.gz LXOIWOFNGLBLAG-RUZDIDTESA-N 0 3 448.632 6.447 40 0 IKABHN COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCCCC2)c1 ZINC000002589869 569125137 /nfs/dbraw/zinc/12/51/37/569125137.db2.gz NYSWSIFFJTUCHC-DEOSSOPVSA-N 0 3 434.605 6.201 40 0 IKABHN COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCC(C)CC2)c1 ZINC000002589871 569125143 /nfs/dbraw/zinc/12/51/43/569125143.db2.gz CIZCPAGYUCMLFA-VWLOTQADSA-N 0 3 448.632 6.447 40 0 IKABHN COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCCCC2)c1 ZINC000002589868 569125151 /nfs/dbraw/zinc/12/51/51/569125151.db2.gz NYSWSIFFJTUCHC-XMMPIXPASA-N 0 3 434.605 6.201 40 0 IKABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC2)c1 ZINC000009063078 569219800 /nfs/dbraw/zinc/21/98/00/569219800.db2.gz OKXPUZWZCBKQBJ-UHFFFAOYSA-N 0 3 446.978 5.730 40 0 IKABHN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 ZINC000010363706 569223809 /nfs/dbraw/zinc/22/38/09/569223809.db2.gz GXWKKFCRNOKEJG-OAQYLSRUSA-N 0 3 441.575 5.416 40 0 IKABHN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCCCC2)cc1 ZINC000010434098 569224358 /nfs/dbraw/zinc/22/43/58/569224358.db2.gz RONPRRRSUOWSHS-UHFFFAOYSA-N 0 3 437.436 5.643 40 0 IKABHN C/C(=C\c1ccccc1)CN1CCC[C@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000019014387 569226142 /nfs/dbraw/zinc/22/61/42/569226142.db2.gz JOEJFBSVOQAJAR-CMTIOCDXSA-N 0 3 431.624 5.635 40 0 IKABHN C/C(=C\c1ccccc1)CN1CCC[C@@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000019014389 569226156 /nfs/dbraw/zinc/22/61/56/569226156.db2.gz NEXFORKBUORCEF-AMSKCWDJSA-N 0 3 439.603 5.297 40 0 IKABHN Cc1cccc(CN2CCC[C@H]([C@@H](NC(=O)CCc3ccccc3)c3ccccn3)C2)c1 ZINC000019234964 569226163 /nfs/dbraw/zinc/22/61/63/569226163.db2.gz HIXPCWQFYIIFFW-LBNVMWSVSA-N 0 3 427.592 5.092 40 0 IKABHN Cc1ccsc1CN1CCC[C@@H]([C@@H](NC(=O)CCc2ccccc2)c2ccccn2)C1 ZINC000019238616 569226449 /nfs/dbraw/zinc/22/64/49/569226449.db2.gz HKPWKVCNGBNTTD-ATIYNZHBSA-N 0 3 433.621 5.154 40 0 IKABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c(C)c1C ZINC000019577347 569227235 /nfs/dbraw/zinc/22/72/35/569227235.db2.gz BRZXNEAPIYYDAO-SQJMNOBHSA-N 0 3 449.620 5.152 40 0 IKABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccccc1C ZINC000019713383 569235672 /nfs/dbraw/zinc/23/56/72/569235672.db2.gz UMQVFMDSSVJCHZ-XNMGPUDCSA-N 0 3 436.644 5.325 40 0 IKABHN COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044937105 569249417 /nfs/dbraw/zinc/24/94/17/569249417.db2.gz RSIAANWTGKPVES-XUZZJYLKSA-N 0 3 429.004 5.464 40 0 IKABHN CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3ccccc3)N[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000257201816 569275557 /nfs/dbraw/zinc/27/55/57/569275557.db2.gz AJDJIFZTTODFMK-WTNAPCKOSA-N 0 3 440.950 5.256 40 0 IKABHN CC(C)(C)CN[C@H](C[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257205387 569275796 /nfs/dbraw/zinc/27/57/96/569275796.db2.gz AYUBXWZGDHGGBS-AUSIDOKSSA-N 0 3 434.455 6.510 40 0 IKABHN FC(F)(F)c1ccc(Cc2ccc(C3CCN(Cc4ccccc4Cl)CC3)nc2)cc1 ZINC000257207971 569275828 /nfs/dbraw/zinc/27/58/28/569275828.db2.gz BKDMEIWUOPNAIJ-UHFFFAOYSA-N 0 3 444.928 6.724 40 0 IKABHN CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3cccc(F)c3)N[C@H]2c2ccc(Cl)cc2)n1 ZINC000257222201 569276135 /nfs/dbraw/zinc/27/61/35/569276135.db2.gz DSIYCVIPDREGPU-BVSLBCMMSA-N 0 3 440.950 5.256 40 0 IKABHN Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCN4CCCC[C@@H]4C)CCOCC3)c2)c1 ZINC000257218711 569276196 /nfs/dbraw/zinc/27/61/96/569276196.db2.gz DEEYZDQDISGNMV-DEOSSOPVSA-N 0 3 448.651 5.300 40 0 IKABHN CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(Cc2ccncc2)CC1 ZINC000257219460 569276220 /nfs/dbraw/zinc/27/62/20/569276220.db2.gz DGWJXSARYOZTAH-UHFFFAOYSA-N 0 3 427.592 5.018 40 0 IKABHN CCOc1ccc(COC)cc1CN1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257219146 569276248 /nfs/dbraw/zinc/27/62/48/569276248.db2.gz DFUMHQMTJLBJAV-DEOSSOPVSA-N 0 3 448.582 5.736 40 0 IKABHN Cc1nc2c(C)cccn2c1CN1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257232491 569276620 /nfs/dbraw/zinc/27/66/20/569276620.db2.gz GLBROZWTOZYZMT-QHCPKHFHSA-N 0 3 428.555 5.456 40 0 IKABHN COc1cccc(Cc2ccc([C@H]3CCCN(Cc4ccc5c(c4)CC(C)(C)O5)C3)nc2)c1 ZINC000257234360 569276640 /nfs/dbraw/zinc/27/66/40/569276640.db2.gz GTEVURLXOGYNDD-DEOSSOPVSA-N 0 3 442.603 5.774 40 0 IKABHN CCn1cc(CN2CCC[C@@H]2c2ccc(Cc3cccc(OC)c3)cn2)c2ccc(F)cc21 ZINC000257237601 569276785 /nfs/dbraw/zinc/27/67/85/569276785.db2.gz HHFSUZPWDDYIEG-HHHXNRCGSA-N 0 3 443.566 6.132 40 0 IKABHN CCNc1nc(C)c(C(=O)N2CC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)s1 ZINC000257255054 569277330 /nfs/dbraw/zinc/27/73/30/569277330.db2.gz KFXDQBAPHSUQDC-MRXNPFEDSA-N 0 3 439.560 5.099 40 0 IKABHN Cn1cc(CN2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c2ccccc21 ZINC000257272951 569277627 /nfs/dbraw/zinc/27/76/27/569277627.db2.gz NEOPVZPRQGBNKS-SANMLTNESA-N 0 3 449.520 6.520 40 0 IKABHN CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(Cc2cccnc2)CC1 ZINC000257278510 569277779 /nfs/dbraw/zinc/27/77/79/569277779.db2.gz OCOAAHIKEPLTCY-UHFFFAOYSA-N 0 3 445.582 5.237 40 0 IKABHN CN(C)C(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2cccc(Cl)c2)CC1 ZINC000257290565 569278240 /nfs/dbraw/zinc/27/82/40/569278240.db2.gz QDLFRILDBSKCHN-UHFFFAOYSA-N 0 3 448.010 5.315 40 0 IKABHN COc1cccc2cc(CN3CC[C@@H](c4c5ccccc5sc4C(=O)N(C)C)C3)oc21 ZINC000257291281 569278252 /nfs/dbraw/zinc/27/82/52/569278252.db2.gz QGIWTMZVNLKQCK-QGZVFWFLSA-N 0 3 434.561 5.347 40 0 IKABHN CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(F)c2)CC1 ZINC000257307302 569278611 /nfs/dbraw/zinc/27/86/11/569278611.db2.gz SYCQDXKMGZADKE-UHFFFAOYSA-N 0 3 445.582 5.237 40 0 IKABHN CC1(C)Cc2cc(CN3CCC[C@H](c4ccc(Cc5cccc(F)c5)cn4)C3)ccc2O1 ZINC000257318819 569279084 /nfs/dbraw/zinc/27/90/84/569279084.db2.gz VPNBAEKUHTZFPY-QHCPKHFHSA-N 0 3 430.567 5.905 40 0 IKABHN CCn1ncc(CN2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)c1C ZINC000257324085 569279236 /nfs/dbraw/zinc/27/92/36/569279236.db2.gz WNCHGUDQOSKRAO-UHFFFAOYSA-N 0 3 442.529 5.596 40 0 IKABHN COc1cc2c(cc1CN1CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C1)CCC2 ZINC000257332304 569279563 /nfs/dbraw/zinc/27/95/63/569279563.db2.gz XWRUPDSOYWJZHA-DEOSSOPVSA-N 0 3 447.022 6.203 40 0 IKABHN CC1(C)Cc2cc(CN3CCC[C@@H](c4ccc(Cc5ccc(Cl)cc5)cn4)C3)ccc2O1 ZINC000257341670 569279819 /nfs/dbraw/zinc/27/98/19/569279819.db2.gz ZLJCORPCPZPWRO-HSZRJFAPSA-N 0 3 447.022 6.419 40 0 IKABHN CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2)CC1 ZINC000257343160 569279842 /nfs/dbraw/zinc/27/98/42/569279842.db2.gz ZRSQDHMTYJAADT-UHFFFAOYSA-N 0 3 427.592 5.098 40 0 IKABHN COc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1C(C)C ZINC000260934921 569281992 /nfs/dbraw/zinc/28/19/92/569281992.db2.gz NLTIXJDTXBSUFV-FPOVZHCZSA-N 0 3 443.031 5.870 40 0 IKABHN CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 ZINC000260949463 569282047 /nfs/dbraw/zinc/28/20/47/569282047.db2.gz XFEFREDSUKETQO-UKILVPOCSA-N 0 3 425.016 5.698 40 0 IKABHN CCCCCCC1(O)[C@@H](C)[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000009272006 569294968 /nfs/dbraw/zinc/29/49/68/569294968.db2.gz IOJSASXMHFMQDT-UGITZUONSA-N 0 3 434.451 7.353 40 0 IKABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(C(C)(C)C)cc3)[C@@H]2C1=O ZINC000009304730 569295302 /nfs/dbraw/zinc/29/53/02/569295302.db2.gz LNTRJTHXPKASLK-GVAUOCQISA-N 0 3 440.543 5.344 40 0 IKABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 ZINC000009319144 569295431 /nfs/dbraw/zinc/29/54/31/569295431.db2.gz MCAJYCWBANOJCU-XWGVYQGASA-N 0 3 446.934 5.316 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000009358280 569295818 /nfs/dbraw/zinc/29/58/18/569295818.db2.gz IBKYNEFOMSOAHD-HBMCJLEFSA-N 0 3 439.298 5.045 40 0 IKABHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1=O ZINC000009459791 569296420 /nfs/dbraw/zinc/29/64/20/569296420.db2.gz DNRSHPPENRRNNQ-WWNPGLIZSA-N 0 3 432.907 5.008 40 0 IKABHN O=C1[C@@H](C2CCN(Cc3ccc4ncccc4c3)CC2)CC=CCN1Cc1ccccc1 ZINC000019698508 569326847 /nfs/dbraw/zinc/32/68/47/569326847.db2.gz NDDQBASKISVIQB-AREMUKBSSA-N 0 3 425.576 5.052 40 0 IKABHN O=C1[C@H](C2CCN(Cc3cccc4ncccc34)CC2)CC=CCN1Cc1ccc(F)cc1 ZINC000019698446 569326959 /nfs/dbraw/zinc/32/69/59/569326959.db2.gz JYGPVYCAGXCNCT-SANMLTNESA-N 0 3 443.566 5.191 40 0 IKABHN Cc1nc([C@]2(O)CCCN(Cc3ccccc3C)CC2)sc1CCOc1ccccc1 ZINC000019738683 569328242 /nfs/dbraw/zinc/32/82/42/569328242.db2.gz GQVVCNVFICLATI-SANMLTNESA-N 0 3 436.621 5.255 40 0 IKABHN FC(F)(F)c1cccc(N2CCN(c3c4ccccc4nc4c3CCCCC4)CC2)c1 ZINC000001699188 132246370 /nfs/dbraw/zinc/24/63/70/132246370.db2.gz NDFHYNGHISPSMD-UHFFFAOYSA-N 0 3 425.498 5.849 40 0 IKABHN CCOc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022076721 520722317 /nfs/dbraw/zinc/72/23/17/520722317.db2.gz FICZABPEEARVQO-UHFFFAOYSA-N 0 3 430.375 6.569 40 0 IKABHN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1Cl ZINC000022516292 521514095 /nfs/dbraw/zinc/51/40/95/521514095.db2.gz KYUXOEINUKBZON-UHFFFAOYSA-N 0 3 448.950 5.327 40 0 IKABHN COc1cc(CNCc2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000022076717 522465685 /nfs/dbraw/zinc/46/56/85/522465685.db2.gz WZNQMYQMUHYAHJ-UHFFFAOYSA-N 0 3 444.344 5.774 40 0 IKABHN COc1cc(CN[C@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000022074187 522484592 /nfs/dbraw/zinc/48/45/92/522484592.db2.gz WIFIVMIGEPWVTQ-MRXNPFEDSA-N 0 3 444.344 6.027 40 0 IKABHN Cc1cc(I)ccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020459340 525013193 /nfs/dbraw/zinc/01/31/93/525013193.db2.gz HVVMQEHLISSRPK-UHFFFAOYSA-N 0 3 448.348 5.084 40 0 IKABHN CCCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000408575852 555926339 /nfs/dbraw/zinc/92/63/39/555926339.db2.gz NTKDNTNVNPZYCG-UHFFFAOYSA-N 0 3 442.559 5.454 40 0 IKABHN N[C@H](CCCCCCCCCCCC[C@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000005759565 556064813 /nfs/dbraw/zinc/06/48/13/556064813.db2.gz YITBJFFBJDRKLW-WMPKNSHKSA-N 0 3 436.640 6.088 40 0 IKABHN C[C@@H]1[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)C1(O)c1ccc(F)cc1 ZINC000008721045 556202807 /nfs/dbraw/zinc/20/28/07/556202807.db2.gz CRQSSISIXUBQTB-QOFKITFHSA-N 0 3 444.377 6.678 40 0 IKABHN C[C@@H](NC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000039773086 556437750 /nfs/dbraw/zinc/43/77/50/556437750.db2.gz NXVSTIMCRANIIG-OAQYLSRUSA-N 0 3 441.575 5.028 40 0 IKABHN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000030854486 556509834 /nfs/dbraw/zinc/50/98/34/556509834.db2.gz LIPRDQINGCBFRL-NDEPHWFRSA-N 0 3 442.603 5.771 40 0 IKABHN CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)ccc21 ZINC000030945241 556516981 /nfs/dbraw/zinc/51/69/81/556516981.db2.gz YGGWKOAFXHPMOS-HXUWFJFHSA-N 0 3 445.994 6.319 40 0 IKABHN COc1cc(CNCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016195461 556589808 /nfs/dbraw/zinc/58/98/08/556589808.db2.gz OSGLAQAENNCVLK-UHFFFAOYSA-N 0 3 446.772 5.980 40 0 IKABHN COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl ZINC000016196253 556590484 /nfs/dbraw/zinc/59/04/84/556590484.db2.gz WZYCDHQOAOPQRI-OAQYLSRUSA-N 0 3 432.347 5.404 40 0 IKABHN COc1ccc(CCNCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000016216609 556591930 /nfs/dbraw/zinc/59/19/30/556591930.db2.gz HUZSLCBHDSMFAV-UHFFFAOYSA-N 0 3 444.344 5.508 40 0 IKABHN COc1ccc(CCNCc2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000016216618 556591978 /nfs/dbraw/zinc/59/19/78/556591978.db2.gz OSUHNLNKZAPFJA-UHFFFAOYSA-N 0 3 426.354 5.369 40 0 IKABHN COc1ccc(CCNCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1OC ZINC000016227450 556593068 /nfs/dbraw/zinc/59/30/68/556593068.db2.gz FHYKSHAKNFNVMN-UHFFFAOYSA-N 0 3 446.374 5.922 40 0 IKABHN COc1cccc(CNCCc2ccccc2F)c1OCc1ccc(Cl)cc1Cl ZINC000016228252 556593517 /nfs/dbraw/zinc/59/35/17/556593517.db2.gz BNQWEMIQEWCZOR-UHFFFAOYSA-N 0 3 434.338 6.052 40 0 IKABHN COc1cccc(CNC[C@@H](O)c2ccccc2)c1OCc1ccc(Cl)cc1Cl ZINC000016228236 556593566 /nfs/dbraw/zinc/59/35/66/556593566.db2.gz DDSJKSACDUPIRZ-OAQYLSRUSA-N 0 3 432.347 5.404 40 0 IKABHN COc1ccc(CCNCc2cccc(OC)c2OCc2ccccc2Cl)cc1OC ZINC000016228276 556593585 /nfs/dbraw/zinc/59/35/85/556593585.db2.gz CEMYEOHQEWPMJL-UHFFFAOYSA-N 0 3 441.955 5.277 40 0 IKABHN O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833080 556622115 /nfs/dbraw/zinc/62/21/15/556622115.db2.gz LTBQCGCJLNACIW-RUZDIDTESA-N 0 3 432.995 5.781 40 0 IKABHN O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833081 556622210 /nfs/dbraw/zinc/62/22/10/556622210.db2.gz LTBQCGCJLNACIW-VWLOTQADSA-N 0 3 432.995 5.781 40 0 IKABHN O=C(NCCSCc1cccc(Cl)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038837550 556623691 /nfs/dbraw/zinc/62/36/91/556623691.db2.gz NKRRUGZOWKZYTQ-IBGZPJMESA-N 0 3 437.436 5.255 40 0 IKABHN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038850636 556624693 /nfs/dbraw/zinc/62/46/93/556624693.db2.gz AJMSKNCBUMLIGH-QFIPXVFZSA-N 0 3 434.967 5.770 40 0 IKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)CC1 ZINC000038854602 556625424 /nfs/dbraw/zinc/62/54/24/556625424.db2.gz JTIKIZNJZGRJDS-UHFFFAOYSA-N 0 3 433.596 5.233 40 0 IKABHN CCOc1cc(CNCc2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000016688733 556626707 /nfs/dbraw/zinc/62/67/07/556626707.db2.gz YCYDTVIMSUVQGK-UHFFFAOYSA-N 0 3 444.344 5.856 40 0 IKABHN CCOc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016689156 556627087 /nfs/dbraw/zinc/62/70/87/556627087.db2.gz BAFYWUQNNYEWAK-UHFFFAOYSA-N 0 3 434.338 6.400 40 0 IKABHN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000100961974 556629576 /nfs/dbraw/zinc/62/95/76/556629576.db2.gz SBXXZWYDZDXGMP-GSDHBNRESA-N 0 3 434.495 5.199 40 0 IKABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000101001554 556634751 /nfs/dbraw/zinc/63/47/51/556634751.db2.gz MCAJYCWBANOJCU-JRFVFWCSSA-N 0 3 446.934 5.316 40 0 IKABHN Cc1cccc(C)c1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000101050701 556652586 /nfs/dbraw/zinc/65/25/86/556652586.db2.gz DNRSHPPENRRNNQ-PUHATCMVSA-N 0 3 432.907 5.008 40 0 IKABHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1=O ZINC000101050701 556652588 /nfs/dbraw/zinc/65/25/88/556652588.db2.gz DNRSHPPENRRNNQ-PUHATCMVSA-N 0 3 432.907 5.008 40 0 IKABHN Cc1cccc(C)c1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000101050708 556652607 /nfs/dbraw/zinc/65/26/07/556652607.db2.gz DNRSHPPENRRNNQ-MZYLBHOOSA-N 0 3 432.907 5.008 40 0 IKABHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C1=O ZINC000101050708 556652609 /nfs/dbraw/zinc/65/26/09/556652609.db2.gz DNRSHPPENRRNNQ-MZYLBHOOSA-N 0 3 432.907 5.008 40 0 IKABHN CC(C)Oc1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044916359 556681519 /nfs/dbraw/zinc/68/15/19/556681519.db2.gz WGRBZNSFEIIPEG-JOCHJYFZSA-N 0 3 429.004 5.088 40 0 IKABHN CC1(C)C[C@H](NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c2ccccc2O1 ZINC000044918626 556681993 /nfs/dbraw/zinc/68/19/93/556681993.db2.gz FCJIWEHBZVHTEF-VWLOTQADSA-N 0 3 426.560 5.277 40 0 IKABHN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(Cl)c1 ZINC000044940189 556683306 /nfs/dbraw/zinc/68/33/06/556683306.db2.gz YBHDXYJXKYOUJJ-UHFFFAOYSA-N 0 3 448.950 5.327 40 0 IKABHN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1Cl ZINC000044939767 556683315 /nfs/dbraw/zinc/68/33/15/556683315.db2.gz DLOFIEGWINUIQI-MRXNPFEDSA-N 0 3 435.351 5.021 40 0 IKABHN CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000019081909 556696628 /nfs/dbraw/zinc/69/66/28/556696628.db2.gz WQCKZFODFKODBS-ATIYNZHBSA-N 0 3 449.639 5.519 40 0 IKABHN CCOC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2Cl)=N[C@@H]1c1ccccc1 ZINC000408991835 556708620 /nfs/dbraw/zinc/70/86/20/556708620.db2.gz RELAPNOGRLKTPE-LJQANCHMSA-N 0 3 435.376 5.764 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000013750716 556726019 /nfs/dbraw/zinc/72/60/19/556726019.db2.gz VFLVERBIEIQBPN-ACRUOGEOSA-N 0 3 439.298 5.045 40 0 IKABHN O=C(c1cccs1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3cccc(F)c3)CC[C@H]21 ZINC000019293874 556733207 /nfs/dbraw/zinc/73/32/07/556733207.db2.gz BRKUHWDTMSOWMK-DNVJHFABSA-N 0 3 438.543 5.157 40 0 IKABHN O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019334360 556737848 /nfs/dbraw/zinc/73/78/48/556737848.db2.gz NKIHNIKKZXCIHK-HJOGWXRNSA-N 0 3 438.543 5.157 40 0 IKABHN O=C(c1ccc(F)cc1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccs3)CC[C@H]21 ZINC000019343540 556741511 /nfs/dbraw/zinc/74/15/11/556741511.db2.gz VAQVKZQFVWAZSW-YPAWHYETSA-N 0 3 426.582 5.079 40 0 IKABHN O=C(c1cccs1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccccc3F)CC[C@H]21 ZINC000019349209 556744103 /nfs/dbraw/zinc/74/41/03/556744103.db2.gz QBQPPRCDWFRRLZ-MQSCRBSSSA-N 0 3 438.543 5.157 40 0 IKABHN O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000019369003 556746888 /nfs/dbraw/zinc/74/68/88/556746888.db2.gz OSFNIQQGIYBVJW-HJOGWXRNSA-N 0 3 437.008 5.532 40 0 IKABHN O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc3ncccc3c2)C1)c1cccs1 ZINC000019400613 556753132 /nfs/dbraw/zinc/75/31/32/556753132.db2.gz FWYNNGDBIOFPQV-SQJMNOBHSA-N 0 3 442.588 5.075 40 0 IKABHN Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000019401698 556753893 /nfs/dbraw/zinc/75/38/93/556753893.db2.gz UXUNIZPJHPCJDN-FQEVSTJZSA-N 0 3 440.526 5.196 40 0 IKABHN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(-c3ccccn3)cc2)C1)C1CCC1 ZINC000019402662 556754205 /nfs/dbraw/zinc/75/42/05/556754205.db2.gz NVEUZSABFSVOCN-IGKIAQTJSA-N 0 3 440.591 5.013 40 0 IKABHN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000019522016 556779000 /nfs/dbraw/zinc/77/90/00/556779000.db2.gz MIIHEJJERLABRU-HNNXBMFYSA-N 0 3 449.473 5.201 40 0 IKABHN CCOc1cc(CN2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)ccc1OC ZINC000019531934 556792361 /nfs/dbraw/zinc/79/23/61/556792361.db2.gz SGMWWWWVZARXDQ-UHFFFAOYSA-N 0 3 449.473 5.337 40 0 IKABHN COCc1ccc(OC)c(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c1 ZINC000019565000 556805902 /nfs/dbraw/zinc/80/59/02/556805902.db2.gz NRFUSRCVEGVFJG-UHFFFAOYSA-N 0 3 431.483 5.003 40 0 IKABHN Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@H]3C[C@@]4(C)CCC[C@@H](C)C4=C[C@H]23)CC1 ZINC000063720236 556821451 /nfs/dbraw/zinc/82/14/51/556821451.db2.gz RSUMDFBTCAAZNY-MCKAELPCSA-N 0 3 443.031 5.085 40 0 IKABHN Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccc4ncccc4c3)n[nH]2)cc1F ZINC000019703637 556862227 /nfs/dbraw/zinc/86/22/27/556862227.db2.gz RXDBYSLOHRYOAD-RUZDIDTESA-N 0 3 434.490 5.195 40 0 IKABHN COc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000408869007 556874076 /nfs/dbraw/zinc/87/40/76/556874076.db2.gz OSFYNUGHXSQNBD-UHFFFAOYSA-N 0 3 448.994 6.056 40 0 IKABHN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c(C)c1C ZINC000072330431 556905407 /nfs/dbraw/zinc/90/54/07/556905407.db2.gz BRZXNEAPIYYDAO-BWKNWUBXSA-N 0 3 449.620 5.152 40 0 IKABHN COc1ccc2cc(CN3CCC[C@@H]([C@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2c1 ZINC000072330565 556906507 /nfs/dbraw/zinc/90/65/07/556906507.db2.gz VNGZSACNXGYWPK-SQHAQQRYSA-N 0 3 443.591 5.113 40 0 IKABHN CC(C)n1cc(CN2CC[C@H](c3c4cccnc4sc3C(=O)N(C)C)C2)c2ccccc21 ZINC000072352556 556924504 /nfs/dbraw/zinc/92/45/04/556924504.db2.gz YWGGLNMCNKHRFT-SFHVURJKSA-N 0 3 446.620 5.523 40 0 IKABHN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1c(C)nn(C(C)C)c1C ZINC000072370490 556935075 /nfs/dbraw/zinc/93/50/75/556935075.db2.gz RXUGEOFHMVEKEL-IBGZPJMESA-N 0 3 438.641 5.252 40 0 IKABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371737 556940478 /nfs/dbraw/zinc/94/04/78/556940478.db2.gz YCTMOKFBBYSNIR-IBGZPJMESA-N 0 3 442.007 5.068 40 0 IKABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371737 556940479 /nfs/dbraw/zinc/94/04/79/556940479.db2.gz YCTMOKFBBYSNIR-IBGZPJMESA-N 0 3 442.007 5.068 40 0 IKABHN CCOc1ccc(CN2CCC[C@@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)cc1CO ZINC000072372712 556943858 /nfs/dbraw/zinc/94/38/58/556943858.db2.gz MPOAODRKQATISC-JOCHJYFZSA-N 0 3 438.597 5.127 40 0 IKABHN COCc1ccc(OC)c(CN2CCC[C@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)c1 ZINC000072372708 556943876 /nfs/dbraw/zinc/94/38/76/556943876.db2.gz UGJZQSWYIMQOQY-QFIPXVFZSA-N 0 3 438.597 5.391 40 0 IKABHN Cc1ccc([C@H](NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c2ccccc2)cc1 ZINC000020035416 556969943 /nfs/dbraw/zinc/96/99/43/556969943.db2.gz NDPPXKBFISRLEP-SSEXGKCCSA-N 0 3 446.594 6.073 40 0 IKABHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000015931502 556985784 /nfs/dbraw/zinc/98/57/84/556985784.db2.gz XKSWRUYYSKZLQA-AHWVRZQESA-N 0 3 446.978 5.676 40 0 IKABHN CCOc1cc(CNCCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000023471937 557093612 /nfs/dbraw/zinc/09/36/12/557093612.db2.gz OPDDWBKGQXFRNL-UHFFFAOYSA-N 0 3 431.791 5.276 40 0 IKABHN CC1CCN(Cc2ccc3oc(-c4cccc(I)c4)nc3c2)CC1 ZINC000216839578 557157408 /nfs/dbraw/zinc/15/74/08/557157408.db2.gz PIBLKQHPEYGUOD-UHFFFAOYSA-N 0 3 432.305 5.331 40 0 IKABHN CC[C@@H]1c2cc(Oc3c(O)c(OC)cc4c3[C@H](CC)N(C)CC4)c(OC)cc2CCN1C ZINC000024717635 557160747 /nfs/dbraw/zinc/16/07/47/557160747.db2.gz BOXBKGGQZPGMRE-UXHICEINSA-N 0 3 440.584 5.080 40 0 IKABHN COc1cc(CNCc2ccc(C)cc2)cc(Br)c1OCc1cccnc1 ZINC000022107443 557177427 /nfs/dbraw/zinc/17/74/27/557177427.db2.gz IYBHGHBSZFABEX-UHFFFAOYSA-N 0 3 427.342 5.030 40 0 IKABHN COc1ccc2c(c1)N[C@]1(CCCN(CCCC(=O)c3ccc(Cl)cc3)C1)c1cccn1-2 ZINC000057719877 557259292 /nfs/dbraw/zinc/25/92/92/557259292.db2.gz JGYUSFPHOWZCBM-SANMLTNESA-N 0 3 449.982 5.519 40 0 IKABHN CCc1cccc(C)c1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000219960542 557272402 /nfs/dbraw/zinc/27/24/02/557272402.db2.gz CASCUAZPLAKJRA-UHFFFAOYSA-N 0 3 426.604 6.264 40 0 IKABHN COc1ccc(CN(C)C(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000219959550 557272425 /nfs/dbraw/zinc/27/24/25/557272425.db2.gz VZSPTLGKIBIFPT-UHFFFAOYSA-N 0 3 442.603 5.422 40 0 IKABHN CCSc1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000219962941 557272710 /nfs/dbraw/zinc/27/27/10/557272710.db2.gz KQOQSXDDOSMIOI-UHFFFAOYSA-N 0 3 444.644 6.506 40 0 IKABHN O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000101016553 557281435 /nfs/dbraw/zinc/28/14/35/557281435.db2.gz AUYNEYDHGNEHLB-YTMVLYRLSA-N 0 3 438.571 5.408 40 0 IKABHN C[C@@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)CN(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000102673753 557305111 /nfs/dbraw/zinc/30/51/11/557305111.db2.gz LBMQWGLSKLHDSA-CTZUUEIXSA-N 0 3 445.606 7.163 40 0 IKABHN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1)C1CCCCC1 ZINC000072215709 557342697 /nfs/dbraw/zinc/34/26/97/557342697.db2.gz CIKQRGSXVBJQNZ-RUZDIDTESA-N 0 3 449.639 6.883 40 0 IKABHN CC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2ccncc2)CC1 ZINC000072345118 557377374 /nfs/dbraw/zinc/37/73/74/557377374.db2.gz NUILMOPFZYODRP-UHFFFAOYSA-N 0 3 445.582 5.237 40 0 IKABHN CCOc1ccccc1CNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958740 557381687 /nfs/dbraw/zinc/38/16/87/557381687.db2.gz SNWSVINBUBEXSJ-UHFFFAOYSA-N 0 3 442.603 5.470 40 0 IKABHN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000113959111 557381851 /nfs/dbraw/zinc/38/18/51/557381851.db2.gz YFDOSTJHTQUVRT-DEOSSOPVSA-N 0 3 440.631 6.249 40 0 IKABHN CC[C@H](NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(C)cc1 ZINC000113958997 557381922 /nfs/dbraw/zinc/38/19/22/557381922.db2.gz TWVTXWMBCDRRNR-LJAQVGFWSA-N 0 3 440.631 6.331 40 0 IKABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000033920297 557384051 /nfs/dbraw/zinc/38/40/51/557384051.db2.gz GWFDKPXTLMKEHJ-SBHAEUEKSA-N 0 3 439.298 5.045 40 0 IKABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc2ccccc2c1 ZINC000013998233 557402523 /nfs/dbraw/zinc/40/25/23/557402523.db2.gz MHTQWLGQZQJDEI-SVBPBHIXSA-N 0 3 439.555 5.377 40 0 IKABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc2ccccc2c1 ZINC000013998230 557402589 /nfs/dbraw/zinc/40/25/89/557402589.db2.gz MHTQWLGQZQJDEI-KAYWLYCHSA-N 0 3 439.555 5.377 40 0 IKABHN CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000223416170 557469538 /nfs/dbraw/zinc/46/95/38/557469538.db2.gz ZPIXICHXZMNMLC-UHFFFAOYSA-N 0 3 442.603 5.351 40 0 IKABHN CCOc1c(Br)cc(Br)cc1CNCCc1ccccc1F ZINC000016688078 557475241 /nfs/dbraw/zinc/47/52/41/557475241.db2.gz YWFUUQSFNYTMGR-UHFFFAOYSA-N 0 3 431.143 5.082 40 0 IKABHN CCc1ccc(N2C(=O)C3=C(C2=O)C(c2ccc(F)cc2)Nc2ccccc2S3)cc1 ZINC000017096924 557477798 /nfs/dbraw/zinc/47/77/98/557477798.db2.gz NQTHHMOVWIUFCK-JOCHJYFZSA-N 0 3 430.504 5.475 40 0 IKABHN O=C1C2=C(C(=O)N1c1ccc(Cl)cc1)C(c1ccc(O)cc1)Nc1ccccc1S2 ZINC000017099238 557482359 /nfs/dbraw/zinc/48/23/59/557482359.db2.gz ITFCLETXCQQVRB-HXUWFJFHSA-N 0 3 434.904 5.132 40 0 IKABHN CCc1ccc(N2C(=O)C3=C(C2=O)C(c2cccc(Cl)c2)Nc2ccccc2S3)cc1 ZINC000019645476 557504940 /nfs/dbraw/zinc/50/49/40/557504940.db2.gz MUALGBYQUYFRHU-QFIPXVFZSA-N 0 3 446.959 5.989 40 0 IKABHN CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000223729952 557506762 /nfs/dbraw/zinc/50/67/62/557506762.db2.gz TZGJOIABHSBGSF-HXUWFJFHSA-N 0 3 429.004 5.045 40 0 IKABHN CC(C)c1ccccc1OCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223747161 557508601 /nfs/dbraw/zinc/50/86/01/557508601.db2.gz ZKAOQJBAJLOKKK-UHFFFAOYSA-N 0 3 428.576 5.177 40 0 IKABHN CCCCC[C@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004099989 557531174 /nfs/dbraw/zinc/53/11/74/557531174.db2.gz INXGAHHQCIHNOR-HYHZCSIDSA-N 0 3 443.631 6.897 40 0 IKABHN CCCCC[C@@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004099983 557531180 /nfs/dbraw/zinc/53/11/80/557531180.db2.gz INXGAHHQCIHNOR-JJILFORISA-N 0 3 443.631 6.897 40 0 IKABHN COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)[C@H](C)C(O)(Cc3ccccc3)[C@H]2C)cc1 ZINC000004144005 557531375 /nfs/dbraw/zinc/53/13/75/557531375.db2.gz BTUTYNXWDXRDAN-VGPHUIOHSA-N 0 3 431.576 5.335 40 0 IKABHN CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(OC)c(C)c1 ZINC000224066704 557554445 /nfs/dbraw/zinc/55/44/45/557554445.db2.gz LYSIHNLEWZUBKE-SANMLTNESA-N 0 3 428.576 5.443 40 0 IKABHN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)c1 ZINC000224292570 557586483 /nfs/dbraw/zinc/58/64/83/557586483.db2.gz GLVOZFZPKDPEDS-DNQXCXABSA-N 0 3 425.561 5.061 40 0 IKABHN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1c1ccc(Cl)cc1 ZINC000224457012 557608406 /nfs/dbraw/zinc/60/84/06/557608406.db2.gz CTVKSMXDDASFJZ-VXKWHMMOSA-N 0 3 431.952 5.098 40 0 IKABHN Cc1ccc(SCc2ccc(C(=O)NCc3ccccc3CN3CCCCC3)cc2)cc1 ZINC000224808106 557653825 /nfs/dbraw/zinc/65/38/25/557653825.db2.gz BXFPPNGBLZAONU-UHFFFAOYSA-N 0 3 444.644 6.203 40 0 IKABHN O=C(NCc1ccccc1CN1CCCCC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000224841934 557657542 /nfs/dbraw/zinc/65/75/42/557657542.db2.gz GYICETLHRKQQDA-UHFFFAOYSA-N 0 3 448.994 5.835 40 0 IKABHN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000224969761 557672749 /nfs/dbraw/zinc/67/27/49/557672749.db2.gz OWXIMJRGGUFKNQ-UHFFFAOYSA-N 0 3 426.545 5.016 40 0 IKABHN CCc1nc2ccc(NC(=S)NCCNc3cc(C)nc4ccc(C)cc43)cc2s1 ZINC000225229404 557702813 /nfs/dbraw/zinc/70/28/13/557702813.db2.gz AHTAHZKFIJZTRT-UHFFFAOYSA-N 0 3 435.622 5.422 40 0 IKABHN COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCC(C)CC4)cc3)CCCC2)cc1 ZINC000225531484 557737650 /nfs/dbraw/zinc/73/76/50/557737650.db2.gz NJCGQYJRWYJKNT-UHFFFAOYSA-N 0 3 436.596 5.256 40 0 IKABHN CC1CCN(CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCCC3)cc2)CC1 ZINC000225547916 557740229 /nfs/dbraw/zinc/74/02/29/557740229.db2.gz XWBBUZRTXDQYNP-UHFFFAOYSA-N 0 3 438.587 5.777 40 0 IKABHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000225550689 557740810 /nfs/dbraw/zinc/74/08/10/557740810.db2.gz PJHBCCNLJBPCFD-UHFFFAOYSA-N 0 3 441.015 6.045 40 0 IKABHN C[C@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)CN(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000061967351 557829458 /nfs/dbraw/zinc/82/94/58/557829458.db2.gz LBMQWGLSKLHDSA-ZWZQZIPJSA-N 0 3 445.606 7.163 40 0 IKABHN CC(C)NC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccccc2)CC1 ZINC000585166488 568873014 /nfs/dbraw/zinc/87/30/14/568873014.db2.gz HXRYDSKNLIPHBN-UHFFFAOYSA-N 0 3 427.592 5.098 40 0 IKABHN COCc1ccc(C(=O)N2CCC[C@H](c3cc(Nc4ccc(OC)cc4)cc(C)n3)C2)cc1 ZINC000585169165 568873166 /nfs/dbraw/zinc/87/31/66/568873166.db2.gz LGDPWEFXTDDUKT-QFIPXVFZSA-N 0 3 445.563 5.308 40 0 IKABHN Cc1cnc(Nc2cccc([C@@H]3CCCN(Cc4c(C)nc5c(C)cccn45)C3)n2)s1 ZINC000585262648 568873879 /nfs/dbraw/zinc/87/38/79/568873879.db2.gz OHNLQDUCCABVGU-LJQANCHMSA-N 0 3 432.597 5.234 40 0 IKABHN FC(F)(F)c1nc(-c2cccc(OC3CCN(c4ccnc5ccccc54)CC3)c2)no1 ZINC000585266597 568874228 /nfs/dbraw/zinc/87/42/28/568874228.db2.gz INTZUEBSBNGZQR-UHFFFAOYSA-N 0 3 440.425 5.351 40 0 IKABHN FC(F)(F)c1nc(-c2cccc(C3CCN(c4ccnc5ccccc54)CC3)n2)no1 ZINC000585266734 568874251 /nfs/dbraw/zinc/87/42/51/568874251.db2.gz GNHGUYXPWFQMPH-UHFFFAOYSA-N 0 3 425.414 5.083 40 0 IKABHN C1CCC[C@H]2CCN3CCC[C@H](CCCCCC[C@H]4CCN5CCC[C@@H](CC1)[C@H]5O4)[C@H]3O2 ZINC000033822036 568905656 /nfs/dbraw/zinc/90/56/56/568905656.db2.gz PQYOPBRFUUEHRC-MUJQFDPKSA-N 0 3 446.720 6.335 40 0 in-vitro IKABHN Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)N2CCCCC2)c(C)c1 ZINC000001720317 569082354 /nfs/dbraw/zinc/08/23/54/569082354.db2.gz WMVITKWUIQLBGX-WUFINQPMSA-N 0 3 427.588 6.737 40 0 IKABHN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(F)cc2)N2CCC(C)CC2)c1C ZINC000002546440 569097399 /nfs/dbraw/zinc/09/73/99/569097399.db2.gz QTYSJIAALFEGPV-XMMPIXPASA-N 0 3 436.596 6.578 40 0 IKABHN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCC(C)CC2)cc1 ZINC000002546367 569097428 /nfs/dbraw/zinc/09/74/28/569097428.db2.gz QWPMCUGLBDHUBC-RUZDIDTESA-N 0 3 448.632 6.447 40 0 IKABHN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCC(C)CC2)cc1 ZINC000002546370 569097496 /nfs/dbraw/zinc/09/74/96/569097496.db2.gz QWPMCUGLBDHUBC-VWLOTQADSA-N 0 3 448.632 6.447 40 0 IKABHN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010368026 569224027 /nfs/dbraw/zinc/22/40/27/569224027.db2.gz BHNPFXSWXQMSTH-UHFFFAOYSA-N 0 3 430.617 6.526 40 0 IKABHN Cc1c(CN2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)oc2ccc(C)cc12 ZINC000019220503 569226181 /nfs/dbraw/zinc/22/61/81/569226181.db2.gz ZNZQAZSAOJYLLX-CJFMBICVSA-N 0 3 433.596 5.560 40 0 IKABHN Cn1cc(CN2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c2ccccc21 ZINC000019290449 569226281 /nfs/dbraw/zinc/22/62/81/569226281.db2.gz SJVXRBDLXUORKH-UQBPGWFLSA-N 0 3 444.604 5.018 40 0 IKABHN Cn1cc(CN2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c2ccccc21 ZINC000019290448 569226404 /nfs/dbraw/zinc/22/64/04/569226404.db2.gz SJVXRBDLXUORKH-KBMIEXCESA-N 0 3 444.604 5.018 40 0 IKABHN CCOc1cc2c(cc1CN1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCC2 ZINC000019532467 569227075 /nfs/dbraw/zinc/22/70/75/569227075.db2.gz HPMDLLFMLUYPQP-BKMJKUGQSA-N 0 3 449.639 5.085 40 0 IKABHN CCN(C(=O)c1ccc2c(c1)ncn2C(C)C)[C@H]1CCO[C@@H](c2ccc(CN(C)C)cc2)C1 ZINC000019711785 569235072 /nfs/dbraw/zinc/23/50/72/569235072.db2.gz SCKORKDSYGFCCG-JYFHCDHNSA-N 0 3 448.611 5.061 40 0 IKABHN COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3N2Cc2ccc(OC3CCCC3)cc2)cc1 ZINC000019713918 569235791 /nfs/dbraw/zinc/23/57/91/569235791.db2.gz DKEYXBBWCGRPJS-JIMJEQGWSA-N 0 3 434.580 5.001 40 0 IKABHN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000038834435 569248873 /nfs/dbraw/zinc/24/88/73/569248873.db2.gz DWFJSIVFWQXLCO-UHFFFAOYSA-N 0 3 434.539 6.290 40 0 IKABHN COc1ccc([C@H](CC(C)C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044937102 569249406 /nfs/dbraw/zinc/24/94/06/569249406.db2.gz RSIAANWTGKPVES-URXFXBBRSA-N 0 3 429.004 5.464 40 0 IKABHN CCOC(=O)C1=C(C)NC(SCc2ccc(Cl)c(Cl)c2)=N[C@@H]1c1ccccc1 ZINC000107935126 569251786 /nfs/dbraw/zinc/25/17/86/569251786.db2.gz LMRVIGOKDOMJIR-LJQANCHMSA-N 0 3 435.376 5.764 40 0 IKABHN COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1ccccc1)N2Cc1ccccc1 ZINC000245227099 569269441 /nfs/dbraw/zinc/26/94/41/569269441.db2.gz ABUKBCAATVFRLI-MEUOBDGXSA-N 0 3 427.544 5.441 40 0 IKABHN CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3ccccc3)N[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000257201815 569275561 /nfs/dbraw/zinc/27/55/61/569275561.db2.gz AJDJIFZTTODFMK-HSQYWUDLSA-N 0 3 440.950 5.256 40 0 IKABHN Fc1ccccc1O[C@H]1COC2(C1)CCN(Cc1ccccc1OCc1ccccn1)CC2 ZINC000257201122 569275608 /nfs/dbraw/zinc/27/56/08/569275608.db2.gz AGJNXQNNXDLZEK-HSZRJFAPSA-N 0 3 448.538 5.002 40 0 IKABHN CCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2cccc(C)n2)CC1 ZINC000257207305 569275669 /nfs/dbraw/zinc/27/56/69/569275669.db2.gz BHDWITOABUCMFQ-UHFFFAOYSA-N 0 3 433.621 5.080 40 0 IKABHN CC(C)(C)CN[C@@H](C[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257205390 569275719 /nfs/dbraw/zinc/27/57/19/569275719.db2.gz AYUBXWZGDHGGBS-XXBNENTESA-N 0 3 434.455 6.510 40 0 IKABHN CC(=O)N(c1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccccc1OC1CCCC1)CC2 ZINC000257204830 569275750 /nfs/dbraw/zinc/27/57/50/569275750.db2.gz AWLRSOHRRLMRTN-RUZDIDTESA-N 0 3 448.607 5.185 40 0 IKABHN CC(C)(C)CN[C@H](C[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000257205389 569275789 /nfs/dbraw/zinc/27/57/89/569275789.db2.gz AYUBXWZGDHGGBS-WMZHIEFXSA-N 0 3 434.455 6.510 40 0 IKABHN Cc1nc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4[nH]nc5ccc(C)cc54)C3)c2)sc1C ZINC000257209753 569275876 /nfs/dbraw/zinc/27/58/76/569275876.db2.gz BRSWJWHSCHTBDB-KRWDZBQOSA-N 0 3 446.580 5.021 40 0 IKABHN CCCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2ccccn2)CC1 ZINC000257233048 569276602 /nfs/dbraw/zinc/27/66/02/569276602.db2.gz GNNACZLGNBSWMU-UHFFFAOYSA-N 0 3 445.582 5.239 40 0 IKABHN O=C1CCC[C@]2(CN(Cc3cccc(Oc4ccccc4)c3)C[C@H]2c2ccccc2F)N1 ZINC000257234421 569276625 /nfs/dbraw/zinc/27/66/25/569276625.db2.gz GTKZVUQIWLWMCD-RPLLCQBOSA-N 0 3 430.523 5.256 40 0 IKABHN Cc1nc2c(C)cccn2c1CN1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 ZINC000257232490 569276653 /nfs/dbraw/zinc/27/66/53/569276653.db2.gz GLBROZWTOZYZMT-HSZRJFAPSA-N 0 3 428.555 5.456 40 0 IKABHN CC1(C)Cc2cc(CN3CCC[C@H](c4ccc(Cc5c(F)cccc5F)cn4)C3)ccc2O1 ZINC000257233497 569276683 /nfs/dbraw/zinc/27/66/83/569276683.db2.gz GPOBMWHHFQXYQI-NRFANRHFSA-N 0 3 448.557 6.044 40 0 IKABHN CCNc1nc(C)c(C(=O)N2CC[C@@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)s1 ZINC000257239662 569276810 /nfs/dbraw/zinc/27/68/10/569276810.db2.gz HQHFNMMTOYPCAN-MRXNPFEDSA-N 0 3 439.560 5.099 40 0 IKABHN CCCc1cc(C(=O)N2CCC[C@@H](c3cc(Nc4cccc(OC)c4)cc(C)n3)C2)no1 ZINC000257243734 569276948 /nfs/dbraw/zinc/27/69/48/569276948.db2.gz IIHULIXMAYPBMP-GOSISDBHSA-N 0 3 434.540 5.103 40 0 IKABHN COc1ccccc1-c1ccc(CN2C[C@@H](c3ccccc3F)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000257249187 569277057 /nfs/dbraw/zinc/27/70/57/569277057.db2.gz JHEYCPPJISXZFF-RBJSKKJNSA-N 0 3 444.550 5.140 40 0 IKABHN COc1cc(C)c(C[NH+]2CCC(c3cncc([N-]c4nc(C)cs4)n3)CC2)c(C)c1C ZINC000257251292 569277175 /nfs/dbraw/zinc/27/71/75/569277175.db2.gz JQDBPKOTIDJOPH-UHFFFAOYSA-N 0 3 437.613 5.299 40 0 IKABHN Cn1cc(CN2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c2ccccc21 ZINC000257272950 569277638 /nfs/dbraw/zinc/27/76/38/569277638.db2.gz NEOPVZPRQGBNKS-AREMUKBSSA-N 0 3 449.520 6.520 40 0 IKABHN O=C1CCC[C@]2(CN(Cc3cccc(OCc4ccccc4)c3)C[C@H]2c2ccccc2F)N1 ZINC000257273254 569277703 /nfs/dbraw/zinc/27/77/03/569277703.db2.gz NFWAFQRZMNZGAN-LBNVMWSVSA-N 0 3 444.550 5.043 40 0 IKABHN COCc1ccc(C(=O)N2CCC[C@@H](c3cc(Nc4cccc(OC)c4)cc(C)n3)C2)cc1 ZINC000257277745 569277816 /nfs/dbraw/zinc/27/78/16/569277816.db2.gz NZETXMPGTQTOMG-JOCHJYFZSA-N 0 3 445.563 5.308 40 0 IKABHN CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2cccc(F)c2)CC1 ZINC000257283823 569278012 /nfs/dbraw/zinc/27/80/12/569278012.db2.gz OZZGQCQSADTNOK-UHFFFAOYSA-N 0 3 445.582 5.237 40 0 IKABHN COc1cccc(C(=O)N2CC[C@H](c3cc(Nc4ccc(C)cc4)cc(C)n3)C2)c1OC ZINC000257307160 569278631 /nfs/dbraw/zinc/27/86/31/569278631.db2.gz SXLMXNXKEFSBRE-IBGZPJMESA-N 0 3 431.536 5.089 40 0 IKABHN COc1cccc(CN2CC[C@@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)c1OC ZINC000257304480 569278684 /nfs/dbraw/zinc/27/86/84/569278684.db2.gz SLWPIWRKDYQKLR-QGZVFWFLSA-N 0 3 438.593 5.046 40 0 IKABHN COc1cccc(C(=O)N2CC[C@@H](c3cc(Nc4ccc(C)cc4)cc(C)n3)C2)c1OC ZINC000257307161 569278726 /nfs/dbraw/zinc/27/87/26/569278726.db2.gz SXLMXNXKEFSBRE-LJQANCHMSA-N 0 3 431.536 5.089 40 0 IKABHN Fc1ccccc1O[C@H]1COC2(C1)CCN(Cc1ccccc1OCc1cccnc1)CC2 ZINC000257315038 569278992 /nfs/dbraw/zinc/27/89/92/569278992.db2.gz UZQLWKUPACNDJM-HSZRJFAPSA-N 0 3 448.538 5.002 40 0 IKABHN Cc1c(C(=O)N2CC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)oc2c1C(=O)CCC2 ZINC000257317227 569279094 /nfs/dbraw/zinc/27/90/94/569279094.db2.gz VIWVPCYLEQKLLS-QGZVFWFLSA-N 0 3 447.510 5.323 40 0 IKABHN CC(=O)Nc1ccc(CN2CCC[C@@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)cc1 ZINC000257320297 569279120 /nfs/dbraw/zinc/27/91/20/569279120.db2.gz VWCNGAHCFKDSLR-HXUWFJFHSA-N 0 3 435.597 5.237 40 0 IKABHN O=C1CCC[C@]2(CN(Cc3ccc(Oc4ccccc4)cc3)C[C@H]2c2ccccc2F)N1 ZINC000257319803 569279150 /nfs/dbraw/zinc/27/91/50/569279150.db2.gz VUCDJLPDRRVSFC-RPLLCQBOSA-N 0 3 430.523 5.256 40 0 IKABHN CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cn(C)c3cc(F)ccc23)C1 ZINC000257323711 569279307 /nfs/dbraw/zinc/27/93/07/569279307.db2.gz WLOJFWFQQAKDNT-MRXNPFEDSA-N 0 3 435.568 5.223 40 0 IKABHN CC(=O)Nc1ccc(CN2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)cc1 ZINC000257328169 569279394 /nfs/dbraw/zinc/27/93/94/569279394.db2.gz XELSBQMEMSPXNV-LADGPHEKSA-N 0 3 440.971 5.193 40 0 IKABHN COc1cc2c(cc1CN1CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C1)CCC2 ZINC000257324347 569279407 /nfs/dbraw/zinc/27/94/07/569279407.db2.gz WOFYRNRKKXIDJO-XMMPIXPASA-N 0 3 430.567 5.688 40 0 IKABHN COc1cccc(CN2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c1 ZINC000257340301 569279792 /nfs/dbraw/zinc/27/97/92/569279792.db2.gz ZFKGLDNOSBVOEG-QFIPXVFZSA-N 0 3 440.509 6.079 40 0 IKABHN CC1(C)Cc2cc(CN3CCC[C@H](c4ccc(Cc5ccc(Cl)cc5)cn4)C3)ccc2O1 ZINC000257341671 569279839 /nfs/dbraw/zinc/27/98/39/569279839.db2.gz ZLJCORPCPZPWRO-QHCPKHFHSA-N 0 3 447.022 6.419 40 0 IKABHN CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cn(C)c3cc(F)ccc23)C1 ZINC000257340569 569279859 /nfs/dbraw/zinc/27/98/59/569279859.db2.gz ZGSNDKLNLIDRLV-KRWDZBQOSA-N 0 3 449.595 5.660 40 0 IKABHN CCC1(CC)C[C@H](NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000260843360 569281928 /nfs/dbraw/zinc/28/19/28/569281928.db2.gz QSSYGAMKRJMJQA-REWPJTCUSA-N 0 3 441.015 5.751 40 0 IKABHN CCCCCCC1(O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000009041946 569293124 /nfs/dbraw/zinc/29/31/24/569293124.db2.gz IOJSASXMHFMQDT-SCQYUHHQSA-N 0 3 434.451 7.353 40 0 IKABHN