smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000218197704 568476272 /nfs/dbraw/zinc/47/62/72/568476272.db2.gz IROIWACDEXWBPR-HXUWFJFHSA-N 0 0 418.449 3.930 50 70 HHIARN CSCC[C@H](NC(=O)[C@H](C)N1Cc2ccccc2C1=O)c1nc2ccccc2n1C ZINC000218364798 568479285 /nfs/dbraw/zinc/47/92/85/568479285.db2.gz OCLWUBCYUVFAOI-KXBFYZLASA-N 0 0 422.554 3.528 50 70 HHIARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)Nc1ccc2[nH]c(C(C)C)nc2c1 ZINC000218499336 568481087 /nfs/dbraw/zinc/48/10/87/568481087.db2.gz LXQKRPVKZNAMCE-KRWDZBQOSA-N 0 0 408.502 3.896 50 70 HHIARN COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4ccc5c(c43)OC(C)(C)CC5=O)cc2c1 ZINC000217632852 568900977 /nfs/dbraw/zinc/90/09/77/568900977.db2.gz KSIIEYSAGXUPMQ-HNNXBMFYSA-N 0 0 419.433 3.722 50 70 biogenic HHIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1ccccn1 ZINC000217643767 568901477 /nfs/dbraw/zinc/90/14/77/568901477.db2.gz DBTLQHFLZMJDEZ-JOCHJYFZSA-N 0 0 412.449 3.615 50 70 biogenic HHIARN COCc1nnc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)s1 ZINC000218165341 568926901 /nfs/dbraw/zinc/92/69/01/568926901.db2.gz JQWPTAXMPDJRIU-UHFFFAOYSA-N 0 0 414.516 3.991 50 70 HHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 ZINC000218145709 568475738 /nfs/dbraw/zinc/47/57/38/568475738.db2.gz KSVFUFLJHJUXGA-HNNXBMFYSA-N 0 0 419.485 3.572 50 70 HHIARN CC(C)[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nc2ccccc2n1C(C)C ZINC000218325429 568478479 /nfs/dbraw/zinc/47/84/79/568478479.db2.gz NDKQAFOMQHOJHA-QFIPXVFZSA-N 0 0 417.513 3.841 50 70 HHIARN CC(C)CN1C[C@@H](C(=O)N2CCC[C@H]2c2nc3ccccc3n2CC(C)C)CC1=O ZINC000218467730 568480801 /nfs/dbraw/zinc/48/08/01/568480801.db2.gz VPWZFPQUNDMWRF-RXVVDRJESA-N 0 0 410.562 3.860 50 70 HHIARN Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1ccc2[nH]c(C(C)C)nc2c1 ZINC000218499419 568481102 /nfs/dbraw/zinc/48/11/02/568481102.db2.gz LXQKRPVKZNAMCE-QGZVFWFLSA-N 0 0 408.502 3.896 50 70 HHIARN COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4ccc5c(c43)OC(C)(C)CC5=O)cc2c1 ZINC000217632938 568901009 /nfs/dbraw/zinc/90/10/09/568901009.db2.gz KSIIEYSAGXUPMQ-OAHLLOKOSA-N 0 0 419.433 3.722 50 70 biogenic HHIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1ccccn1 ZINC000217643859 568901453 /nfs/dbraw/zinc/90/14/53/568901453.db2.gz DBTLQHFLZMJDEZ-QFIPXVFZSA-N 0 0 412.449 3.615 50 70 biogenic HHIARN COc1cc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc2c1OCCO2 ZINC000217839406 568915519 /nfs/dbraw/zinc/91/55/19/568915519.db2.gz DJJGOKGNVJQBPR-AWEZNQCLSA-N 0 0 410.422 3.651 50 70 biogenic HHIARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000218249645 568928740 /nfs/dbraw/zinc/92/87/40/568928740.db2.gz YYSVUXJZCRGLBI-QGZVFWFLSA-N 0 0 419.416 3.505 50 70 HHIARN COc1ccc2c(O)c(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cnc2c1 ZINC000218254888 568476980 /nfs/dbraw/zinc/47/69/80/568476980.db2.gz RNAOEBNTINQDDS-UHFFFAOYSA-N 0 0 412.873 3.726 50 70 HHIARN CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000218266056 568477066 /nfs/dbraw/zinc/47/70/66/568477066.db2.gz ZPZUWPNHNBNXAM-FPOVZHCZSA-N 0 0 418.541 3.825 50 70 HHIARN COC(=O)C[C@@H](c1ccccc1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O ZINC000217687210 568905771 /nfs/dbraw/zinc/90/57/71/568905771.db2.gz VTAJLIJKSWAMJV-FQEVSTJZSA-N 0 0 407.466 3.506 50 70 biogenic HHIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCC1=CCCCC1 ZINC000217722254 568908357 /nfs/dbraw/zinc/90/83/57/568908357.db2.gz GQRLCOCYTUWDPR-HSZRJFAPSA-N 0 0 415.493 3.808 50 70 biogenic HHIARN COc1cccc2cc(C(=O)N(Cc3nn(C)c4c3CCC4)C3CCCC3)c(=O)oc21 ZINC000217911442 568918976 /nfs/dbraw/zinc/91/89/76/568918976.db2.gz NXOGETMNKJQATC-UHFFFAOYSA-N 0 0 421.497 3.609 50 70 HHIARN COC(=O)[C@@H](NC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(C)C ZINC000218276913 568477303 /nfs/dbraw/zinc/47/73/03/568477303.db2.gz UQMYCQOKWIYTOK-GJZGRUSLSA-N 0 0 402.318 3.819 50 70 HHIARN CC(C)(C)OC(=O)NC1CCN(C(=O)c2cnc3c(Cl)cccc3c2O)CC1 ZINC000218288476 568477649 /nfs/dbraw/zinc/47/76/49/568477649.db2.gz MTCGNABGQNGTIQ-UHFFFAOYSA-N 0 0 405.882 3.723 50 70 HHIARN COC(=O)C[C@H](c1ccc(C)o1)c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000218372943 568479429 /nfs/dbraw/zinc/47/94/29/568479429.db2.gz HDZDYHZGSGAOFQ-QGZVFWFLSA-N 0 0 424.497 3.994 50 70 HHIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1ccc(F)c(F)c1)CC(=O)O2 ZINC000218512887 568481207 /nfs/dbraw/zinc/48/12/07/568481207.db2.gz WBRNDYPCIIXTLY-KRWDZBQOSA-N 0 0 411.404 3.824 50 70 HHIARN COc1cccc2c(O)c(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cnc12 ZINC000218570361 568481881 /nfs/dbraw/zinc/48/18/81/568481881.db2.gz BJZIYDSTAWJJPR-UHFFFAOYSA-N 0 0 402.454 3.845 50 70 HHIARN O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc(-n2cccc2)cc1 ZINC000218248212 568836988 /nfs/dbraw/zinc/83/69/88/568836988.db2.gz BYFKNKUPHOMFTP-FQEVSTJZSA-N 0 0 400.438 3.766 50 70 HHIARN COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N[C@H](CO)C(C)C ZINC000217631011 568899907 /nfs/dbraw/zinc/89/99/07/568899907.db2.gz QAZIGWFTNIUWES-HXUWFJFHSA-N 0 0 409.482 3.534 50 70 biogenic HHIARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)NCc1ccncc1)COC2=O ZINC000217635864 568901007 /nfs/dbraw/zinc/90/10/07/568901007.db2.gz KWZOBFULUDQBMM-PJQLUOCWSA-N 0 0 424.497 3.663 50 70 biogenic HHIARN Cc1noc(-c2c3c(sc2NC(=O)c2ccc(C(F)(F)F)nc2)COCC3)n1 ZINC000217965461 568921307 /nfs/dbraw/zinc/92/13/07/568921307.db2.gz IZQIGOORDQJWOA-UHFFFAOYSA-N 0 0 410.377 3.845 50 70 HHIARN COCCn1cc(CC(=O)NCCn2ccc3cc(OC)ccc32)c2ccccc21 ZINC000218044266 568924751 /nfs/dbraw/zinc/92/47/51/568924751.db2.gz QWSRNVTYBKATGR-UHFFFAOYSA-N 0 0 405.498 3.610 50 70 biogenic HHIARN CC[C@H](C)[C@H](NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1)c1nc2ccccc2[nH]1 ZINC000218396334 568479727 /nfs/dbraw/zinc/47/97/27/568479727.db2.gz AGYDWFINBUOKQY-YUNKPMOVSA-N 0 0 405.506 3.821 50 70 HHIARN O=C(CSc1ccc(F)cc1)Nc1ccccc1Cc1nc(-c2cnccn2)no1 ZINC000217488947 568884450 /nfs/dbraw/zinc/88/44/50/568884450.db2.gz MCCFZJYCIYFGSB-UHFFFAOYSA-N 0 0 421.457 3.987 50 70 HHIARN COC(=O)C[C@H](c1ccccc1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O ZINC000217687119 568905797 /nfs/dbraw/zinc/90/57/97/568905797.db2.gz VTAJLIJKSWAMJV-HXUWFJFHSA-N 0 0 407.466 3.506 50 70 biogenic HHIARN COC(=O)c1ccccc1C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1 ZINC000217829214 568914827 /nfs/dbraw/zinc/91/48/27/568914827.db2.gz LUKGMYFNBKMQPS-QGZVFWFLSA-N 0 0 419.481 3.927 50 70 HHIARN COc1ccc(CNc2nc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cs2)cc1 ZINC000218190584 568927742 /nfs/dbraw/zinc/92/77/42/568927742.db2.gz SHNOLQUHGVUDKY-HXUWFJFHSA-N 0 0 409.511 3.978 50 70 HHIARN COC(=O)C[C@@H](c1ccco1)c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000218332112 568478615 /nfs/dbraw/zinc/47/86/15/568478615.db2.gz HUOBCSJBEJDDJB-INIZCTEOSA-N 0 0 410.470 3.685 50 70 HHIARN COc1ccc(-c2n[nH]c(C)c2CC(=O)NCCn2ccc3cc(OC)ccc32)cc1 ZINC000218398058 568479694 /nfs/dbraw/zinc/47/96/94/568479694.db2.gz QGAZCIQWJAFWJY-UHFFFAOYSA-N 0 0 418.497 3.716 50 70 HHIARN COc1ccc(-c2n[nH]cc2C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000218510839 568481258 /nfs/dbraw/zinc/48/12/58/568481258.db2.gz FCDVKKABSUVPHT-UHFFFAOYSA-N 0 0 401.470 3.981 50 70 HHIARN Cc1c(C(=O)NCCCc2nc3ccccc3n2C(C)C)sc2[nH]cnc(=O)c12 ZINC000218522355 568481328 /nfs/dbraw/zinc/48/13/28/568481328.db2.gz JKQONXKLLXBRDT-UHFFFAOYSA-N 0 0 409.515 3.586 50 70 HHIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(NC(=O)C2CCC2)c1 ZINC000218333019 568838709 /nfs/dbraw/zinc/83/87/09/568838709.db2.gz SJQHXMBORJQZRX-GOSISDBHSA-N 0 0 424.453 3.683 50 70 HHIARN CCOc1ccc(CC(=O)Nc2ccccc2Cc2nc(-c3cnccn3)no2)cc1 ZINC000217488407 568884418 /nfs/dbraw/zinc/88/44/18/568884418.db2.gz PSRROTRHPXFCNS-UHFFFAOYSA-N 0 0 415.453 3.697 50 70 HHIARN COc1ccc(Cl)cc1S(=O)(=O)NC[C@](C)(O)c1cc2ccccc2s1 ZINC000217514250 568887714 /nfs/dbraw/zinc/88/77/14/568887714.db2.gz GSONYAIMXPCFNN-SFHVURJKSA-N 0 0 411.932 3.749 50 70 HHIARN O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000218249583 568928587 /nfs/dbraw/zinc/92/85/87/568928587.db2.gz YYSVUXJZCRGLBI-KRWDZBQOSA-N 0 0 419.416 3.505 50 70 HHIARN Cc1cc(CC(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)no1 ZINC000217193496 569281648 /nfs/dbraw/zinc/28/16/48/569281648.db2.gz QSIVMVUVDZNVTJ-UHFFFAOYSA-N 0 0 420.874 3.610 50 70 HHIARN CC(C)[C@H](NC(=O)CCCn1cnc2ccccc2c1=O)c1nc2ccccc2n1C ZINC000218306945 568478216 /nfs/dbraw/zinc/47/82/16/568478216.db2.gz SGIMSRLUHMGFGC-QFIPXVFZSA-N 0 0 417.513 3.577 50 70 HHIARN CC(C)(C)OC(=O)NC1CCN(C(=O)c2cnc3ccc(Cl)cc3c2O)CC1 ZINC000218375763 568479353 /nfs/dbraw/zinc/47/93/53/568479353.db2.gz PWAKDXIOZONTHG-UHFFFAOYSA-N 0 0 405.882 3.723 50 70 HHIARN CC(C)CCn1cnc2ccc(NC(=O)c3cc(=O)[nH]c4ccccc43)cc2c1=O ZINC000218537929 568481516 /nfs/dbraw/zinc/48/15/16/568481516.db2.gz UTMQLQFLDZZNBH-UHFFFAOYSA-N 0 0 402.454 3.536 50 70 HHIARN Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217667295 568903583 /nfs/dbraw/zinc/90/35/83/568903583.db2.gz JNHTYHWYAMTQKP-MRXNPFEDSA-N 0 0 402.907 3.543 50 70 HHIARN COC(=O)c1ccccc1C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217797736 568912802 /nfs/dbraw/zinc/91/28/02/568912802.db2.gz SPAUECVYEJXTQA-OAHLLOKOSA-N 0 0 423.444 3.757 50 70 HHIARN O=C(c1noc2c1CCCC2)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217800876 568913082 /nfs/dbraw/zinc/91/30/82/568913082.db2.gz KAOKJENTXDQBBO-CQSZACIVSA-N 0 0 410.449 3.837 50 70 HHIARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)N1CCSCC1)COC2=O ZINC000217724253 568473694 /nfs/dbraw/zinc/47/36/94/568473694.db2.gz MOGOLXQQKZKAGN-LHHJGKSTSA-N 0 0 419.543 3.527 50 70 biogenic HHIARN Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)[nH]n1 ZINC000218244960 568476846 /nfs/dbraw/zinc/47/68/46/568476846.db2.gz DQTLZCBHILTOLD-SFHVURJKSA-N 0 0 405.506 3.821 50 70 HHIARN CC(C)[C@H](NC(=O)c1ccc(-c2nnn(C(C)C)n2)cc1)c1nc2ccccc2n1C ZINC000218312446 568478192 /nfs/dbraw/zinc/47/81/92/568478192.db2.gz YMNQZUWBHRRMBM-FQEVSTJZSA-N 0 0 417.517 3.935 50 70 HHIARN CC(C)[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1nc2ccccc2n1C(C)C ZINC000218402218 568479850 /nfs/dbraw/zinc/47/98/50/568479850.db2.gz DLUHWLTZGMSAEP-QFIPXVFZSA-N 0 0 417.513 3.841 50 70 HHIARN C[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cc2ccccc2s1 ZINC000217513401 568887676 /nfs/dbraw/zinc/88/76/76/568887676.db2.gz GQWWBHXYTVTYPB-OAQYLSRUSA-N 0 0 401.553 3.966 50 70 HHIARN COc1ccc(Br)c(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c1 ZINC000217518072 568887902 /nfs/dbraw/zinc/88/79/02/568887902.db2.gz JHPVAOWLYBAQMC-UHFFFAOYSA-N 0 0 416.271 3.760 50 70 HHIARN CSCC[C@H](NC(=O)c1cc(-c2ccccn2)n[nH]1)c1nc2ccccc2n1C ZINC000218380743 568479545 /nfs/dbraw/zinc/47/95/45/568479545.db2.gz MQBFTPBLJXLWFC-INIZCTEOSA-N 0 0 406.515 3.583 50 70 HHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1cccc(Nc2ncccn2)c1 ZINC000218426428 568480208 /nfs/dbraw/zinc/48/02/08/568480208.db2.gz GWAOCNKDPOZLNX-INIZCTEOSA-N 0 0 416.485 3.707 50 70 HHIARN Cc1cccc2sc(NC(=O)Cn3nc(-n4ccc5ccccc54)ccc3=O)nc21 ZINC000217548987 568890717 /nfs/dbraw/zinc/89/07/17/568890717.db2.gz MYWRSOURAHNQGU-UHFFFAOYSA-N 0 0 415.478 3.744 50 70 HHIARN O=S(=O)(c1ccc(-c2cccc(C(F)(F)F)c2)cc1)N1CC[C@@H](n2ccnn2)C1 ZINC000217689705 568905991 /nfs/dbraw/zinc/90/59/91/568905991.db2.gz BXXZIBQKQVVPKT-QGZVFWFLSA-N 0 0 422.432 3.600 50 70 HHIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1ccc2cc[nH]c2c1 ZINC000217915463 568919630 /nfs/dbraw/zinc/91/96/30/568919630.db2.gz NNEYFXJAWBWBGN-HSZRJFAPSA-N 0 0 422.444 3.921 50 70 biogenic HHIARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCCC[C@H]3c3cccnc3)cc2O1 ZINC000217968621 568921339 /nfs/dbraw/zinc/92/13/39/568921339.db2.gz MBTXETVEZZXIBJ-KRWDZBQOSA-N 0 0 410.470 3.664 50 70 biogenic HHIARN COc1ccc(-n2ncc(C(=O)Nc3cccc(NC(C)=O)c3)c2-n2cccc2)cc1 ZINC000218184047 568475969 /nfs/dbraw/zinc/47/59/69/568475969.db2.gz LMSSSHIXIWNVSG-UHFFFAOYSA-N 0 0 415.453 3.882 50 70 HHIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000218197781 568476262 /nfs/dbraw/zinc/47/62/62/568476262.db2.gz IROIWACDEXWBPR-FQEVSTJZSA-N 0 0 418.449 3.930 50 70 HHIARN COc1cc(NC(=O)CC2(n3cccc3)CCOCC2)ccc1-n1nc(C)cc1C ZINC000218410189 568479977 /nfs/dbraw/zinc/47/99/77/568479977.db2.gz IPGKPGNULGDNET-UHFFFAOYSA-N 0 0 408.502 3.834 50 70 HHIARN C[C@](O)(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2s1 ZINC000217520108 568887873 /nfs/dbraw/zinc/88/78/73/568887873.db2.gz JKMFATHIADVCOA-IBGZPJMESA-N 0 0 422.428 3.883 50 70 HHIARN COC(=O)[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000217638556 568900984 /nfs/dbraw/zinc/90/09/84/568900984.db2.gz QUFRWXACUFKDEY-JXFKEZNVSA-N 0 0 412.530 3.549 50 70 biogenic HHIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCC1=CCCCC1 ZINC000217722354 568908254 /nfs/dbraw/zinc/90/82/54/568908254.db2.gz GQRLCOCYTUWDPR-QHCPKHFHSA-N 0 0 415.493 3.808 50 70 biogenic HHIARN O=C(c1ccccc1C(F)(F)F)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217839920 568915467 /nfs/dbraw/zinc/91/54/67/568915467.db2.gz KGESZMAIHNQWND-CYBMUJFWSA-N 0 0 417.391 3.640 50 70 HHIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1nccs1 ZINC000217907833 568919011 /nfs/dbraw/zinc/91/90/11/568919011.db2.gz PIKJSMUYOASRNW-IBGZPJMESA-N 0 0 418.478 3.677 50 70 biogenic HHIARN COc1ccccc1Cn1cc(C(=O)Nc2nnc(C(C)C)[nH]2)c2ccccc2c1=O ZINC000218240416 568476715 /nfs/dbraw/zinc/47/67/15/568476715.db2.gz RMKSRVKDWWIPQE-UHFFFAOYSA-N 0 0 417.469 3.552 50 70 HHIARN COC(=O)[C@@H](NC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(C)C ZINC000218276965 568477332 /nfs/dbraw/zinc/47/73/32/568477332.db2.gz UQMYCQOKWIYTOK-CABCVRRESA-N 0 0 402.318 3.819 50 70 HHIARN Cc1csc(-c2cccc(CNC(=O)[C@@H](C)n3cnc4ccccc4c3=O)c2)n1 ZINC000218437690 568480336 /nfs/dbraw/zinc/48/03/36/568480336.db2.gz MVIJXOTUGVQTJG-OAHLLOKOSA-N 0 0 404.495 3.706 50 70 HHIARN O=S(=O)(c1ccc(-c2cccc(C(F)(F)F)c2)cc1)N1CC[C@H](n2ccnn2)C1 ZINC000217689611 568905934 /nfs/dbraw/zinc/90/59/34/568905934.db2.gz BXXZIBQKQVVPKT-KRWDZBQOSA-N 0 0 422.432 3.600 50 70 HHIARN O=C(c1cc2ccccc2s1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217847112 568915795 /nfs/dbraw/zinc/91/57/95/568915795.db2.gz DIRGZGSIJGPJJJ-CQSZACIVSA-N 0 0 405.483 3.836 50 70 HHIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1ccc2cc[nH]c2c1 ZINC000217915530 568919546 /nfs/dbraw/zinc/91/95/46/568919546.db2.gz NNEYFXJAWBWBGN-QHCPKHFHSA-N 0 0 422.444 3.921 50 70 biogenic HHIARN CC(C)Cn1nc(CC(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc2c1=O ZINC000217939961 568920323 /nfs/dbraw/zinc/92/03/23/568920323.db2.gz IZJYEECTGCATIQ-QFIPXVFZSA-N 0 0 404.514 3.744 50 70 biogenic HHIARN O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1CCCC[C@H]1c1cccnc1 ZINC000218099055 568925475 /nfs/dbraw/zinc/92/54/75/568925475.db2.gz UZARMPYQXQVADB-NRFANRHFSA-N 0 0 404.466 3.809 50 70 biogenic HHIARN CSCC[C@H](NC(=O)c1cc(-c2cccnc2)n[nH]1)c1nc2ccccc2n1C ZINC000218266486 568477086 /nfs/dbraw/zinc/47/70/86/568477086.db2.gz PHBFKUGCQYHXHK-INIZCTEOSA-N 0 0 406.515 3.583 50 70 HHIARN CC(C)[C@H](NC(=O)c1nn(C)c(=O)c2ccccc21)c1nc2ccccc2n1C(C)C ZINC000218332334 568478566 /nfs/dbraw/zinc/47/85/66/568478566.db2.gz JHNYAEYOTIIFCK-FQEVSTJZSA-N 0 0 417.513 3.991 50 70 HHIARN O=C(NCCc1c[nH]c2ccccc12)c1cc(=O)c(OCc2ccccc2F)co1 ZINC000218335315 568478585 /nfs/dbraw/zinc/47/85/85/568478585.db2.gz XNSKFWFNPKDUQG-UHFFFAOYSA-N 0 0 406.413 3.812 50 70 HHIARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1nnc(CCc2ccccc2)[nH]1 ZINC000218400540 568479769 /nfs/dbraw/zinc/47/97/69/568479769.db2.gz DDHVGRXWKZBTIL-UHFFFAOYSA-N 0 0 400.486 3.704 50 70 HHIARN O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)c1ccc2ncsc2c1 ZINC000217487420 568884455 /nfs/dbraw/zinc/88/44/55/568884455.db2.gz KZZKKIUFCVNTRQ-UHFFFAOYSA-N 0 0 414.450 3.979 50 70 HHIARN COc1ccc(S(=O)(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)cc1C ZINC000217881870 568918023 /nfs/dbraw/zinc/91/80/23/568918023.db2.gz ABPXUUSWXCNLAI-UHFFFAOYSA-N 0 0 417.556 3.785 50 70 HHIARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1ccccc1O)C(=O)OC2 ZINC000217890095 568918176 /nfs/dbraw/zinc/91/81/76/568918176.db2.gz MVNDUZVFLBRSDK-MDWZMJQESA-N 0 0 411.454 3.993 50 70 biogenic HHIARN Cc1nc(-c2ccc(S(=O)(=O)NC[C@](C)(O)c3cc4ccccc4o3)cc2)co1 ZINC000218001562 568922423 /nfs/dbraw/zinc/92/24/23/568922423.db2.gz CQJVARFSOYAXSZ-NRFANRHFSA-N 0 0 412.467 3.582 50 70 HHIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2[nH]c(C)cc(=O)c2c1 ZINC000218043378 568924760 /nfs/dbraw/zinc/92/47/60/568924760.db2.gz FOABRRUONJRHCD-GOSISDBHSA-N 0 0 408.410 3.506 50 70 biogenic HHIARN Cc1cc2c(c(=O)o1)[C@H](c1ccccc1OCCc1ccc3c(c1)CCO3)CC(=O)O2 ZINC000218089445 568925417 /nfs/dbraw/zinc/92/54/17/568925417.db2.gz CFPBIIQDKOTUJF-IBGZPJMESA-N 0 0 418.445 3.946 50 70 biogenic HHIARN CC(C)[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1nc2ccccc2n1C(C)C ZINC000218149923 568475848 /nfs/dbraw/zinc/47/58/48/568475848.db2.gz MGUDCHHEBWKUEP-QFIPXVFZSA-N 0 0 417.513 3.910 50 70 HHIARN CC(C)[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2n1C(C)C ZINC000218210326 568476378 /nfs/dbraw/zinc/47/63/78/568476378.db2.gz ZAAXSRQCFDDDPG-IBGZPJMESA-N 0 0 409.538 3.777 50 70 HHIARN COc1ccc2ncc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)c(O)c2c1 ZINC000218368255 568479301 /nfs/dbraw/zinc/47/93/01/568479301.db2.gz PEVLPDBDAKWIPW-UHFFFAOYSA-N 0 0 412.873 3.726 50 70 HHIARN O=C(COc1ccc(Cl)cc1)Nc1ccccc1Cc1nc(-c2cnccn2)no1 ZINC000217488169 568884472 /nfs/dbraw/zinc/88/44/72/568884472.db2.gz VSHGLARHPQQYCF-UHFFFAOYSA-N 0 0 421.844 3.788 50 70 HHIARN COc1ccc(Cl)cc1S(=O)(=O)NC[C@@](C)(O)c1cc2ccccc2s1 ZINC000217514160 568887775 /nfs/dbraw/zinc/88/77/75/568887775.db2.gz GSONYAIMXPCFNN-GOSISDBHSA-N 0 0 411.932 3.749 50 70 HHIARN COc1cc([C@H]2CC(=O)Oc3ccc4c(=O)c(Cl)coc4c32)cc(OC)c1OC ZINC000217592260 568896244 /nfs/dbraw/zinc/89/62/44/568896244.db2.gz HSWAIDIGGDFGNM-GFCCVEGCSA-N 0 0 416.813 3.913 50 70 biogenic HHIARN Cc1nc(-c2ccc(S(=O)(=O)NC[C@@](C)(O)c3cc4ccccc4o3)cc2)co1 ZINC000218001650 568922478 /nfs/dbraw/zinc/92/24/78/568922478.db2.gz CQJVARFSOYAXSZ-OAQYLSRUSA-N 0 0 412.467 3.582 50 70 HHIARN CC1(C)OC(=O)C[C@@H]1C(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000218602183 568939452 /nfs/dbraw/zinc/93/94/52/568939452.db2.gz APLYEPWYKRLRID-HXUWFJFHSA-N 0 0 406.482 3.747 50 70 HHIARN O=C(CC1(n2cccc2)CCOCC1)Nc1ccc2[nH]c(-c3cccnc3)nc2c1 ZINC000218171737 568475972 /nfs/dbraw/zinc/47/59/72/568475972.db2.gz DLARGFZIOAVZII-UHFFFAOYSA-N 0 0 401.470 3.961 50 70 HHIARN CC(C)[C@H](NC(=O)c1ccccc1-n1cnnn1)c1nc2ccccc2n1C(C)C ZINC000218597617 568482269 /nfs/dbraw/zinc/48/22/69/568482269.db2.gz OEQCROFRXIZUBQ-FQEVSTJZSA-N 0 0 403.490 3.720 50 70 HHIARN COc1cccc([C@H](c2sc3nc(C)nn3c2[O-])[NH+]2CCCCCC2)c1OC ZINC000218310938 568837730 /nfs/dbraw/zinc/83/77/30/568837730.db2.gz VLWTYEWGVGMGKQ-MRXNPFEDSA-N 0 0 402.520 3.787 50 70 HHIARN COc1cc([C@@H]2CC(=O)Oc3ccc4c(=O)c(Cl)coc4c32)cc(OC)c1OC ZINC000217592190 568896301 /nfs/dbraw/zinc/89/63/01/568896301.db2.gz HSWAIDIGGDFGNM-LBPRGKRZSA-N 0 0 416.813 3.913 50 70 biogenic HHIARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3-c3cn4ccsc4n3)nn2)n1 ZINC000217650060 568901731 /nfs/dbraw/zinc/90/17/31/568901731.db2.gz GYTIOVTXDKXLKE-UHFFFAOYSA-N 0 0 415.482 3.908 50 70 HHIARN CC1(C)Cc2cccc(OCC(=O)N3CCC[C@@H](Cc4nc(C5CC5)no4)C3)c2O1 ZINC000217805239 568913575 /nfs/dbraw/zinc/91/35/75/568913575.db2.gz BLDCZOBRMPEDNX-HNNXBMFYSA-N 0 0 411.502 3.521 50 70 HHIARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217822223 568914594 /nfs/dbraw/zinc/91/45/94/568914594.db2.gz YMGAVRRQNQCEPR-LBPRGKRZSA-N 0 0 415.437 3.609 50 70 HHIARN COC(=O)c1ccccc1C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1 ZINC000217829144 568914690 /nfs/dbraw/zinc/91/46/90/568914690.db2.gz LUKGMYFNBKMQPS-KRWDZBQOSA-N 0 0 419.481 3.927 50 70 HHIARN CC(C)n1ccc2c1cccc2NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000218108847 568925711 /nfs/dbraw/zinc/92/57/11/568925711.db2.gz MKEIUTURJGHPGX-QRFRQXIXSA-N 0 0 400.548 3.887 50 70 biogenic HHIARN CSCC[C@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1nc2ccccc2n1C ZINC000218346532 568478894 /nfs/dbraw/zinc/47/88/94/568478894.db2.gz CRXWKVDZFFDSTG-SFHVURJKSA-N 0 0 406.511 3.639 50 70 HHIARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1-n1cnnn1)c1nc2ccccc2[nH]1 ZINC000218536977 568481502 /nfs/dbraw/zinc/48/15/02/568481502.db2.gz CHDUHEUDLGIMQT-KRWDZBQOSA-N 0 0 409.881 3.709 50 70 HHIARN COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000217628962 568899683 /nfs/dbraw/zinc/89/96/83/568899683.db2.gz SSJKUCDOQITHMP-CQSZACIVSA-N 0 0 420.375 3.956 50 70 HHIARN CC1(C)Cc2cccc(OCC(=O)N3CCC[C@H](Cc4nc(C5CC5)no4)C3)c2O1 ZINC000217805184 568913568 /nfs/dbraw/zinc/91/35/68/568913568.db2.gz BLDCZOBRMPEDNX-OAHLLOKOSA-N 0 0 411.502 3.521 50 70 HHIARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)c(OC)c1OC ZINC000217813195 568913940 /nfs/dbraw/zinc/91/39/40/568913940.db2.gz OMDCDJVMRBGSCW-CQSZACIVSA-N 0 0 412.438 3.897 50 70 biogenic HHIARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCn1sc2ccccc2c1=O)CC3 ZINC000217895448 568918625 /nfs/dbraw/zinc/91/86/25/568918625.db2.gz IMGAAPMZFYREOJ-UHFFFAOYSA-N 0 0 407.495 3.528 50 70 biogenic HHIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1cccc2[nH]ccc21 ZINC000217887867 569065683 /nfs/dbraw/zinc/06/56/83/569065683.db2.gz GMRDGPOWMOCXID-HSZRJFAPSA-N 0 0 422.444 3.921 50 70 biogenic HHIARN CSCC[C@H](NC(=O)c1ccc2c(c1)OCCCO2)c1nc2ccccc2n1C ZINC000218255806 568476947 /nfs/dbraw/zinc/47/69/47/568476947.db2.gz DKWUASDNCAKNOU-KRWDZBQOSA-N 0 0 411.527 3.959 50 70 HHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)Cn1ccc2cc(OC)ccc21 ZINC000218269907 568477200 /nfs/dbraw/zinc/47/72/00/568477200.db2.gz QOPOWSGARHOVCP-INIZCTEOSA-N 0 0 406.486 3.523 50 70 HHIARN Cc1cc(C)nc(N2CCC[C@@H](C(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)C2)n1 ZINC000218370544 568479424 /nfs/dbraw/zinc/47/94/24/568479424.db2.gz AJNRRDLQPSGJPM-XLIONFOSSA-N 0 0 406.534 3.700 50 70 HHIARN C[C@](O)(CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cc2ccccc2s1 ZINC000217513475 568887805 /nfs/dbraw/zinc/88/78/05/568887805.db2.gz GQWWBHXYTVTYPB-NRFANRHFSA-N 0 0 401.553 3.966 50 70 HHIARN COc1ccc(-c2ccc(S(=O)(=O)NCCSC3CCOCC3)cc2)cc1 ZINC000217711151 568907276 /nfs/dbraw/zinc/90/72/76/568907276.db2.gz SIORLJDBASKSGT-UHFFFAOYSA-N 0 0 407.557 3.553 50 70 HHIARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)c(OC)c1OC ZINC000217813114 568914046 /nfs/dbraw/zinc/91/40/46/568914046.db2.gz OMDCDJVMRBGSCW-AWEZNQCLSA-N 0 0 412.438 3.897 50 70 biogenic HHIARN COc1cc([C@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc2c1OCCO2 ZINC000217839479 568915483 /nfs/dbraw/zinc/91/54/83/568915483.db2.gz DJJGOKGNVJQBPR-CQSZACIVSA-N 0 0 410.422 3.651 50 70 biogenic HHIARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(Cl)coc4c32)c(OC)c1OC ZINC000217859647 568916547 /nfs/dbraw/zinc/91/65/47/568916547.db2.gz PRCDEAUGXXUEMS-LBPRGKRZSA-N 0 0 416.813 3.913 50 70 biogenic HHIARN Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccco2)o1 ZINC000217877276 568917264 /nfs/dbraw/zinc/91/72/64/568917264.db2.gz BMECWUFOBONSJT-QGZVFWFLSA-N 0 0 418.449 3.835 50 70 biogenic HHIARN COCCn1cc(CC(=O)NCCn2ccc3c2cccc3OC)c2ccccc21 ZINC000218013888 568923372 /nfs/dbraw/zinc/92/33/72/568923372.db2.gz IOYYQXDJTDQZJF-UHFFFAOYSA-N 0 0 405.498 3.610 50 70 biogenic HHIARN COc1ccc([C@@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)cc1 ZINC000218115356 568925951 /nfs/dbraw/zinc/92/59/51/568925951.db2.gz BPBZEUUOJWMZNO-FQEVSTJZSA-N 0 0 405.450 3.555 50 70 biogenic HHIARN Cc1cc(=O)oc2cc(OCC(=O)N[C@H](c3nc4ccccc4n3C)C(C)C)ccc12 ZINC000217729374 568473678 /nfs/dbraw/zinc/47/36/78/568473678.db2.gz CWAIEYRKISNHLO-QHCPKHFHSA-N 0 0 419.481 3.880 50 70 biogenic HHIARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1nc2ccccc2n1C ZINC000218119963 568475239 /nfs/dbraw/zinc/47/52/39/568475239.db2.gz AMMPNECJVSNQEP-BTYIYWSLSA-N 0 0 408.477 3.579 50 70 HHIARN CC(C)Cn1c(CCCNC(=O)C[C@H]2NC(=O)c3ccccc32)nc2ccccc21 ZINC000218202587 568476226 /nfs/dbraw/zinc/47/62/26/568476226.db2.gz FFIBVSJYHNOPKZ-HXUWFJFHSA-N 0 0 404.514 3.616 50 70 HHIARN COc1cccc2c(O)c(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cnc12 ZINC000218247477 568476848 /nfs/dbraw/zinc/47/68/48/568476848.db2.gz LKEBXKCIVGYBPN-UHFFFAOYSA-N 0 0 412.873 3.726 50 70 HHIARN COc1ccc2c(c1)c(-c1csc(NC(=O)[C@H]3CC(=O)OC3(C)C)n1)c(C)n2C ZINC000218600798 568482384 /nfs/dbraw/zinc/48/23/84/568482384.db2.gz LXIKXWBQWWVJMG-CQSZACIVSA-N 0 0 413.499 3.899 50 70 HHIARN O=C(CSCc1ccccc1)Nc1ccccc1Cc1nc(-c2cnccn2)no1 ZINC000217488285 568884434 /nfs/dbraw/zinc/88/44/34/568884434.db2.gz SPDKXOXGLULXRZ-UHFFFAOYSA-N 0 0 417.494 3.989 50 70 HHIARN CCc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4CCC[C@H]34)C2O)cc1 ZINC000217583362 568895216 /nfs/dbraw/zinc/89/52/16/568895216.db2.gz YFMMOCVQZBMPGN-ANULTFPQSA-N 0 0 422.912 3.738 50 70 HHIARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1cn(C)c(=O)c2ccccc12 ZINC000217989439 569039142 /nfs/dbraw/zinc/03/91/42/569039142.db2.gz NFERPGGBBAZEFF-NRFANRHFSA-N 0 0 401.466 3.836 50 70 biogenic HHIARN Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H](CC(C)C)c2nc3ccccc3n2C)[nH]n1 ZINC000218418062 568480129 /nfs/dbraw/zinc/48/01/29/568480129.db2.gz RYAVXEHGOGCTST-SFHVURJKSA-N 0 0 419.533 3.831 50 70 HHIARN COc1cccc(N2C[C@@H](C(=O)N3CCCC[C@@H](c4ccc(F)cc4)C3)CC2=O)c1 ZINC000217492773 568885499 /nfs/dbraw/zinc/88/54/99/568885499.db2.gz YPXPFPLFVHJXFJ-MOPGFXCFSA-N 0 0 410.489 3.984 50 70 HHIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1cccnc1 ZINC000217645961 568901759 /nfs/dbraw/zinc/90/17/59/568901759.db2.gz UQAFMHIHHUWQKE-JOCHJYFZSA-N 0 0 412.449 3.615 50 70 biogenic HHIARN Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217667207 568903699 /nfs/dbraw/zinc/90/36/99/568903699.db2.gz JNHTYHWYAMTQKP-INIZCTEOSA-N 0 0 402.907 3.543 50 70 HHIARN CC(C)CCNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000217812704 568913766 /nfs/dbraw/zinc/91/37/66/568913766.db2.gz YGQZLVXPRKXDGS-QFIPXVFZSA-N 0 0 405.498 3.744 50 70 biogenic HHIARN CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1nc2ccccc2n1C ZINC000218120048 568475236 /nfs/dbraw/zinc/47/52/36/568475236.db2.gz AMMPNECJVSNQEP-VFNWGFHPSA-N 0 0 408.477 3.579 50 70 HHIARN COC(=O)C[C@H](c1oc(CN2CCCCC2)cc(=O)c1O)c1c(F)cccc1Cl ZINC000218287278 568477585 /nfs/dbraw/zinc/47/75/85/568477585.db2.gz YOWIRRRLNLFQOG-AWEZNQCLSA-N 0 0 423.868 3.819 50 70 HHIARN COC(=O)C[C@@H](c1oc(CN2CCCCC2)cc(=O)c1O)c1c(F)cccc1Cl ZINC000218287337 568477688 /nfs/dbraw/zinc/47/76/88/568477688.db2.gz YOWIRRRLNLFQOG-CQSZACIVSA-N 0 0 423.868 3.819 50 70 HHIARN O=C(CSc1nc2ccccc2o1)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 ZINC000218249026 568836987 /nfs/dbraw/zinc/83/69/87/568836987.db2.gz BIDOPVOSDPPJMQ-HNNXBMFYSA-N 0 0 422.466 3.595 50 70 HHIARN CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000217670785 568903884 /nfs/dbraw/zinc/90/38/84/568903884.db2.gz UNPXWFABCBMFOZ-IBGZPJMESA-N 0 0 409.559 3.693 50 70 biogenic HHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(-c2ccccc2OC)n[nH]1 ZINC000218224917 568476614 /nfs/dbraw/zinc/47/66/14/568476614.db2.gz GOJXBOKYUIAERR-HNNXBMFYSA-N 0 0 419.485 3.572 50 70 HHIARN COc1cccc2c1ccn2CCNC(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000218257206 568476969 /nfs/dbraw/zinc/47/69/69/568476969.db2.gz GCCTZZNGBACVDY-UHFFFAOYSA-N 0 0 402.498 3.811 50 70 HHIARN CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000217670876 568903825 /nfs/dbraw/zinc/90/38/25/568903825.db2.gz UNPXWFABCBMFOZ-LJQANCHMSA-N 0 0 409.559 3.693 50 70 biogenic HHIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCc1ccccc1 ZINC000217675375 568904903 /nfs/dbraw/zinc/90/49/03/568904903.db2.gz JJKVJKDEMICPSB-HSZRJFAPSA-N 0 0 411.461 3.508 50 70 biogenic HHIARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(Cl)coc4c32)c(OC)c1OC ZINC000217859716 568916450 /nfs/dbraw/zinc/91/64/50/568916450.db2.gz PRCDEAUGXXUEMS-GFCCVEGCSA-N 0 0 416.813 3.913 50 70 biogenic HHIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1nccs1 ZINC000217907754 568919094 /nfs/dbraw/zinc/91/90/94/568919094.db2.gz PIKJSMUYOASRNW-LJQANCHMSA-N 0 0 418.478 3.677 50 70 biogenic HHIARN CSCC[C@H](NC(=O)c1cc(=O)[nH]c2ccccc21)c1nc2ccccc2n1C ZINC000218130699 568475431 /nfs/dbraw/zinc/47/54/31/568475431.db2.gz ZUSZNMRDLOOJGC-SFHVURJKSA-N 0 0 406.511 3.639 50 70 HHIARN CC(=O)Nc1cccc2c1ccn2CC(=O)N[C@@H](CC(C)C)c1nnc2ccccn21 ZINC000218151621 568475889 /nfs/dbraw/zinc/47/58/89/568475889.db2.gz FUPLMRRFZXLGCS-IBGZPJMESA-N 0 0 418.501 3.546 50 70 HHIARN CC(C)[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1nc2ccccc2n1C(C)C ZINC000218364893 568479287 /nfs/dbraw/zinc/47/92/87/568479287.db2.gz XWFFUVOCYYTBGN-FQEVSTJZSA-N 0 0 403.490 3.720 50 70 HHIARN Cc1cc(C)nc(N2CCC(C(=O)N[C@H](c3nc4ccccc4n3C)C(C)C)CC2)n1 ZINC000218370196 568479341 /nfs/dbraw/zinc/47/93/41/568479341.db2.gz DBBVWRWNNNTXGA-NRFANRHFSA-N 0 0 420.561 3.710 50 70 HHIARN Cc1cc(C)nc(N2CCC[C@H](C(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)C2)n1 ZINC000218370465 568479379 /nfs/dbraw/zinc/47/93/79/568479379.db2.gz AJNRRDLQPSGJPM-PXNSSMCTSA-N 0 0 406.534 3.700 50 70 HHIARN COc1ccc(CNc2nc(C(=O)N3CCO[C@H](c4ccccc4)C3)cs2)cc1 ZINC000218190503 568832306 /nfs/dbraw/zinc/83/23/06/568832306.db2.gz SHNOLQUHGVUDKY-FQEVSTJZSA-N 0 0 409.511 3.978 50 70 HHIARN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@](C)(O)c1cc2ccccc2s1 ZINC000217519715 568887969 /nfs/dbraw/zinc/88/79/69/568887969.db2.gz ZTWCTYNTZHLMBO-HXUWFJFHSA-N 0 0 402.903 3.826 50 70 HHIARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217822136 568914515 /nfs/dbraw/zinc/91/45/15/568914515.db2.gz YMGAVRRQNQCEPR-GFCCVEGCSA-N 0 0 415.437 3.609 50 70 HHIARN CC(C)NC(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000217823317 568914561 /nfs/dbraw/zinc/91/45/61/568914561.db2.gz XIMOTPPFRCZDCO-JOCHJYFZSA-N 0 0 405.498 3.886 50 70 biogenic HHIARN O=C(c1ccccc1C(F)(F)F)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217840012 568915557 /nfs/dbraw/zinc/91/55/57/568915557.db2.gz KGESZMAIHNQWND-ZDUSSCGKSA-N 0 0 417.391 3.640 50 70 HHIARN COc1cc2c(c(OC)c1OC)[C@H](c1cc3cc(C)cc(C)c3[nH]c1=O)CC(=O)O2 ZINC000218097965 568925601 /nfs/dbraw/zinc/92/56/01/568925601.db2.gz UDRPPRLXXJNICF-AWEZNQCLSA-N 0 0 409.438 3.612 50 70 biogenic HHIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1cccc2[nH]ccc21 ZINC000217887936 569065700 /nfs/dbraw/zinc/06/57/00/569065700.db2.gz GMRDGPOWMOCXID-QHCPKHFHSA-N 0 0 422.444 3.921 50 70 biogenic HHIARN CC(C)Cc1ccc(-c2cc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)[nH]n2)cc1 ZINC000218228739 568476579 /nfs/dbraw/zinc/47/65/79/568476579.db2.gz ODBHWLRXOUKUHB-UHFFFAOYSA-N 0 0 418.423 3.542 50 70 HHIARN Cc1cc(C)nc(N2CCC[C@H](C(=O)N[C@H](c3nc4ccccc4n3C)C(C)C)C2)n1 ZINC000218241105 568476751 /nfs/dbraw/zinc/47/67/51/568476751.db2.gz JDNZDALQCFDGCF-RXVVDRJESA-N 0 0 420.561 3.710 50 70 HHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000218309288 568478227 /nfs/dbraw/zinc/47/82/27/568478227.db2.gz ZIFRMZCMWICMJC-SFHVURJKSA-N 0 0 407.514 3.608 50 70 HHIARN COC(=O)C[C@H](c1ccco1)c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000218332037 568478621 /nfs/dbraw/zinc/47/86/21/568478621.db2.gz HUOBCSJBEJDDJB-MRXNPFEDSA-N 0 0 410.470 3.685 50 70 HHIARN C[C@@](O)(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2s1 ZINC000217520036 568887999 /nfs/dbraw/zinc/88/79/99/568887999.db2.gz JKMFATHIADVCOA-LJQANCHMSA-N 0 0 422.428 3.883 50 70 HHIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1cccnc1 ZINC000217646052 568901737 /nfs/dbraw/zinc/90/17/37/568901737.db2.gz UQAFMHIHHUWQKE-QFIPXVFZSA-N 0 0 412.449 3.615 50 70 biogenic HHIARN O=S(=O)(c1cccc2ccccc21)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217667577 568903594 /nfs/dbraw/zinc/90/35/94/568903594.db2.gz OFGMBGUQODYPTC-LJQANCHMSA-N 0 0 404.495 3.734 50 70 HHIARN O=C(CC1(n2cccc2)CCOCC1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000218177856 568927263 /nfs/dbraw/zinc/92/72/63/568927263.db2.gz MTIHVMSLZUUDJC-UHFFFAOYSA-N 0 0 402.922 3.548 50 70 HHIARN CC(C)C[C@H](NC(=O)CCCCCNC(=O)c1cnccn1)c1nc2ccccc2[nH]1 ZINC000218436108 568480303 /nfs/dbraw/zinc/48/03/03/568480303.db2.gz KFCQRBUMYSVSQX-IBGZPJMESA-N 0 0 422.533 3.547 50 70 HHIARN CC(C)CN1C[C@H](C(=O)N2CCC[C@H]2c2nc3ccccc3n2CC(C)C)CC1=O ZINC000218467647 568480803 /nfs/dbraw/zinc/48/08/03/568480803.db2.gz VPWZFPQUNDMWRF-NQIIRXRSSA-N 0 0 410.562 3.860 50 70 HHIARN COc1cccc([C@@H](c2sc3nc(C)nn3c2[O-])[NH+]2CCCCCC2)c1OC ZINC000218310891 568837666 /nfs/dbraw/zinc/83/76/66/568837666.db2.gz VLWTYEWGVGMGKQ-INIZCTEOSA-N 0 0 402.520 3.787 50 70 HHIARN COc1ccc(-n2ncc(C(=O)Nc3ccc(NC(C)=O)cc3)c2-n2cccc2)cc1 ZINC000218381451 568840125 /nfs/dbraw/zinc/84/01/25/568840125.db2.gz ZFDANBZATAVXKF-UHFFFAOYSA-N 0 0 415.453 3.882 50 70 HHIARN COc1cccc(N2C[C@@H](C(=O)N3CCCC[C@H](c4ccc(F)cc4)C3)CC2=O)c1 ZINC000217492614 568885432 /nfs/dbraw/zinc/88/54/32/568885432.db2.gz YPXPFPLFVHJXFJ-OALUTQOASA-N 0 0 410.489 3.984 50 70 HHIARN Cn1cc([C@@H](O)CNC(=O)CCc2ccccc2Br)c2ccccc21 ZINC000217575847 568894148 /nfs/dbraw/zinc/89/41/48/568894148.db2.gz YBSXDJQXLJJOIF-IBGZPJMESA-N 0 0 401.304 3.723 50 70 HHIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(NC(=O)C2CCC2)c1 ZINC000218333100 568929445 /nfs/dbraw/zinc/92/94/45/568929445.db2.gz SJQHXMBORJQZRX-SFHVURJKSA-N 0 0 424.453 3.683 50 70 HHIARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1cn(C)c(=O)c2ccccc12 ZINC000217989519 569039127 /nfs/dbraw/zinc/03/91/27/569039127.db2.gz NFERPGGBBAZEFF-OAQYLSRUSA-N 0 0 401.466 3.836 50 70 biogenic HHIARN Cc1ccc(CCNC(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cn1 ZINC000217147188 568470777 /nfs/dbraw/zinc/47/07/77/568470777.db2.gz FMVVDZDYNKOZDI-UHFFFAOYSA-N 0 0 406.461 3.823 50 70 HHIARN COc1ccc(CNc2nc(C(=O)N3CCN(Cc4ccccc4)CC3)cs2)cc1 ZINC000218300675 568478108 /nfs/dbraw/zinc/47/81/08/568478108.db2.gz QEXGUGRPQBNNAG-UHFFFAOYSA-N 0 0 422.554 3.722 50 70 HHIARN CSCC[C@H](NC(=O)Cc1csc(-n2cccc2)n1)c1nc2ccccc2[nH]1 ZINC000218506618 568481140 /nfs/dbraw/zinc/48/11/40/568481140.db2.gz QKCHBYHKLLRWEC-KRWDZBQOSA-N 0 0 411.556 3.963 50 70 HHIARN O=C(CSc1nc2ccccc2o1)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000218248953 568836966 /nfs/dbraw/zinc/83/69/66/568836966.db2.gz BIDOPVOSDPPJMQ-OAHLLOKOSA-N 0 0 422.466 3.595 50 70 HHIARN COc1cccc(N2C[C@H](C(=O)N3CCCC[C@H](c4ccc(F)cc4)C3)CC2=O)c1 ZINC000217492535 568885474 /nfs/dbraw/zinc/88/54/74/568885474.db2.gz YPXPFPLFVHJXFJ-RBUKOAKNSA-N 0 0 410.489 3.984 50 70 HHIARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)c1C ZINC000217823618 568914676 /nfs/dbraw/zinc/91/46/76/568914676.db2.gz AWYONKTVKRDDCJ-KRWDZBQOSA-N 0 0 403.548 3.824 50 70 HHIARN Cn1nc(CN(Cc2ccco2)C(=O)c2cc(=O)c3ccccc3o2)cc1C1CC1 ZINC000217895185 568918687 /nfs/dbraw/zinc/91/86/87/568918687.db2.gz LDXHSTQNRMQUHR-UHFFFAOYSA-N 0 0 403.438 3.840 50 70 HHIARN Cn1nc(CN(Cc2ccco2)C(=O)C2(c3ccccc3)CCOCC2)c2c1CCC2 ZINC000217905270 568919131 /nfs/dbraw/zinc/91/91/31/568919131.db2.gz RMFWWYPIVAWLBH-UHFFFAOYSA-N 0 0 419.525 3.779 50 70 HHIARN Cc1cc2c(c(=O)o1)[C@@H](c1ccccc1OCCc1ccc3c(c1)CCO3)CC(=O)O2 ZINC000218089525 568925322 /nfs/dbraw/zinc/92/53/22/568925322.db2.gz CFPBIIQDKOTUJF-LJQANCHMSA-N 0 0 418.445 3.946 50 70 biogenic HHIARN COc1cc2c(c(OC)c1OC)[C@@H](c1cc3cc(C)cc(C)c3[nH]c1=O)CC(=O)O2 ZINC000218097890 568925508 /nfs/dbraw/zinc/92/55/08/568925508.db2.gz UDRPPRLXXJNICF-CQSZACIVSA-N 0 0 409.438 3.612 50 70 biogenic HHIARN CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000218265999 568477076 /nfs/dbraw/zinc/47/70/76/568477076.db2.gz ZPZUWPNHNBNXAM-CTNGQTDRSA-N 0 0 418.541 3.825 50 70 HHIARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCCc1nnc2ccccn21 ZINC000218597982 568482283 /nfs/dbraw/zinc/48/22/83/568482283.db2.gz FJPNRSUSDPLGMR-LJQANCHMSA-N 0 0 403.486 3.736 50 70 HHIARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCc1nnc2ccccn21 ZINC000218597914 568482299 /nfs/dbraw/zinc/48/22/99/568482299.db2.gz FJPNRSUSDPLGMR-IBGZPJMESA-N 0 0 403.486 3.736 50 70 HHIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1ccccc1O ZINC000217631195 568899799 /nfs/dbraw/zinc/89/97/99/568899799.db2.gz MRDJFFKNMHJPAD-QFIPXVFZSA-N 0 0 413.433 3.536 50 70 biogenic HHIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCc1ccccc1 ZINC000217675460 568904966 /nfs/dbraw/zinc/90/49/66/568904966.db2.gz JJKVJKDEMICPSB-QHCPKHFHSA-N 0 0 411.461 3.508 50 70 biogenic HHIARN O=S(=O)(NCCn1ccc(-c2ccsc2)n1)c1cccc(C(F)(F)F)c1 ZINC000217892991 568918662 /nfs/dbraw/zinc/91/86/62/568918662.db2.gz MFYJMDBZEYRUSK-UHFFFAOYSA-N 0 0 401.435 3.609 50 70 HHIARN CC(C)Cn1c(CCCNC(=O)C[C@@H]2NC(=O)c3ccccc32)nc2ccccc21 ZINC000218202506 568476234 /nfs/dbraw/zinc/47/62/34/568476234.db2.gz FFIBVSJYHNOPKZ-FQEVSTJZSA-N 0 0 404.514 3.616 50 70 HHIARN CC(C)[C@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2n1C(C)C ZINC000218387638 568479576 /nfs/dbraw/zinc/47/95/76/568479576.db2.gz LNLPFUOCOYKBID-FQEVSTJZSA-N 0 0 421.480 3.859 50 70 HHIARN COc1ccc2c(c1)c(-c1csc(NC(=O)[C@@H]3CC(=O)OC3(C)C)n1)c(C)n2C ZINC000218600721 568482380 /nfs/dbraw/zinc/48/23/80/568482380.db2.gz LXIKXWBQWWVJMG-AWEZNQCLSA-N 0 0 413.499 3.899 50 70 HHIARN CSc1ccccc1NC(=O)C(=O)NC[C@](C)(O)c1cc2ccccc2s1 ZINC000217519522 568887898 /nfs/dbraw/zinc/88/78/98/568887898.db2.gz KCRRWVRYUPQRFJ-FQEVSTJZSA-N 0 0 400.525 3.586 50 70 HHIARN COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000217629038 568899720 /nfs/dbraw/zinc/89/97/20/568899720.db2.gz SSJKUCDOQITHMP-AWEZNQCLSA-N 0 0 420.375 3.956 50 70 HHIARN COc1ccc2cc([C@@H]3CC(=O)Oc4ccc5c(=O)c(Cl)coc5c43)c(=O)[nH]c2c1 ZINC000217825295 568914771 /nfs/dbraw/zinc/91/47/71/568914771.db2.gz SQNLRFMYIFETQO-ZDUSSCGKSA-N 0 0 423.808 3.738 50 70 biogenic HHIARN CC(C)NC(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000217823406 568914820 /nfs/dbraw/zinc/91/48/20/568914820.db2.gz XIMOTPPFRCZDCO-QFIPXVFZSA-N 0 0 405.498 3.886 50 70 biogenic HHIARN Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccco2)o1 ZINC000217877354 568917257 /nfs/dbraw/zinc/91/72/57/568917257.db2.gz BMECWUFOBONSJT-KRWDZBQOSA-N 0 0 418.449 3.835 50 70 biogenic HHIARN Cc1cc(C)nc(N2CCC[C@@H](C(=O)N[C@H](c3nc4ccccc4n3C)C(C)C)C2)n1 ZINC000218241159 568476700 /nfs/dbraw/zinc/47/67/00/568476700.db2.gz JDNZDALQCFDGCF-NQIIRXRSSA-N 0 0 420.561 3.710 50 70 HHIARN COc1ccc(Cn2cc(C(=O)Nc3nnc(C(C)C)[nH]3)c3ccccc3c2=O)cc1 ZINC000218303595 568478123 /nfs/dbraw/zinc/47/81/23/568478123.db2.gz ULNRKJUJZPQKQH-UHFFFAOYSA-N 0 0 417.469 3.552 50 70 HHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)Cn1ccc2c1cccc2OC ZINC000218374934 568479384 /nfs/dbraw/zinc/47/93/84/568479384.db2.gz SXYBBFBCJUZAGC-INIZCTEOSA-N 0 0 406.486 3.523 50 70 HHIARN CC(C)C[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1nc2ccccc2n1C ZINC000218394277 568479730 /nfs/dbraw/zinc/47/97/30/568479730.db2.gz SOXSWHXXASGVMP-FQEVSTJZSA-N 0 0 417.513 3.577 50 70 HHIARN COC(=O)c1ccccc1C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217797836 568912808 /nfs/dbraw/zinc/91/28/08/568912808.db2.gz SPAUECVYEJXTQA-HNNXBMFYSA-N 0 0 423.444 3.757 50 70 HHIARN COc1ccc2cc([C@H]3CC(=O)Oc4ccc5c(=O)c(Cl)coc5c43)c(=O)[nH]c2c1 ZINC000217825381 568914775 /nfs/dbraw/zinc/91/47/75/568914775.db2.gz SQNLRFMYIFETQO-CYBMUJFWSA-N 0 0 423.808 3.738 50 70 biogenic HHIARN c1ccc2c(c1)[nH]c1nnc(SCCSc3nnc4[nH]c5ccccc5n43)n21 ZINC000216961736 568469931 /nfs/dbraw/zinc/46/99/31/568469931.db2.gz HILPUJGAZFYSKO-UHFFFAOYSA-N 0 0 406.500 3.619 50 70 HHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)CCn1ccc2cc(OC)ccc21 ZINC000218329496 568478499 /nfs/dbraw/zinc/47/84/99/568478499.db2.gz HKJFPWQOSFXTLI-KRWDZBQOSA-N 0 0 420.513 3.914 50 70 HHIARN CCOc1cc(C=CC(=O)Nc2cc3c(cc2F)nc[nH]c3=O)ccc1OC(F)F ZINC000217540064 568709661 /nfs/dbraw/zinc/70/96/61/568709661.db2.gz SHNQVNJETRWPOQ-GQCTYLIASA-N 0 0 419.359 3.714 50 70 HHIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1ccccc1O ZINC000217631111 568899838 /nfs/dbraw/zinc/89/98/38/568899838.db2.gz MRDJFFKNMHJPAD-JOCHJYFZSA-N 0 0 413.433 3.536 50 70 biogenic HHIARN COC(=O)[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000217638634 568901037 /nfs/dbraw/zinc/90/10/37/568901037.db2.gz QUFRWXACUFKDEY-OXJNMPFZSA-N 0 0 412.530 3.549 50 70 biogenic HHIARN CC(C)CCNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000217812621 568913831 /nfs/dbraw/zinc/91/38/31/568913831.db2.gz YGQZLVXPRKXDGS-JOCHJYFZSA-N 0 0 405.498 3.744 50 70 biogenic HHIARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)c1C ZINC000217823535 568914697 /nfs/dbraw/zinc/91/46/97/568914697.db2.gz AWYONKTVKRDDCJ-QGZVFWFLSA-N 0 0 403.548 3.824 50 70 HHIARN O=C(c1cc2ccccc2s1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217847182 568915800 /nfs/dbraw/zinc/91/58/00/568915800.db2.gz DIRGZGSIJGPJJJ-AWEZNQCLSA-N 0 0 405.483 3.836 50 70 HHIARN COc1ccc([C@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)cc1 ZINC000218115455 568925970 /nfs/dbraw/zinc/92/59/70/568925970.db2.gz BPBZEUUOJWMZNO-HXUWFJFHSA-N 0 0 405.450 3.555 50 70 biogenic HHIARN CC1(C)OC(=O)C[C@H]1C(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000218602246 568939564 /nfs/dbraw/zinc/93/95/64/568939564.db2.gz APLYEPWYKRLRID-FQEVSTJZSA-N 0 0 406.482 3.747 50 70 HHIARN Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc4c(c3)nc(C(C)C)n4C)CC2)n1 ZINC000218272350 568477221 /nfs/dbraw/zinc/47/72/21/568477221.db2.gz UPHFPUSZKIVQBW-UHFFFAOYSA-N 0 0 406.534 3.959 50 70 HHIARN CC(C)[C@H](NC(=O)Cn1cnc2sccc2c1=O)c1nc2ccccc2n1C(C)C ZINC000218567176 568481910 /nfs/dbraw/zinc/48/19/10/568481910.db2.gz OPEIEXUFWJVGTJ-IBGZPJMESA-N 0 0 423.542 3.902 50 70 HHIARN COc1cccc(N2C[C@H](C(=O)N3CCCC[C@@H](c4ccc(F)cc4)C3)CC2=O)c1 ZINC000217492691 568885455 /nfs/dbraw/zinc/88/54/55/568885455.db2.gz YPXPFPLFVHJXFJ-RTBURBONSA-N 0 0 410.489 3.984 50 70 HHIARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)Nc1ccncc1)COC2=O ZINC000217713138 568907572 /nfs/dbraw/zinc/90/75/72/568907572.db2.gz VJLUCGNRZQEEEP-LHHJGKSTSA-N 0 0 410.470 3.985 50 70 biogenic HHIARN CSCC[C@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1nc2ccccc2n1C ZINC000218180373 568475983 /nfs/dbraw/zinc/47/59/83/568475983.db2.gz RMVGOYPCBVVSRN-INIZCTEOSA-N 0 0 406.515 3.583 50 70 HHIARN O=C(c1cnc2c(F)cccc2c1O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000218202693 568476251 /nfs/dbraw/zinc/47/62/51/568476251.db2.gz XSZNXNHWOVXYSC-UHFFFAOYSA-N 0 0 400.837 3.857 50 70 HHIARN COC(=O)C[C@@H](c1ccc(C)o1)c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000218373014 568479347 /nfs/dbraw/zinc/47/93/47/568479347.db2.gz HDZDYHZGSGAOFQ-KRWDZBQOSA-N 0 0 424.497 3.994 50 70 HHIARN CSc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)c1cc2ccccc2s1 ZINC000217519436 568888026 /nfs/dbraw/zinc/88/80/26/568888026.db2.gz KCRRWVRYUPQRFJ-HXUWFJFHSA-N 0 0 400.525 3.586 50 70 HHIARN COc1ccc2c(c1)cc([C@H]1CC(=O)Oc3cc4c(cc31)OCO4)c(=O)n2CC(C)C ZINC000217757081 568910432 /nfs/dbraw/zinc/91/04/32/568910432.db2.gz JCNNEALDDGDRPK-INIZCTEOSA-N 0 0 421.449 3.836 50 70 biogenic HHIARN CC[C@@H](C)[C@@H](CO)NC(=O)CCc1cc2c(cc1OC)oc(=O)cc2-c1ccccc1 ZINC000217798395 568912783 /nfs/dbraw/zinc/91/27/83/568912783.db2.gz JJRQGLSACBUHNQ-IIBYNOLFSA-N 0 0 423.509 3.924 50 70 biogenic HHIARN O=C(c1noc2c1CCCC2)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217800806 568913016 /nfs/dbraw/zinc/91/30/16/568913016.db2.gz KAOKJENTXDQBBO-AWEZNQCLSA-N 0 0 410.449 3.837 50 70 HHIARN COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)C(C)C)o1 ZINC000217810933 568913761 /nfs/dbraw/zinc/91/37/61/568913761.db2.gz DGKIBIJYNXKZMP-GOSISDBHSA-N 0 0 424.497 3.688 50 70 biogenic HHIARN COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)C(C)C)o1 ZINC000217811009 568913778 /nfs/dbraw/zinc/91/37/78/568913778.db2.gz DGKIBIJYNXKZMP-SFHVURJKSA-N 0 0 424.497 3.688 50 70 biogenic HHIARN O=S(=O)(c1cccc2ccccc21)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217667657 568903622 /nfs/dbraw/zinc/90/36/22/568903622.db2.gz OFGMBGUQODYPTC-IBGZPJMESA-N 0 0 404.495 3.734 50 70 HHIARN CCOc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)ccc1O ZINC000217716163 568907659 /nfs/dbraw/zinc/90/76/59/568907659.db2.gz CDSHXAIZNCMEOB-ZDUSSCGKSA-N 0 0 424.405 3.555 50 70 biogenic HHIARN O=C(Cc1ccc(-c2ccccc2)cc1)N1[C@@H]2CC[C@H]1CC(N1C(=O)CCC1=O)C2 ZINC000217763876 568911140 /nfs/dbraw/zinc/91/11/40/568911140.db2.gz FPCLNTIBXIKQJM-CBQGHPETSA-N 0 0 402.494 3.567 50 70 HHIARN COc1ccc(F)cc1S(=O)(=O)NCCn1nc(-c2ccsc2)cc1C1CC1 ZINC000217882453 568917963 /nfs/dbraw/zinc/91/79/63/568917963.db2.gz IMJFHSLNJYACNN-UHFFFAOYSA-N 0 0 421.519 3.615 50 70 HHIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2[nH]c(C)cc(=O)c2c1 ZINC000218043459 569247756 /nfs/dbraw/zinc/24/77/56/569247756.db2.gz FOABRRUONJRHCD-SFHVURJKSA-N 0 0 408.410 3.506 50 70 biogenic HHIARN O=C(c1cnn(-c2ccccc2Br)c1-n1cccc1)N1CCSCC1 ZINC000218224001 568476630 /nfs/dbraw/zinc/47/66/30/568476630.db2.gz DAHVOBBJQGFJPS-UHFFFAOYSA-N 0 0 417.332 3.615 50 70 HHIARN CSCC[C@H](NC(=O)CC1(n2cccc2)CCOCC1)c1nc2ccccc2[nH]1 ZINC000218233864 568476711 /nfs/dbraw/zinc/47/67/11/568476711.db2.gz FTOOJRDDZDPRAO-IBGZPJMESA-N 0 0 412.559 3.871 50 70 HHIARN COCCn1c(CNC(=O)c2cn(C(C)C)c(=O)c3ccccc23)nc2ccccc21 ZINC000218421197 568480160 /nfs/dbraw/zinc/48/01/60/568480160.db2.gz MDEYDMFMCIBPGH-UHFFFAOYSA-N 0 0 418.497 3.509 50 70 HHIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1ccc(F)c(F)c1)CC(=O)O2 ZINC000218512968 568481256 /nfs/dbraw/zinc/48/12/56/568481256.db2.gz WBRNDYPCIIXTLY-QGZVFWFLSA-N 0 0 411.404 3.824 50 70 HHIARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc(-n2cccc2)cc1 ZINC000218248280 568836955 /nfs/dbraw/zinc/83/69/55/568836955.db2.gz BYFKNKUPHOMFTP-HXUWFJFHSA-N 0 0 400.438 3.766 50 70 HHIARN CC(C)C[C@H](NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O)c1nnc2ccccn21 ZINC000218281336 568837254 /nfs/dbraw/zinc/83/72/54/568837254.db2.gz IQWNAPCLHOSCPF-FPOVZHCZSA-N 0 0 419.529 3.613 50 70 HHIARN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@](C)(O)c1cc2ccccc2s1 ZINC000217519633 568887944 /nfs/dbraw/zinc/88/79/44/568887944.db2.gz ZTWCTYNTZHLMBO-FQEVSTJZSA-N 0 0 402.903 3.826 50 70 HHIARN Cn1cc([C@H](O)CNC(=O)CCc2ccccc2Br)c2ccccc21 ZINC000217575764 568894254 /nfs/dbraw/zinc/89/42/54/568894254.db2.gz YBSXDJQXLJJOIF-LJQANCHMSA-N 0 0 401.304 3.723 50 70 HHIARN COc1ccc2c(c1)cc([C@@H]1CC(=O)Oc3cc4c(cc31)OCO4)c(=O)n2CC(C)C ZINC000217756995 568910398 /nfs/dbraw/zinc/91/03/98/568910398.db2.gz JCNNEALDDGDRPK-MRXNPFEDSA-N 0 0 421.449 3.836 50 70 biogenic HHIARN