smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1CCN1C[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1=O ZINC000218408085 568479907 /nfs/dbraw/zinc/47/99/07/568479907.db2.gz FDXSQAQEILRGCY-CQSZACIVSA-N 0 0 407.392 3.139 50 70 HGIARN COc1ccc(OC)c(-c2cc(C(=O)NCC[C@@H](O)c3ccsc3)n(C)n2)c1 ZINC000217534334 568889807 /nfs/dbraw/zinc/88/98/07/568889807.db2.gz VTEXEEUBEUYGRD-GOSISDBHSA-N 0 0 401.488 3.019 50 70 HGIARN COc1ccc(S(=O)(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)cc1Cl ZINC000217668442 568903813 /nfs/dbraw/zinc/90/38/13/568903813.db2.gz GWMMRHZLMYTRLV-OAHLLOKOSA-N 0 0 418.906 3.243 50 70 HGIARN Cc1noc(-c2c3c(sc2NC(=O)c2cnn(-c4ccccc4)n2)COCC3)n1 ZINC000217962787 568921301 /nfs/dbraw/zinc/92/13/01/568921301.db2.gz VOOHLGQZPVZKIP-UHFFFAOYSA-N 0 0 408.443 3.012 50 70 HGIARN COc1ccc([C@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)cc1O ZINC000218058244 568924920 /nfs/dbraw/zinc/92/49/20/568924920.db2.gz VFSQYMKEXKANSS-GOSISDBHSA-N 0 0 421.449 3.260 50 70 biogenic HGIARN COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000218120848 568926133 /nfs/dbraw/zinc/92/61/33/568926133.db2.gz CQYDTCINLMRQQT-HNNXBMFYSA-N 0 0 407.413 3.305 50 70 HGIARN COc1ccc2c(ccn2CCNC(=O)Cn2ccc3c2cccc3NC(C)=O)c1 ZINC000217756895 568473836 /nfs/dbraw/zinc/47/38/36/568473836.db2.gz AIXWELYXTDAWEM-UHFFFAOYSA-N 0 0 404.470 3.379 50 70 biogenic HGIARN COC(=O)c1ccc(C(=O)Nc2ccccc2Cc2nc(-c3cnccn3)no2)cc1 ZINC000217487517 568884474 /nfs/dbraw/zinc/88/44/74/568884474.db2.gz CMOHXPSHFRDFMV-UHFFFAOYSA-N 0 0 415.409 3.156 50 70 HGIARN COC(=O)c1nc(NC(=O)CC2(n3cccc3)CCOCC2)sc1CC(C)C ZINC000218222123 568476522 /nfs/dbraw/zinc/47/65/22/568476522.db2.gz UNHWKIQCCMVQRH-UHFFFAOYSA-N 0 0 405.520 3.464 50 70 HGIARN CC[C@H](C)[C@H](NC(=O)CCCn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000218424969 568480083 /nfs/dbraw/zinc/48/00/83/568480083.db2.gz AADOBAHOUMJBJZ-BTYIYWSLSA-N 0 0 418.501 3.352 50 70 HGIARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc(Cn2ccnc2)cc1 ZINC000218249362 568836997 /nfs/dbraw/zinc/83/69/97/568836997.db2.gz QYYCKXJJYPBHTM-HXUWFJFHSA-N 0 0 415.453 3.220 50 70 HGIARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@@](C)(O)c1cc2ccccc2s1 ZINC000217515759 568887671 /nfs/dbraw/zinc/88/76/71/568887671.db2.gz QXGNIRIKEQGDNI-LJQANCHMSA-N 0 0 407.561 3.482 50 70 HGIARN CSCC[C@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2n1C ZINC000218196935 568927904 /nfs/dbraw/zinc/92/79/04/568927904.db2.gz NRGCJIKFNRXEMU-WMZOPIPTSA-N 0 0 424.574 3.190 50 70 HGIARN CC(C)[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1nc2ccccc2n1C ZINC000218428164 568480255 /nfs/dbraw/zinc/48/02/55/568480255.db2.gz QJLMQQAGJHCBII-NRFANRHFSA-N 0 0 403.486 3.187 50 70 HGIARN COC(=O)c1nc(NC(=O)[C@@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)sc1C ZINC000218448805 568480524 /nfs/dbraw/zinc/48/05/24/568480524.db2.gz XFNCUVDWKXRAHR-XJKSGUPXSA-N 0 0 417.512 3.225 50 70 HGIARN COc1ccc([C@H](c2sc3ncnn3c2[O-])[NH+]2CCCCCC2)c(OC)c1OC ZINC000218491880 568480984 /nfs/dbraw/zinc/48/09/84/568480984.db2.gz KQIAOMNZZAFXIM-OAHLLOKOSA-N 0 0 418.519 3.488 50 70 HGIARN COc1ccc([C@@H](c2sc3ncnn3c2[O-])[NH+]2CCCCCC2)c(OC)c1OC ZINC000218491804 568481014 /nfs/dbraw/zinc/48/10/14/568481014.db2.gz KQIAOMNZZAFXIM-HNNXBMFYSA-N 0 0 418.519 3.488 50 70 HGIARN CSCC[C@H](NC(=O)c1sc2[nH]cnc(=O)c2c1C)c1nc2ccccc2[nH]1 ZINC000218509257 568481264 /nfs/dbraw/zinc/48/12/64/568481264.db2.gz ULOYRHDBVKZUIW-ZDUSSCGKSA-N 0 0 413.528 3.394 50 70 HGIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000217603200 568897885 /nfs/dbraw/zinc/89/78/85/568897885.db2.gz JWJCVIYSPYPDPU-KRWDZBQOSA-N 0 0 409.394 3.359 50 70 biogenic HGIARN COc1cc(OC)c(OC)c([C@@H](c2sc3ncnn3c2[O-])[NH+]2CCCCCC2)c1 ZINC000218449356 568933187 /nfs/dbraw/zinc/93/31/87/568933187.db2.gz HWJFGJUFJCSFDC-INIZCTEOSA-N 0 0 418.519 3.488 50 70 HGIARN COc1ccc(N2C[C@@H](C(=O)N[C@H](c3nc4ccccc4n3C)C(C)C)CC2=O)cc1 ZINC000218225432 568476645 /nfs/dbraw/zinc/47/66/45/568476645.db2.gz ONHLJZQFBRTEOK-AOMKIAJQSA-N 0 0 420.513 3.448 50 70 HGIARN Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCc2nc3ccccc3n2C)n1 ZINC000218406514 568479884 /nfs/dbraw/zinc/47/98/84/568479884.db2.gz RQWAHWCBONKNIE-FQEVSTJZSA-N 0 0 414.513 3.320 50 70 HGIARN CC1(C)CCc2cc(Cc3[nH][nH]c(=O)c3[C@H](CC(N)=O)c3ccccc3)ccc2O1 ZINC000218438129 568480339 /nfs/dbraw/zinc/48/03/39/568480339.db2.gz XRFXEOKYNDWDLA-GOSISDBHSA-N 0 0 405.498 3.405 50 70 HGIARN CC1(C)CCc2cc(Cc3[nH][nH]c(=O)c3[C@@H](CC(N)=O)c3ccccc3)ccc2O1 ZINC000218438220 568480353 /nfs/dbraw/zinc/48/03/53/568480353.db2.gz XRFXEOKYNDWDLA-SFHVURJKSA-N 0 0 405.498 3.405 50 70 HGIARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)NC[C@](C)(O)c1cc2ccccc2s1 ZINC000217515668 568887782 /nfs/dbraw/zinc/88/77/82/568887782.db2.gz QXGNIRIKEQGDNI-IBGZPJMESA-N 0 0 407.561 3.482 50 70 HGIARN CCOc1ccc(S(=O)(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)cc1F ZINC000217668043 568903607 /nfs/dbraw/zinc/90/36/07/568903607.db2.gz FHDAYOSOSZBXIM-MRXNPFEDSA-N 0 0 416.478 3.119 50 70 HGIARN COC(=O)C[C@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O)c1cccnc1 ZINC000217678111 568905181 /nfs/dbraw/zinc/90/51/81/568905181.db2.gz JSXGTIWBJBMYPL-SFHVURJKSA-N 0 0 421.497 3.487 50 70 biogenic HGIARN COc1ccc2cc([C@@H]3CC(=O)Oc4c5ccccc5oc(=O)c43)c(=O)n(C)c2c1 ZINC000217775462 568911305 /nfs/dbraw/zinc/91/13/05/568911305.db2.gz NZFLDDBBJFGCGX-HNNXBMFYSA-N 0 0 403.390 3.095 50 70 biogenic HGIARN O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@H]1CCCN1c1nccs1 ZINC000217805095 568913671 /nfs/dbraw/zinc/91/36/71/568913671.db2.gz MFXDBLYMSVQTGT-CQSZACIVSA-N 0 0 405.467 3.250 50 70 HGIARN C[C@](O)(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 ZINC000218003649 568922578 /nfs/dbraw/zinc/92/25/78/568922578.db2.gz ZAEGSSCNPIFOTQ-IBGZPJMESA-N 0 0 406.360 3.414 50 70 HGIARN CSCC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1nc2ccccc2n1C ZINC000218219741 568476473 /nfs/dbraw/zinc/47/64/73/568476473.db2.gz XNONRFKYFZCSKV-HNNXBMFYSA-N 0 0 410.499 3.128 50 70 HGIARN Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCCn2cnc3ccccc32)n1 ZINC000218266885 568477088 /nfs/dbraw/zinc/47/70/88/568477088.db2.gz QWOTXWXIIAWABV-OAQYLSRUSA-N 0 0 414.513 3.283 50 70 HGIARN Cc1nc(-c2ccccc2NC(=O)[C@@H]2CCCN(c3ccc(=O)n(C)n3)C2)cs1 ZINC000217650734 568901532 /nfs/dbraw/zinc/90/15/32/568901532.db2.gz FDQQZKWZBSATCM-OAHLLOKOSA-N 0 0 409.515 3.067 50 70 HGIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1ccccc1 ZINC000217710140 568907265 /nfs/dbraw/zinc/90/72/65/568907265.db2.gz GJUOHBGPBIQJDF-HSZRJFAPSA-N 0 0 411.461 3.160 50 70 biogenic HGIARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217822546 568914500 /nfs/dbraw/zinc/91/45/00/568914500.db2.gz ALDWNOLZYDRIGR-OAHLLOKOSA-N 0 0 401.532 3.469 50 70 HGIARN COc1cccc(N2C[C@H](C(=O)NCCn3nc(-c4cccs4)cc3C)CC2=O)c1 ZINC000217874025 568917303 /nfs/dbraw/zinc/91/73/03/568917303.db2.gz RLTHBRJRNYGPCY-MRXNPFEDSA-N 0 0 424.526 3.098 50 70 HGIARN COc1ccc2c(c1)cc([C@H]1CC(=O)Oc3cc(C)oc(=O)c31)c(=O)n2CC(C)C ZINC000218009507 568922651 /nfs/dbraw/zinc/92/26/51/568922651.db2.gz QYOCXGBDERKFSN-MRXNPFEDSA-N 0 0 409.438 3.369 50 70 biogenic HGIARN C[C@](O)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000218003840 568922664 /nfs/dbraw/zinc/92/26/64/568922664.db2.gz JDNPIPABFAUOHB-IBGZPJMESA-N 0 0 422.359 3.294 50 70 HGIARN COc1cccc2c1ccn2CCNC(=O)Cn1ccc2c1cccc2NC(C)=O ZINC000218388985 568479647 /nfs/dbraw/zinc/47/96/47/568479647.db2.gz QUHGKVSJHBLERI-UHFFFAOYSA-N 0 0 404.470 3.379 50 70 HGIARN COCCn1cc(CC(=O)Nc2n[nH]c(Cc3ccc(OC)cc3)n2)c2ccccc21 ZINC000218492376 568481008 /nfs/dbraw/zinc/48/10/08/568481008.db2.gz XAXLBFXFAXUEMF-UHFFFAOYSA-N 0 0 419.485 3.186 50 70 HGIARN CC(C)[C@H](NC(=O)CCNC(=O)c1cnccn1)c1nc2ccccc2n1C(C)C ZINC000218550343 568481667 /nfs/dbraw/zinc/48/16/67/568481667.db2.gz NIOHEHSKCOACLO-FQEVSTJZSA-N 0 0 408.506 3.041 50 70 HGIARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000218568661 568481851 /nfs/dbraw/zinc/48/18/51/568481851.db2.gz IGUWNOHSFQPVME-HNNXBMFYSA-N 0 0 410.499 3.415 50 70 HGIARN O=C(NC(c1ccccc1)c1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217615265 568899091 /nfs/dbraw/zinc/89/90/91/568899091.db2.gz LFWLZMYFRBWQJI-UHFFFAOYSA-N 0 0 415.497 3.128 50 70 HGIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1ccco1 ZINC000217680070 568905353 /nfs/dbraw/zinc/90/53/53/568905353.db2.gz HRSXGADIDRGTJG-QFIPXVFZSA-N 0 0 415.449 3.143 50 70 biogenic HGIARN O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@@H]1CCCN1c1nccs1 ZINC000217805035 568913572 /nfs/dbraw/zinc/91/35/72/568913572.db2.gz MFXDBLYMSVQTGT-AWEZNQCLSA-N 0 0 405.467 3.250 50 70 HGIARN Cn1ccc2c1cccc2NC(=O)CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O ZINC000217815502 568914067 /nfs/dbraw/zinc/91/40/67/568914067.db2.gz FIIPHIQGSSXIEF-IBGZPJMESA-N 0 0 404.470 3.060 50 70 biogenic HGIARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)N[C@@H](C)C(=O)OC)C12CCCCC2 ZINC000217833221 568915291 /nfs/dbraw/zinc/91/52/91/568915291.db2.gz ZBAAAWJZXOWRAL-LPHOPBHVSA-N 0 0 400.519 3.407 50 70 biogenic HGIARN COc1ccc2cc([C@@H]3CC(=O)Oc4cc(OC)c(OC)c(OC)c43)c(=O)[nH]c2c1 ZINC000218056048 568924992 /nfs/dbraw/zinc/92/49/92/568924992.db2.gz YHBSLPCGJBAYOX-ZDUSSCGKSA-N 0 0 411.410 3.004 50 70 biogenic HGIARN CSCC[C@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2n1C ZINC000218196853 568927959 /nfs/dbraw/zinc/92/79/59/568927959.db2.gz NRGCJIKFNRXEMU-AEFFLSMTSA-N 0 0 424.574 3.190 50 70 HGIARN COC(=O)c1sc(NC(=O)[C@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)nc1C ZINC000218475742 568933839 /nfs/dbraw/zinc/93/38/39/568933839.db2.gz VJVDJWSFFBKDGI-CZUORRHYSA-N 0 0 417.512 3.225 50 70 HGIARN Cc1csc(-c2cccc(CNC(=O)[C@H](Cc3ccccc3)n3cnnn3)c2)n1 ZINC000218182476 568476000 /nfs/dbraw/zinc/47/60/00/568476000.db2.gz GHDXJLUZBMAHFW-IBGZPJMESA-N 0 0 404.499 3.205 50 70 HGIARN COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)Nc2ccc3ccn(C)c3c2)C1=O ZINC000218223264 568476492 /nfs/dbraw/zinc/47/64/92/568476492.db2.gz RBSWFCQGWWDOIT-SFHVURJKSA-N 0 0 420.469 3.026 50 70 HGIARN CC(C)n1c(CCNC(=O)Cn2cc(-c3ccccc3)ncc2=O)nc2ccccc21 ZINC000218571145 568481863 /nfs/dbraw/zinc/48/18/63/568481863.db2.gz URSXYIYREXOBGH-UHFFFAOYSA-N 0 0 415.497 3.200 50 70 HGIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000217603127 568897870 /nfs/dbraw/zinc/89/78/70/568897870.db2.gz JWJCVIYSPYPDPU-QGZVFWFLSA-N 0 0 409.394 3.359 50 70 biogenic HGIARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000217674544 568904843 /nfs/dbraw/zinc/90/48/43/568904843.db2.gz FDJFLKFTXUWMLW-UHFFFAOYSA-N 0 0 409.298 3.498 50 70 HGIARN O=C(c1nc2ccccc2s1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217843025 568915777 /nfs/dbraw/zinc/91/57/77/568915777.db2.gz TXRDYKNDSQZLCY-ZDUSSCGKSA-N 0 0 406.471 3.231 50 70 HGIARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N1CCSCC1)C(=O)OC2 ZINC000217894879 568918594 /nfs/dbraw/zinc/91/85/94/568918594.db2.gz BGUNMKPDFXIUIQ-YIXHJXPBSA-N 0 0 405.516 3.224 50 70 biogenic HGIARN COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)Nc2ccc3[nH]ccc3c2)C1=O ZINC000218183251 568927695 /nfs/dbraw/zinc/92/76/95/568927695.db2.gz UWRLCKHEHFTKBG-SFHVURJKSA-N 0 0 406.442 3.016 50 70 HGIARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000218200860 568476217 /nfs/dbraw/zinc/47/62/17/568476217.db2.gz CHSUHURTZHKOCK-HNNXBMFYSA-N 0 0 410.430 3.029 50 70 HGIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(=O)n(C)c2ccccc12 ZINC000218237271 568476740 /nfs/dbraw/zinc/47/67/40/568476740.db2.gz JWQJYNZRSUMGAI-HNNXBMFYSA-N 0 0 404.470 3.026 50 70 HGIARN CC[C@H](C)[C@H](NC(=O)COc1cccc(-n2cnnc2)c1)c1nc2ccccc2[nH]1 ZINC000218327081 568478467 /nfs/dbraw/zinc/47/84/67/568478467.db2.gz KHTYAYOMKVKTSB-BTYIYWSLSA-N 0 0 404.474 3.426 50 70 HGIARN CCOC(=O)N1CCN(C(=O)c2csc(NCc3ccccc3Cl)n2)CC1 ZINC000218385966 568479656 /nfs/dbraw/zinc/47/96/56/568479656.db2.gz XUZXHIUVYJQRIC-UHFFFAOYSA-N 0 0 408.911 3.323 50 70 HGIARN CC(C)n1c(CCNC(=O)[C@@H](C)n2cnc3ccccc3c2=O)nc2ccccc21 ZINC000218477621 568480860 /nfs/dbraw/zinc/48/08/60/568480860.db2.gz BGPGKNGEKOSNPM-MRXNPFEDSA-N 0 0 403.486 3.247 50 70 HGIARN C[C@@](O)(CNS(=O)(=O)c1cccc2nsnc21)c1cc2ccccc2s1 ZINC000217515862 568887779 /nfs/dbraw/zinc/88/77/79/568887779.db2.gz DVOGOPHUELCSQZ-QGZVFWFLSA-N 0 0 405.526 3.092 50 70 HGIARN COc1ccc(CCS(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3s2)cc1 ZINC000217513732 568887800 /nfs/dbraw/zinc/88/78/00/568887800.db2.gz ZLGJPAIQFMXVRU-HXUWFJFHSA-N 0 0 405.541 3.280 50 70 HGIARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217667769 568903665 /nfs/dbraw/zinc/90/36/65/568903665.db2.gz XDKGWJCWCATXBZ-HXUWFJFHSA-N 0 0 408.527 3.460 50 70 HGIARN COC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O ZINC000217800175 568913009 /nfs/dbraw/zinc/91/30/09/568913009.db2.gz FQMWLWXVOYDTIY-FQEVSTJZSA-N 0 0 423.465 3.211 50 70 biogenic HGIARN CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)N[C@@H](C)C(=O)OC)C12CCCCC2 ZINC000217854173 568916479 /nfs/dbraw/zinc/91/64/79/568916479.db2.gz UPHVXNJYKQZXPR-JTDSTZFVSA-N 0 0 400.519 3.405 50 70 biogenic HGIARN COc1ccc([C@@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)c(OC)c1OC ZINC000218000422 568922429 /nfs/dbraw/zinc/92/24/29/568922429.db2.gz CAWJVAIIPLSLQN-LBPRGKRZSA-N 0 0 404.415 3.179 50 70 biogenic HGIARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc(N2CCCCC2)c1 ZINC000217881417 568474203 /nfs/dbraw/zinc/47/42/03/568474203.db2.gz QQNYVTQJAYECNN-FQEVSTJZSA-N 0 0 406.486 3.146 50 70 biogenic HGIARN COc1ccc2ncc(C(=O)N[C@@H](CCSC)c3nnc4ccccn43)c(O)c2c1 ZINC000218125415 568475263 /nfs/dbraw/zinc/47/52/63/568475263.db2.gz JSKMNKLRZAZDFW-KRWDZBQOSA-N 0 0 423.498 3.216 50 70 HGIARN CC(C)n1c(CCCNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)nc2ccccc21 ZINC000218290443 568477779 /nfs/dbraw/zinc/47/77/79/568477779.db2.gz RJLHLMZYDXZGNN-KRWDZBQOSA-N 0 0 408.502 3.308 50 70 HGIARN COc1ccc2c(c1)ncc(C(=O)N[C@@H](CCSC)c1nnc3ccccn31)c2O ZINC000218326982 568478485 /nfs/dbraw/zinc/47/84/85/568478485.db2.gz VQOSELJRTGQWKJ-INIZCTEOSA-N 0 0 423.498 3.216 50 70 HGIARN O=C(c1ccc(Cl)cc1-n1cnnn1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000218431284 568480244 /nfs/dbraw/zinc/48/02/44/568480244.db2.gz IRERDTPBIKFXJI-UHFFFAOYSA-N 0 0 407.865 3.212 50 70 HGIARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCc1nc(C(C)C)cs1 ZINC000218518974 568481370 /nfs/dbraw/zinc/48/13/70/568481370.db2.gz DCCXXPQSINQZKH-INIZCTEOSA-N 0 0 403.548 3.197 50 70 HGIARN COc1cn(CC(=O)Nc2n[nH]c([C@@H](C)c3ccc(CC(C)C)cc3)n2)c(C)cc1=O ZINC000218535252 568481527 /nfs/dbraw/zinc/48/15/27/568481527.db2.gz ZUVLNBWCTHKUHZ-INIZCTEOSA-N 0 0 423.517 3.272 50 70 HGIARN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CCCCCNC(=O)c1cnccn1 ZINC000218546959 568481669 /nfs/dbraw/zinc/48/16/69/568481669.db2.gz NZXPPFBROKTMDP-FQEVSTJZSA-N 0 0 420.517 3.017 50 70 HGIARN O=S(=O)(Cc1cccc(Cl)c1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217667402 568903639 /nfs/dbraw/zinc/90/36/39/568903639.db2.gz RPJWILBOTATYPK-GOSISDBHSA-N 0 0 402.907 3.375 50 70 HGIARN COc1ccc(Br)c(C(=O)NCCn2ccnc2-c2ccccn2)c1 ZINC000217857357 568916509 /nfs/dbraw/zinc/91/65/09/568916509.db2.gz VBOXGOQVGYDGFY-UHFFFAOYSA-N 0 0 401.264 3.146 50 70 HGIARN C[C@@](O)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000218003756 568922626 /nfs/dbraw/zinc/92/26/26/568922626.db2.gz JDNPIPABFAUOHB-LJQANCHMSA-N 0 0 422.359 3.294 50 70 HGIARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000218333513 568929435 /nfs/dbraw/zinc/92/94/35/568929435.db2.gz GYNSSBCIFNFWDG-INIZCTEOSA-N 0 0 424.457 3.419 50 70 HGIARN CCc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(C)cc4)N4CCC[C@H]34)C2O)cc1 ZINC000217591677 568473028 /nfs/dbraw/zinc/47/30/28/568473028.db2.gz ONUBWOOSJJPPIG-MLNNCEHLSA-N 0 0 402.494 3.393 50 70 HGIARN CC(C)[C@H](NC(=O)COc1cccc(-n2cnnc2)c1)c1nc2ccccc2n1C ZINC000218178029 568476017 /nfs/dbraw/zinc/47/60/17/568476017.db2.gz ZTUCWILTLLINBZ-NRFANRHFSA-N 0 0 404.474 3.046 50 70 HGIARN O=C(CC1(n2cccc2)CCOCC1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000218386363 568479583 /nfs/dbraw/zinc/47/95/83/568479583.db2.gz NBHSJRJHNCCHIK-UHFFFAOYSA-N 0 0 401.938 3.382 50 70 HGIARN Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)[nH]n1 ZINC000218421708 568480095 /nfs/dbraw/zinc/48/00/95/568480095.db2.gz HHYONIDEFQGDIT-FQEVSTJZSA-N 0 0 405.506 3.441 50 70 HGIARN C[C@](O)(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cc2ccccc2s1 ZINC000217514811 568887811 /nfs/dbraw/zinc/88/78/11/568887811.db2.gz JJKPRLOUUIIZSW-FQEVSTJZSA-N 0 0 419.524 3.249 50 70 HGIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1nccs1 ZINC000217934150 568920362 /nfs/dbraw/zinc/92/03/62/568920362.db2.gz ZJENNKFAJIBPFO-GOSISDBHSA-N 0 0 404.451 3.287 50 70 biogenic HGIARN COc1cc2c(c(OC)c1OC)[C@@H](c1cc3cccc4c3n(c1=O)CC4)CC(=O)O2 ZINC000217950035 568920685 /nfs/dbraw/zinc/92/06/85/568920685.db2.gz NCMZOTWCBVBGLG-CQSZACIVSA-N 0 0 407.422 3.024 50 70 biogenic HGIARN C[C@@](O)(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 ZINC000218003575 568922658 /nfs/dbraw/zinc/92/26/58/568922658.db2.gz ZAEGSSCNPIFOTQ-LJQANCHMSA-N 0 0 406.360 3.414 50 70 HGIARN COc1cc(OC)c(OC)c([C@H](c2sc3ncnn3c2[O-])[NH+]2CCCCCC2)c1 ZINC000218449431 568933157 /nfs/dbraw/zinc/93/31/57/568933157.db2.gz HWJFGJUFJCSFDC-MRXNPFEDSA-N 0 0 418.519 3.488 50 70 HGIARN CC(C)C[C@H](NC(=O)CCCn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000218141302 568475724 /nfs/dbraw/zinc/47/57/24/568475724.db2.gz ZVEZUOOGUTWSBH-FQEVSTJZSA-N 0 0 418.501 3.352 50 70 HGIARN CC(C)(C)c1csc(NC(=O)CC[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)n1 ZINC000218330117 568478518 /nfs/dbraw/zinc/47/85/18/568478518.db2.gz YRYUQHYMYFQRJL-AWEZNQCLSA-N 0 0 418.494 3.419 50 70 HGIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1 ZINC000218416172 568479972 /nfs/dbraw/zinc/47/99/72/568479972.db2.gz YVGGMINVUADYKQ-KRWDZBQOSA-N 0 0 408.410 3.094 50 70 HGIARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cccc(-n2cccn2)c1 ZINC000218281976 568837401 /nfs/dbraw/zinc/83/74/01/568837401.db2.gz XXPQEXTYJIDBGG-LJQANCHMSA-N 0 0 401.426 3.161 50 70 HGIARN Cc1nc(-c2ccccc2NC(=O)[C@H]2CCCN(c3ccc(=O)n(C)n3)C2)cs1 ZINC000217650822 568901727 /nfs/dbraw/zinc/90/17/27/568901727.db2.gz FDQQZKWZBSATCM-HNNXBMFYSA-N 0 0 409.515 3.067 50 70 HGIARN COC(=O)[C@H](CCSC)NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000217701455 568906795 /nfs/dbraw/zinc/90/67/95/568906795.db2.gz HMDRSXLEKGWHHC-SFHVURJKSA-N 0 0 411.479 3.485 50 70 biogenic HGIARN COc1ccc2cc([C@H]3CC(=O)Oc4c5ccccc5oc(=O)c43)c(=O)n(C)c2c1 ZINC000217775552 568911433 /nfs/dbraw/zinc/91/14/33/568911433.db2.gz NZFLDDBBJFGCGX-OAHLLOKOSA-N 0 0 403.390 3.095 50 70 biogenic HGIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000217966983 568921397 /nfs/dbraw/zinc/92/13/97/568921397.db2.gz GUVXAWJXJRHDNX-GOSISDBHSA-N 0 0 419.433 3.275 50 70 biogenic HGIARN CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000217976446 568921863 /nfs/dbraw/zinc/92/18/63/568921863.db2.gz UEKLQXWIZUKFCP-NRFANRHFSA-N 0 0 418.497 3.465 50 70 biogenic HGIARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nc(-c2ccccn2)cs1 ZINC000218394059 568479688 /nfs/dbraw/zinc/47/96/88/568479688.db2.gz HHDSQSNIQATMKB-INIZCTEOSA-N 0 0 421.482 3.044 50 70 HGIARN COC(=O)c1nc(NC(=O)[C@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)sc1C ZINC000218448725 568480578 /nfs/dbraw/zinc/48/05/78/568480578.db2.gz XFNCUVDWKXRAHR-CJNGLKHVSA-N 0 0 417.512 3.225 50 70 HGIARN Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCc1nc(C(C)C)cs1 ZINC000218519061 568481310 /nfs/dbraw/zinc/48/13/10/568481310.db2.gz DCCXXPQSINQZKH-MRXNPFEDSA-N 0 0 403.548 3.197 50 70 HGIARN COc1ccc([C@H](c2sc3ncnn3c2[O-])[NH+]2CCCCC2)c(OC)c1OC ZINC000218607024 568482387 /nfs/dbraw/zinc/48/23/87/568482387.db2.gz MOORAAHWKSACEE-CQSZACIVSA-N 0 0 404.492 3.098 50 70 HGIARN CC(C)C[C@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2n1C ZINC000218278894 568837321 /nfs/dbraw/zinc/83/73/21/568837321.db2.gz HYXQMKIDNOYQKT-KRWDZBQOSA-N 0 0 407.453 3.205 50 70 HGIARN O=C(c1cc(=O)c2ccccc2o1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000217549774 568890638 /nfs/dbraw/zinc/89/06/38/568890638.db2.gz DJJSFWZFBSPIGU-OAHLLOKOSA-N 0 0 417.870 3.135 50 70 HGIARN O=S(=O)(Cc1cccc(Cl)c1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217667482 568903634 /nfs/dbraw/zinc/90/36/34/568903634.db2.gz RPJWILBOTATYPK-SFHVURJKSA-N 0 0 402.907 3.375 50 70 HGIARN O=C1CSC(=O)N1C1CN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C1 ZINC000217750435 568909492 /nfs/dbraw/zinc/90/94/92/568909492.db2.gz HRNREQPCAKADAZ-UHFFFAOYSA-N 0 0 422.915 3.075 50 70 HGIARN CC(C)c1nc2cc(NC(=O)[C@H]3CC(=O)N(CCc4ccc(O)cc4)C3)ccc2[nH]1 ZINC000217779819 568911601 /nfs/dbraw/zinc/91/16/01/568911601.db2.gz ANCLRUHJVJWCSU-INIZCTEOSA-N 0 0 406.486 3.422 50 70 biogenic HGIARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccc4[nH]ccc4c3)C2=O)cc1 ZINC000217827714 568914678 /nfs/dbraw/zinc/91/46/78/568914678.db2.gz NZCXDQKHSKOYOU-FQEVSTJZSA-N 0 0 420.469 3.058 50 70 biogenic HGIARN CSCC[C@H](NC(=O)Cc1csc(-n2cccc2)n1)c1nnc2ccccn21 ZINC000218164583 568475876 /nfs/dbraw/zinc/47/58/76/568475876.db2.gz FKLKCRQDZARPQN-HNNXBMFYSA-N 0 0 412.544 3.130 50 70 HGIARN O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC1CCCCCCC1 ZINC000218377084 568479410 /nfs/dbraw/zinc/47/94/10/568479410.db2.gz AGHQDJSQEJLMMT-FQEVSTJZSA-N 0 0 410.518 3.250 50 70 HGIARN Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCc2nc3ccccc3n2C)n1 ZINC000218406441 568479852 /nfs/dbraw/zinc/47/98/52/568479852.db2.gz RQWAHWCBONKNIE-HXUWFJFHSA-N 0 0 414.513 3.320 50 70 HGIARN COc1ccc2cc(NC(=O)c3c(C)cc(C)n(C[C@H]4CCCO4)c3=O)cnc2c1 ZINC000218457953 568480690 /nfs/dbraw/zinc/48/06/90/568480690.db2.gz NUTWCXIGBPQWAB-LJQANCHMSA-N 0 0 407.470 3.453 50 70 HGIARN CC[C@H](C)[C@H](NC(=O)C[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 ZINC000218475404 568480911 /nfs/dbraw/zinc/48/09/11/568480911.db2.gz NFFKYPFLXFHYBW-DCPHZVHLSA-N 0 0 419.485 3.281 50 70 HGIARN COc1ccc(Cc2nc(NC(=O)c3cccc(Nc4ncccn4)c3)n[nH]2)cc1 ZINC000218236264 568836781 /nfs/dbraw/zinc/83/67/81/568836781.db2.gz WDCBVVISTFAJQY-UHFFFAOYSA-N 0 0 401.430 3.190 50 70 HGIARN C[C@@](O)(CNC(=O)CCS(=O)(=O)c1ccccc1)c1cc2ccccc2s1 ZINC000217505105 568886244 /nfs/dbraw/zinc/88/62/44/568886244.db2.gz GLLGVBASAYTMTL-HXUWFJFHSA-N 0 0 403.525 3.089 50 70 HGIARN COc1cc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)ccc1OCCc1ccccc1 ZINC000217597798 568896480 /nfs/dbraw/zinc/89/64/80/568896480.db2.gz DAKGTNAYSQMKGI-GOSISDBHSA-N 0 0 423.465 3.291 50 70 biogenic HGIARN O=S(=O)(c1cccc2cccnc21)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217669588 568903816 /nfs/dbraw/zinc/90/38/16/568903816.db2.gz GCUPBPPAVBHGOM-GOSISDBHSA-N 0 0 405.483 3.129 50 70 HGIARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1 ZINC000217834895 568915298 /nfs/dbraw/zinc/91/52/98/568915298.db2.gz KJYPRNCUTCECHM-MRXNPFEDSA-N 0 0 416.503 3.293 50 70 HGIARN O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217836763 568915436 /nfs/dbraw/zinc/91/54/36/568915436.db2.gz FTPGTVJHAKJLDK-KRWDZBQOSA-N 0 0 414.469 3.412 50 70 HGIARN COC(=O)C[C@H](c1cc2ccccc2n(CC(C)C)c1=O)c1c(O)cc(C)oc1=O ZINC000217990905 568922297 /nfs/dbraw/zinc/92/22/97/568922297.db2.gz SNZYZKROFUFQQI-MRXNPFEDSA-N 0 0 411.454 3.320 50 70 biogenic HGIARN COC(=O)C[C@@H](c1cc2ccccc2n(CC(C)C)c1=O)c1c(O)cc(C)oc1=O ZINC000217990820 568922304 /nfs/dbraw/zinc/92/23/04/568922304.db2.gz SNZYZKROFUFQQI-INIZCTEOSA-N 0 0 411.454 3.320 50 70 biogenic HGIARN COc1cc(OC)c([C@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc1OC ZINC000218102963 568925750 /nfs/dbraw/zinc/92/57/50/568925750.db2.gz YYWUQNXFBMOOSY-GFCCVEGCSA-N 0 0 404.415 3.179 50 70 biogenic HGIARN Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCn2cnc3ccccc32)n1 ZINC000218266947 568477105 /nfs/dbraw/zinc/47/71/05/568477105.db2.gz QWOTXWXIIAWABV-NRFANRHFSA-N 0 0 414.513 3.283 50 70 HGIARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cc(-c2cccnc2)on1 ZINC000218282392 568837499 /nfs/dbraw/zinc/83/74/99/568837499.db2.gz XVWZNYWBRMLPKL-MRXNPFEDSA-N 0 0 403.398 3.025 50 70 HGIARN COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)N[C@H](C)CCCC(C)C)[C@@H]4C2=O)cc1 ZINC000217518848 568887964 /nfs/dbraw/zinc/88/79/64/568887964.db2.gz OLAUHODKTOCQBC-OREFEKLXSA-N 0 0 412.530 3.313 50 70 biogenic HGIARN O=C(c1cc(=O)c2ccccc2o1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000217549696 568890731 /nfs/dbraw/zinc/89/07/31/568890731.db2.gz DJJSFWZFBSPIGU-HNNXBMFYSA-N 0 0 417.870 3.135 50 70 HGIARN O=S(=O)(c1cccc2cccnc21)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217669668 568903901 /nfs/dbraw/zinc/90/39/01/568903901.db2.gz GCUPBPPAVBHGOM-SFHVURJKSA-N 0 0 405.483 3.129 50 70 HGIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1ccco1 ZINC000217679987 568905120 /nfs/dbraw/zinc/90/51/20/568905120.db2.gz HRSXGADIDRGTJG-JOCHJYFZSA-N 0 0 415.449 3.143 50 70 biogenic HGIARN O=C(c1nc2ccccc2s1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217842960 568915908 /nfs/dbraw/zinc/91/59/08/568915908.db2.gz TXRDYKNDSQZLCY-CYBMUJFWSA-N 0 0 406.471 3.231 50 70 HGIARN O=C(c1ccc(F)c(F)c1F)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217847847 568915914 /nfs/dbraw/zinc/91/59/14/568915914.db2.gz BUBGTUJKIJHBMP-NSHDSACASA-N 0 0 403.364 3.039 50 70 HGIARN Cc1cc(-c2ccncc2)nn1CCNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000217871876 568917219 /nfs/dbraw/zinc/91/72/19/568917219.db2.gz ZXQZEERLQJQXRZ-UHFFFAOYSA-N 0 0 424.448 3.392 50 70 HGIARN COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc(OC)c(OC)c(OC)c43)cc2c1 ZINC000217944349 568920660 /nfs/dbraw/zinc/92/06/60/568920660.db2.gz NOVRVCJJXORFDF-CYBMUJFWSA-N 0 0 411.410 3.004 50 70 biogenic HGIARN COc1cc([C@@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)ccc1O ZINC000218114450 568925980 /nfs/dbraw/zinc/92/59/80/568925980.db2.gz ONFNJWUWVAZVQP-SFHVURJKSA-N 0 0 421.449 3.260 50 70 biogenic HGIARN COc1cn(CC(=O)Nc2ccc3[nH]c(CCc4ccccc4)nc3c2)c(C)cc1=O ZINC000218221027 568476475 /nfs/dbraw/zinc/47/64/75/568476475.db2.gz QXGGUOGNLRVTDB-UHFFFAOYSA-N 0 0 416.481 3.466 50 70 HGIARN O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)Nc1nnc(C2CCCCC2)s1 ZINC000218371698 568479417 /nfs/dbraw/zinc/47/94/17/568479417.db2.gz RZKCVPVGGFKCPH-AWEZNQCLSA-N 0 0 417.491 3.018 50 70 HGIARN Cn1c(CCCCCNC(=O)c2ccc(Cl)cc2-n2cnnn2)nc2ccccc21 ZINC000218481417 568480913 /nfs/dbraw/zinc/48/09/13/568480913.db2.gz IWWHYRONNXJAJS-UHFFFAOYSA-N 0 0 423.908 3.345 50 70 HGIARN O=C(CSCc1ccccc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217841303 568915604 /nfs/dbraw/zinc/91/56/04/568915604.db2.gz CVRWPHFPGXSRAY-QGZVFWFLSA-N 0 0 409.515 3.241 50 70 HGIARN COc1cc(OC)c([C@@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc1OC ZINC000218102895 568925688 /nfs/dbraw/zinc/92/56/88/568925688.db2.gz YYWUQNXFBMOOSY-LBPRGKRZSA-N 0 0 404.415 3.179 50 70 biogenic HGIARN COC(=O)c1sc(NC(=O)[C@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)nc1C ZINC000218475589 568933855 /nfs/dbraw/zinc/93/38/55/568933855.db2.gz VJVDJWSFFBKDGI-CJNGLKHVSA-N 0 0 417.512 3.225 50 70 HGIARN CSCC[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1nnc2ccccn21 ZINC000218185358 568475971 /nfs/dbraw/zinc/47/59/71/568475971.db2.gz DUCNQLSLSNPGQE-SFHVURJKSA-N 0 0 410.543 3.388 50 70 HGIARN COc1ccccc1N1C[C@H](C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)CC1=O ZINC000218171441 568476030 /nfs/dbraw/zinc/47/60/30/568476030.db2.gz UEUDLIHSYUDKAH-ZHRRBRCNSA-N 0 0 420.513 3.448 50 70 HGIARN COc1cc(NC(=O)CCN2C(=O)CC3(CCCC3)C2=O)ccc1-n1nc(C)cc1C ZINC000218316551 568478213 /nfs/dbraw/zinc/47/82/13/568478213.db2.gz SMNQZBOGMHCHGV-UHFFFAOYSA-N 0 0 424.501 3.146 50 70 HGIARN CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000218371115 568479386 /nfs/dbraw/zinc/47/93/86/568479386.db2.gz LQUXWKQIFIHESI-GCJKJVERSA-N 0 0 404.514 3.435 50 70 HGIARN Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000218568748 568481866 /nfs/dbraw/zinc/48/18/66/568481866.db2.gz IGUWNOHSFQPVME-OAHLLOKOSA-N 0 0 410.499 3.415 50 70 HGIARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H](C)C(=O)OC)C12CCCCC2 ZINC000217833156 568915391 /nfs/dbraw/zinc/91/53/91/568915391.db2.gz ZBAAAWJZXOWRAL-QFBILLFUSA-N 0 0 400.519 3.407 50 70 biogenic HGIARN COC(=O)[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 ZINC000217844270 568915917 /nfs/dbraw/zinc/91/59/17/568915917.db2.gz JRBXWHGRGVFCGA-LPHOPBHVSA-N 0 0 400.519 3.263 50 70 biogenic HGIARN CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)N[C@@H](C)C(=O)OC)C12CCCCC2 ZINC000217854251 568916543 /nfs/dbraw/zinc/91/65/43/568916543.db2.gz UPHVXNJYKQZXPR-BXWFABGCSA-N 0 0 400.519 3.405 50 70 biogenic HGIARN COc1ccc2cc([C@H]3CC(=O)Oc4cc(OC)c(OC)c(OC)c43)c(=O)[nH]c2c1 ZINC000218056097 568924896 /nfs/dbraw/zinc/92/48/96/568924896.db2.gz YHBSLPCGJBAYOX-CYBMUJFWSA-N 0 0 411.410 3.004 50 70 biogenic HGIARN COC(=O)c1sc(NC(=O)[C@@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)nc1C ZINC000218475507 568933847 /nfs/dbraw/zinc/93/38/47/568933847.db2.gz VJVDJWSFFBKDGI-BBRMVZONSA-N 0 0 417.512 3.225 50 70 HGIARN COc1ccccc1N1C[C@@H](C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)CC1=O ZINC000218171524 568476042 /nfs/dbraw/zinc/47/60/42/568476042.db2.gz UEUDLIHSYUDKAH-AOMKIAJQSA-N 0 0 420.513 3.448 50 70 HGIARN O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc(Cn2ccnc2)cc1 ZINC000218249293 568836993 /nfs/dbraw/zinc/83/69/93/568836993.db2.gz QYYCKXJJYPBHTM-FQEVSTJZSA-N 0 0 415.453 3.220 50 70 HGIARN O=C(N1Cc2cnc(N3CCOCC3)nc2C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000217609515 568897909 /nfs/dbraw/zinc/89/79/09/568897909.db2.gz WJMSCOWYJSLRRW-UHFFFAOYSA-N 0 0 412.921 3.321 50 70 HGIARN CCOc1ccc(S(=O)(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)cc1F ZINC000217667962 568903626 /nfs/dbraw/zinc/90/36/26/568903626.db2.gz FHDAYOSOSZBXIM-INIZCTEOSA-N 0 0 416.478 3.119 50 70 HGIARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)CC3 ZINC000217769633 568911169 /nfs/dbraw/zinc/91/11/69/568911169.db2.gz DQGFLDKDRGGBFV-QGZVFWFLSA-N 0 0 403.482 3.110 50 70 biogenic HGIARN COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O ZINC000217800088 568912912 /nfs/dbraw/zinc/91/29/12/568912912.db2.gz FQMWLWXVOYDTIY-HXUWFJFHSA-N 0 0 423.465 3.211 50 70 biogenic HGIARN CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)N[C@@H](C)C(=O)OC)C12CCCCC2 ZINC000217854331 568916473 /nfs/dbraw/zinc/91/64/73/568916473.db2.gz UPHVXNJYKQZXPR-GJYPPUQNSA-N 0 0 400.519 3.405 50 70 biogenic HGIARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc2ccccc2n1C ZINC000218371177 568479415 /nfs/dbraw/zinc/47/94/15/568479415.db2.gz LQUXWKQIFIHESI-AVRDEDQJSA-N 0 0 404.514 3.435 50 70 HGIARN COc1ccc2cc(NC(=O)c3c(C)cc(C)n(C[C@@H]4CCCO4)c3=O)cnc2c1 ZINC000218457880 568480689 /nfs/dbraw/zinc/48/06/89/568480689.db2.gz NUTWCXIGBPQWAB-IBGZPJMESA-N 0 0 407.470 3.453 50 70 HGIARN O=C(CCCCCNC(=O)c1cnccn1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000218523191 568481531 /nfs/dbraw/zinc/48/15/31/568481531.db2.gz RDODSARENMMDMN-IBGZPJMESA-N 0 0 406.490 3.007 50 70 HGIARN COc1ccc(-c2n[nH]c(C)c2CC(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)cc1 ZINC000218553616 568481780 /nfs/dbraw/zinc/48/17/80/568481780.db2.gz OCIOHGADTMRQRR-UHFFFAOYSA-N 0 0 420.448 3.423 50 70 HGIARN C[C@](O)(CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1cc2ccccc2s1 ZINC000217516097 568887678 /nfs/dbraw/zinc/88/76/78/568887678.db2.gz JFVQBNUMZNLUBO-FQEVSTJZSA-N 0 0 413.524 3.273 50 70 HGIARN CC(C)OCCCNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000217665348 568903703 /nfs/dbraw/zinc/90/37/03/568903703.db2.gz CBOWFNWZSYUGSW-JOCHJYFZSA-N 0 0 421.497 3.123 50 70 biogenic HGIARN O=c1cc(CN2CCCCC2)oc(CN2CCN(C/C=C/c3ccccc3)CC2)c1O ZINC000218348158 568929579 /nfs/dbraw/zinc/92/95/79/568929579.db2.gz RCXHRYURBWISGZ-JXMROGBWSA-N 0 0 423.557 3.162 50 70 HGIARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3CCC[C@H]23)C1O ZINC000217571254 569038918 /nfs/dbraw/zinc/03/89/18/569038918.db2.gz DGCKMEPKTUBWJY-TTYHFUOFSA-N 0 0 424.884 3.184 50 70 HGIARN COc1ccc2[nH]cc(CCNC(=O)Cn3ccc4c3cccc4NC(C)=O)c2c1 ZINC000217839721 568474132 /nfs/dbraw/zinc/47/41/32/568474132.db2.gz WXJOLWTXJJQMGH-UHFFFAOYSA-N 0 0 404.470 3.449 50 70 biogenic HGIARN O=C(Cc1nn(Cc2ccccc2)c(=O)c2ccccc12)NCCc1ccc(O)cc1 ZINC000218232249 568476738 /nfs/dbraw/zinc/47/67/38/568476738.db2.gz LUFNEYWFBLAWIK-UHFFFAOYSA-N 0 0 413.477 3.052 50 70 HGIARN COc1ccc(CCc2nnc(NC(=O)Cc3c[nH]c4ccccc34)[nH]2)cc1OC ZINC000218305408 568478130 /nfs/dbraw/zinc/47/81/30/568478130.db2.gz RQRXUUPTJDIHDZ-UHFFFAOYSA-N 0 0 405.458 3.270 50 70 HGIARN CSCC[C@H](NC(=O)c1cnc2c(F)cccc2c1O)c1nnc2ccccn21 ZINC000218325529 568478503 /nfs/dbraw/zinc/47/85/03/568478503.db2.gz PBPSMMDOWUXIFV-HNNXBMFYSA-N 0 0 411.462 3.346 50 70 HGIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1 ZINC000218416088 568480020 /nfs/dbraw/zinc/48/00/20/568480020.db2.gz YVGGMINVUADYKQ-QGZVFWFLSA-N 0 0 408.410 3.094 50 70 HGIARN COc1ccc(CCS(=O)(=O)NC[C@](C)(O)c2cc3ccccc3s2)cc1 ZINC000217513822 568887813 /nfs/dbraw/zinc/88/78/13/568887813.db2.gz ZLGJPAIQFMXVRU-FQEVSTJZSA-N 0 0 405.541 3.280 50 70 HGIARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217822624 568914489 /nfs/dbraw/zinc/91/44/89/568914489.db2.gz ALDWNOLZYDRIGR-HNNXBMFYSA-N 0 0 401.532 3.469 50 70 HGIARN CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)N[C@@H](C)C(=O)OC)C12CCCCC2 ZINC000217854096 568916565 /nfs/dbraw/zinc/91/65/65/568916565.db2.gz UPHVXNJYKQZXPR-TXPKVOOTSA-N 0 0 400.519 3.405 50 70 biogenic HGIARN COc1cccc(-c2cc(C(=O)NCCn3ccc(-c4ccsc4)n3)n(C)n2)c1 ZINC000217888870 568918103 /nfs/dbraw/zinc/91/81/03/568918103.db2.gz XZGXOKAIQRPOQK-UHFFFAOYSA-N 0 0 407.499 3.451 50 70 HGIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1nccs1 ZINC000217934218 568920288 /nfs/dbraw/zinc/92/02/88/568920288.db2.gz ZJENNKFAJIBPFO-SFHVURJKSA-N 0 0 404.451 3.287 50 70 biogenic HGIARN CC[C@H](C)[C@H](NC(=O)CCCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1 ZINC000218274202 568477231 /nfs/dbraw/zinc/47/72/31/568477231.db2.gz XLBQXCBUNNLVJR-LIRRHRJNSA-N 0 0 419.485 3.238 50 70 HGIARN Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCc2nc3ccccc3[nH]2)n1 ZINC000218333282 568478590 /nfs/dbraw/zinc/47/85/90/568478590.db2.gz IBHBYNQTXNPZHP-FQEVSTJZSA-N 0 0 400.486 3.309 50 70 HGIARN COC(=O)c1nc(NC(=O)[C@@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)sc1C ZINC000218448658 568480583 /nfs/dbraw/zinc/48/05/83/568480583.db2.gz XFNCUVDWKXRAHR-BBRMVZONSA-N 0 0 417.512 3.225 50 70 HGIARN O=C(NCC1(c2ccsc2)CCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000217485790 568884277 /nfs/dbraw/zinc/88/42/77/568884277.db2.gz ICKGUFCMBQKDHE-UHFFFAOYSA-N 0 0 411.527 3.442 50 70 HGIARN C[C@@](O)(CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1cc2ccccc2s1 ZINC000217516024 568887735 /nfs/dbraw/zinc/88/77/35/568887735.db2.gz JFVQBNUMZNLUBO-HXUWFJFHSA-N 0 0 413.524 3.273 50 70 HGIARN COc1cc([C@H](CC(N)=O)c2oc(C)cc(=O)c2O)ccc1OCCc1ccccc1 ZINC000217597722 568896582 /nfs/dbraw/zinc/89/65/82/568896582.db2.gz DAKGTNAYSQMKGI-SFHVURJKSA-N 0 0 423.465 3.291 50 70 biogenic HGIARN O=C(CSCc1ccccc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217841382 568915668 /nfs/dbraw/zinc/91/56/68/568915668.db2.gz CVRWPHFPGXSRAY-KRWDZBQOSA-N 0 0 409.515 3.241 50 70 HGIARN COc1ccc(-c2nnc3sc(Cn4cnc(Cl)c4Cl)nn32)cc1OC ZINC000218175320 568476086 /nfs/dbraw/zinc/47/60/86/568476086.db2.gz GGZFBDGWUGTRPT-UHFFFAOYSA-N 0 0 411.274 3.422 50 70 HGIARN COc1ccccc1CCN1C[C@@H](C(=O)Nc2ccc(C(F)(F)F)nc2)CC1=O ZINC000218195473 568476125 /nfs/dbraw/zinc/47/61/25/568476125.db2.gz YGIDWIDKPSERNL-AWEZNQCLSA-N 0 0 407.392 3.139 50 70 HGIARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(F)cc2F)CCO1 ZINC000218190749 568476199 /nfs/dbraw/zinc/47/61/99/568476199.db2.gz HDUABQUIAWIRSY-BDJLRTHQSA-N 0 0 409.458 3.359 50 70 HGIARN COc1ccc(CCNC(=O)C[C@@H]2NC(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000218494876 568481010 /nfs/dbraw/zinc/48/10/10/568481010.db2.gz SLJZYRCELQQSFR-FQEVSTJZSA-N 0 0 417.465 3.022 50 70 HGIARN C[C@](O)(CNS(=O)(=O)c1cccc2nsnc21)c1cc2ccccc2s1 ZINC000217515912 568887772 /nfs/dbraw/zinc/88/77/72/568887772.db2.gz DVOGOPHUELCSQZ-KRWDZBQOSA-N 0 0 405.526 3.092 50 70 HGIARN O=C(CCc1ccc(=O)n(Cc2ccccc2)n1)Nc1nc(-c2cccnc2)cs1 ZINC000217627560 568899599 /nfs/dbraw/zinc/89/95/99/568899599.db2.gz AAKOFKKMGKTNEF-UHFFFAOYSA-N 0 0 417.494 3.381 50 70 HGIARN COC(=O)C[C@H](c1ccccc1OC)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000217635561 568900963 /nfs/dbraw/zinc/90/09/63/568900963.db2.gz MKTVLLJINBIAJL-QGZVFWFLSA-N 0 0 401.459 3.035 50 70 biogenic HGIARN COC(=O)C[C@@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O)c1cccnc1 ZINC000217678037 568905141 /nfs/dbraw/zinc/90/51/41/568905141.db2.gz JSXGTIWBJBMYPL-GOSISDBHSA-N 0 0 421.497 3.487 50 70 biogenic HGIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCc1ccco1 ZINC000217709808 568907349 /nfs/dbraw/zinc/90/73/49/568907349.db2.gz QFYOODNVQAYEBU-OAQYLSRUSA-N 0 0 401.422 3.101 50 70 biogenic HGIARN COC(=O)C[C@H](c1cccc(O)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O ZINC000217733631 568908823 /nfs/dbraw/zinc/90/88/23/568908823.db2.gz KKMJSQLDDOGIKT-HXUWFJFHSA-N 0 0 423.465 3.211 50 70 biogenic HGIARN COc1cc2c(c(OC)c1OC)[C@H](c1cc3cccc4c3n(c1=O)CC4)CC(=O)O2 ZINC000217950114 568920668 /nfs/dbraw/zinc/92/06/68/568920668.db2.gz NCMZOTWCBVBGLG-AWEZNQCLSA-N 0 0 407.422 3.024 50 70 biogenic HGIARN COc1ccc([C@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)c(OC)c1OC ZINC000218000511 568922461 /nfs/dbraw/zinc/92/24/61/568922461.db2.gz CAWJVAIIPLSLQN-GFCCVEGCSA-N 0 0 404.415 3.179 50 70 biogenic HGIARN CC(C)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1ccc(O)cc1 ZINC000218114907 568925914 /nfs/dbraw/zinc/92/59/14/568925914.db2.gz UBRGPOGRFBUBFD-HSZRJFAPSA-N 0 0 407.470 3.356 50 70 biogenic HGIARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000217798699 568474082 /nfs/dbraw/zinc/47/40/82/568474082.db2.gz RHBJZDDOCCODAO-NRFANRHFSA-N 0 0 414.465 3.142 50 70 biogenic HGIARN O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217836705 568915563 /nfs/dbraw/zinc/91/55/63/568915563.db2.gz FTPGTVJHAKJLDK-QGZVFWFLSA-N 0 0 414.469 3.412 50 70 HGIARN O=C(c1ccc(F)c(F)c1F)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217847778 568915848 /nfs/dbraw/zinc/91/58/48/568915848.db2.gz BUBGTUJKIJHBMP-LLVKDONJSA-N 0 0 403.364 3.039 50 70 HGIARN O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1cnn(-c2ccccc2)n1 ZINC000217876867 568917297 /nfs/dbraw/zinc/91/72/97/568917297.db2.gz WUHGBGGNSLQCGT-UHFFFAOYSA-N 0 0 404.499 3.500 50 70 HGIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCc1ccco1 ZINC000217896962 568918655 /nfs/dbraw/zinc/91/86/55/568918655.db2.gz QJHGMNASFKRYMZ-JOCHJYFZSA-N 0 0 415.449 3.491 50 70 biogenic HGIARN O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000218126417 568926404 /nfs/dbraw/zinc/92/64/04/568926404.db2.gz UFPSAPHFKJSCOY-SFTDATJTSA-N 0 0 420.513 3.079 50 70 biogenic HGIARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(F)cc2F)CCO1 ZINC000218190881 568476204 /nfs/dbraw/zinc/47/62/04/568476204.db2.gz HDUABQUIAWIRSY-MEDUHNTESA-N 0 0 409.458 3.359 50 70 HGIARN CC(C)n1c(CCCNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)nc2ccccc21 ZINC000218290409 568477785 /nfs/dbraw/zinc/47/77/85/568477785.db2.gz RJLHLMZYDXZGNN-QGZVFWFLSA-N 0 0 408.502 3.308 50 70 HGIARN CC(C)C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nc2ccccc2n1C ZINC000218391893 568479780 /nfs/dbraw/zinc/47/97/80/568479780.db2.gz JVKIQSOZAADYSW-IBGZPJMESA-N 0 0 403.486 3.187 50 70 HGIARN COc1cn(CC(=O)Nc2n[nH]c([C@H](C)c3ccc(CC(C)C)cc3)n2)c(C)cc1=O ZINC000218535176 568481449 /nfs/dbraw/zinc/48/14/49/568481449.db2.gz ZUVLNBWCTHKUHZ-MRXNPFEDSA-N 0 0 423.517 3.272 50 70 HGIARN CC(C)n1nnc(-c2ccc(C(=O)Nc3nnc(CCc4ccccc4)[nH]3)cc2)n1 ZINC000218563665 568481785 /nfs/dbraw/zinc/48/17/85/568481785.db2.gz KJOSUBPYFGDBSO-UHFFFAOYSA-N 0 0 402.462 3.077 50 70 HGIARN O=C(c1ccc2ncsc2c1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217838206 568915492 /nfs/dbraw/zinc/91/54/92/568915492.db2.gz XWTHJEPNDSRVDI-CYBMUJFWSA-N 0 0 406.471 3.231 50 70 HGIARN Cn1nc(CN(Cc2ccco2)C(=O)c2cc(=O)c3ccccc3o2)c2c1CCC2 ZINC000217904058 568918975 /nfs/dbraw/zinc/91/89/75/568918975.db2.gz CXBMZPHNNOQYOU-UHFFFAOYSA-N 0 0 403.438 3.451 50 70 HGIARN COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc(OC)c(OC)c(OC)c43)cc2c1 ZINC000217944275 568920665 /nfs/dbraw/zinc/92/06/65/568920665.db2.gz NOVRVCJJXORFDF-ZDUSSCGKSA-N 0 0 411.410 3.004 50 70 biogenic HGIARN O=C(CN1c2cccnc2Sc2ccccc2C1=O)NCC(=O)c1ccccc1 ZINC000218126880 568475273 /nfs/dbraw/zinc/47/52/73/568475273.db2.gz AVHQNYKJMALJRJ-UHFFFAOYSA-N 0 0 403.463 3.192 50 70 HGIARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(F)cc2F)CCO1 ZINC000218190828 568476116 /nfs/dbraw/zinc/47/61/16/568476116.db2.gz HDUABQUIAWIRSY-BZNIZROVSA-N 0 0 409.458 3.359 50 70 HGIARN Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCc2nc3ccccc3[nH]2)n1 ZINC000218333203 568478565 /nfs/dbraw/zinc/47/85/65/568478565.db2.gz IBHBYNQTXNPZHP-HXUWFJFHSA-N 0 0 400.486 3.309 50 70 HGIARN CC(C)CCn1cnc2ccc(NC(=O)c3cc(-c4ccccn4)[nH]n3)cc2c1=O ZINC000218483351 568481029 /nfs/dbraw/zinc/48/10/29/568481029.db2.gz TWJIQPFLYAHAPD-UHFFFAOYSA-N 0 0 402.458 3.480 50 70 HGIARN C[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cc2ccccc2s1 ZINC000217514732 568887685 /nfs/dbraw/zinc/88/76/85/568887685.db2.gz JJKPRLOUUIIZSW-HXUWFJFHSA-N 0 0 419.524 3.249 50 70 HGIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1ccccc1 ZINC000217710223 568907273 /nfs/dbraw/zinc/90/72/73/568907273.db2.gz GJUOHBGPBIQJDF-QHCPKHFHSA-N 0 0 411.461 3.160 50 70 biogenic HGIARN O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217846224 568915815 /nfs/dbraw/zinc/91/58/15/568915815.db2.gz LVWNVVIMURPCRE-GFCCVEGCSA-N 0 0 418.379 3.035 50 70 HGIARN O=S(=O)(NCCn1ccc(-c2ccsc2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000217892582 568918680 /nfs/dbraw/zinc/91/86/80/568918680.db2.gz FOXJBGYCKZVVMS-UHFFFAOYSA-N 0 0 417.434 3.489 50 70 HGIARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000218050222 568924819 /nfs/dbraw/zinc/92/48/19/568924819.db2.gz QZRHDYOPQQXQSV-PMACEKPBSA-N 0 0 406.486 3.036 50 70 biogenic HGIARN COc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3c3cccnc3)CC2=O)c(OC)c1 ZINC000218062492 568924923 /nfs/dbraw/zinc/92/49/23/568924923.db2.gz QITRPVZRWPTOIY-HKUYNNGSSA-N 0 0 409.486 3.206 50 70 biogenic HGIARN CSCC[C@H](NC(=O)CCCn1c(C)cc(O)cc1=O)c1nc2ccccc2[nH]1 ZINC000218001495 569039098 /nfs/dbraw/zinc/03/90/98/569039098.db2.gz POFVTIBKPKZOFA-SFHVURJKSA-N 0 0 414.531 3.129 50 70 biogenic HGIARN O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1cccc2ncccc21 ZINC000218136769 568475534 /nfs/dbraw/zinc/47/55/34/568475534.db2.gz JATZDRGDMOIJKL-FQEVSTJZSA-N 0 0 402.454 3.117 50 70 HGIARN COc1ccc(N2C[C@H](C(=O)N[C@H](c3nc4ccccc4n3C)C(C)C)CC2=O)cc1 ZINC000218225367 568476605 /nfs/dbraw/zinc/47/66/05/568476605.db2.gz ONHLJZQFBRTEOK-ZHRRBRCNSA-N 0 0 420.513 3.448 50 70 HGIARN CSCC[C@@H](CO)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1 ZINC000218330233 568478432 /nfs/dbraw/zinc/47/84/32/568478432.db2.gz RBTZUNGRDPANTC-HNNXBMFYSA-N 0 0 404.923 3.160 50 70 HGIARN COc1cccc2c(O)c(C(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)cnc12 ZINC000218419335 568480113 /nfs/dbraw/zinc/48/01/13/568480113.db2.gz YMNDWHHRZSWRHV-UHFFFAOYSA-N 0 0 401.463 3.078 50 70 HGIARN O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1cc(-c2cccnc2)on1 ZINC000218282343 568837513 /nfs/dbraw/zinc/83/75/13/568837513.db2.gz XVWZNYWBRMLPKL-INIZCTEOSA-N 0 0 403.398 3.025 50 70 HGIARN C[C@](O)(CNC(=O)CCS(=O)(=O)c1ccccc1)c1cc2ccccc2s1 ZINC000217505202 568886282 /nfs/dbraw/zinc/88/62/82/568886282.db2.gz GLLGVBASAYTMTL-FQEVSTJZSA-N 0 0 403.525 3.089 50 70 HGIARN CC(C)OCCCNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000217665437 568903650 /nfs/dbraw/zinc/90/36/50/568903650.db2.gz CBOWFNWZSYUGSW-QFIPXVFZSA-N 0 0 421.497 3.123 50 70 biogenic HGIARN COc1cccc2cc(C(=O)N3CCC[C@@H](Cc4nc(-c5cnccn5)no4)C3)oc21 ZINC000217837725 568915476 /nfs/dbraw/zinc/91/54/76/568915476.db2.gz DZZYLAYHYBIYPC-AWEZNQCLSA-N 0 0 419.441 3.376 50 70 HGIARN O=C(NCCn1ccc(-c2ccsc2)n1)c1ccccc1S(=O)(=O)C(F)F ZINC000217888979 568918148 /nfs/dbraw/zinc/91/81/48/568918148.db2.gz SIONTBGHUOOUSG-UHFFFAOYSA-N 0 0 411.455 3.038 50 70 HGIARN O=C(N[C@H](CO)Cc1ccccc1)[C@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000217905944 568919003 /nfs/dbraw/zinc/91/90/03/568919003.db2.gz MEVTZQKHWKPRLG-GMAHTHKFSA-N 0 0 400.478 3.104 50 70 biogenic HGIARN COc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3c3cccnc3)CC2=O)c(OC)c1 ZINC000218062406 568924997 /nfs/dbraw/zinc/92/49/97/568924997.db2.gz QITRPVZRWPTOIY-MJGOQNOKSA-N 0 0 409.486 3.206 50 70 biogenic HGIARN COc1cccc2c(O)c(C(=O)N[C@@H](CCSC)c3nnc4ccccn43)cnc12 ZINC000218269269 568477198 /nfs/dbraw/zinc/47/71/98/568477198.db2.gz URJRPMIGJXNTFH-HNNXBMFYSA-N 0 0 423.498 3.216 50 70 HGIARN CSCC[C@H](NC(=O)c1cnc2ccc(F)cc2c1O)c1nnc2ccccn21 ZINC000218287991 568477644 /nfs/dbraw/zinc/47/76/44/568477644.db2.gz KJZGVZGJNJNXQK-INIZCTEOSA-N 0 0 411.462 3.346 50 70 HGIARN CC(C)[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nc2ccccc2n1C(C)C ZINC000218410078 568479970 /nfs/dbraw/zinc/47/99/70/568479970.db2.gz ZCGFUHHBZRAYEU-NRFANRHFSA-N 0 0 418.501 3.236 50 70 HGIARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1-n1cnnn1)c1nc2ccccc2n1C ZINC000218443784 568480426 /nfs/dbraw/zinc/48/04/26/568480426.db2.gz FQOVCMFMUQOTKZ-SFHVURJKSA-N 0 0 409.881 3.330 50 70 HGIARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217667847 568903695 /nfs/dbraw/zinc/90/36/95/568903695.db2.gz XDKGWJCWCATXBZ-FQEVSTJZSA-N 0 0 408.527 3.460 50 70 HGIARN O=C(COc1ccc(Cl)cc1Cl)N1[C@@H]2CC[C@H]1CC(N1C(=O)CCC1=O)C2 ZINC000217764672 568911141 /nfs/dbraw/zinc/91/11/41/568911141.db2.gz QPMGPDFRWIOFCZ-PBWFPOADSA-N 0 0 411.285 3.043 50 70 HGIARN Cn1nc(CN(Cc2ccco2)C(=O)c2cc3ccccc3oc2=O)c2c1CCC2 ZINC000217903658 568919047 /nfs/dbraw/zinc/91/90/47/568919047.db2.gz PERRSEUZXXBOIH-UHFFFAOYSA-N 0 0 403.438 3.451 50 70 HGIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000217966901 568921323 /nfs/dbraw/zinc/92/13/23/568921323.db2.gz GUVXAWJXJRHDNX-SFHVURJKSA-N 0 0 419.433 3.275 50 70 biogenic HGIARN CC(=O)Nc1cccc(NC(=O)CCc2c(C)[nH]c3c4ccccc4nn3c2=O)c1 ZINC000218536441 568936610 /nfs/dbraw/zinc/93/66/10/568936610.db2.gz KMVVLYLMOPTPBV-UHFFFAOYSA-N 0 0 403.442 3.014 50 70 HGIARN COc1ccccc1CCN1C[C@H](C(=O)Nc2ccc(C(F)(F)F)nc2)CC1=O ZINC000218195409 568476115 /nfs/dbraw/zinc/47/61/15/568476115.db2.gz YGIDWIDKPSERNL-CQSZACIVSA-N 0 0 407.392 3.139 50 70 HGIARN COc1ccccc1-n1cc(C(=O)Nc2nnc(C(C)C)[nH]2)c2ccccc2c1=O ZINC000218233570 568476743 /nfs/dbraw/zinc/47/67/43/568476743.db2.gz OFFBDTCKHDQBIL-UHFFFAOYSA-N 0 0 403.442 3.493 50 70 HGIARN COc1ccc([C@@H](c2sc3ncnn3c2[O-])[NH+]2CCCCC2)c(OC)c1OC ZINC000218606963 568482400 /nfs/dbraw/zinc/48/24/00/568482400.db2.gz MOORAAHWKSACEE-AWEZNQCLSA-N 0 0 404.492 3.098 50 70 HGIARN CC(C)CCn1cnc2ccc(NC(=O)CCN3Cc4ccccc4C3=O)cc2c1=O ZINC000218494985 568878765 /nfs/dbraw/zinc/87/87/65/568878765.db2.gz MLPWAPWNGYAFFP-UHFFFAOYSA-N 0 0 418.497 3.427 50 70 HGIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCc1ccco1 ZINC000217709893 568907343 /nfs/dbraw/zinc/90/73/43/568907343.db2.gz QFYOODNVQAYEBU-NRFANRHFSA-N 0 0 401.422 3.101 50 70 biogenic HGIARN CC(C)c1nc2cc(NC(=O)[C@@H]3CC(=O)N(CCc4ccc(O)cc4)C3)ccc2[nH]1 ZINC000217779731 568911485 /nfs/dbraw/zinc/91/14/85/568911485.db2.gz ANCLRUHJVJWCSU-MRXNPFEDSA-N 0 0 406.486 3.422 50 70 biogenic HGIARN O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217846277 568915867 /nfs/dbraw/zinc/91/58/67/568915867.db2.gz LVWNVVIMURPCRE-LBPRGKRZSA-N 0 0 418.379 3.035 50 70 HGIARN COc1ccc2c(c1)cc([C@@H]1CC(=O)Oc3cc(C)oc(=O)c31)c(=O)n2CC(C)C ZINC000218009420 568922637 /nfs/dbraw/zinc/92/26/37/568922637.db2.gz QYOCXGBDERKFSN-INIZCTEOSA-N 0 0 409.438 3.369 50 70 biogenic HGIARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)N1CCCC[C@H]1c1cccnc1)C=C2 ZINC000218022130 568923666 /nfs/dbraw/zinc/92/36/66/568923666.db2.gz SARJRQGFVLGOCU-FQEVSTJZSA-N 0 0 421.497 3.208 50 70 biogenic HGIARN COC(=O)c1sc(NC(=O)[C@@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)nc1C ZINC000218475671 568933980 /nfs/dbraw/zinc/93/39/80/568933980.db2.gz VJVDJWSFFBKDGI-XJKSGUPXSA-N 0 0 417.512 3.225 50 70 HGIARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1cccc2ncccc21 ZINC000218203033 568476282 /nfs/dbraw/zinc/47/62/82/568476282.db2.gz HXDRTYYCUULMKP-SFHVURJKSA-N 0 0 408.845 3.337 50 70 HGIARN CC(C)C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1nc2ccccc2n1C ZINC000218271455 568477206 /nfs/dbraw/zinc/47/72/06/568477206.db2.gz AJMACMUSLIHDRB-IBGZPJMESA-N 0 0 403.486 3.256 50 70 HGIARN COc1ccccc1CCN1C[C@@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1=O ZINC000218408176 568479920 /nfs/dbraw/zinc/47/99/20/568479920.db2.gz FDXSQAQEILRGCY-AWEZNQCLSA-N 0 0 407.392 3.139 50 70 HGIARN O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1cccc(-n2cccn2)c1 ZINC000218281921 568837519 /nfs/dbraw/zinc/83/75/19/568837519.db2.gz XXPQEXTYJIDBGG-IBGZPJMESA-N 0 0 401.426 3.161 50 70 HGIARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)CC3 ZINC000217769724 568911232 /nfs/dbraw/zinc/91/12/32/568911232.db2.gz DQGFLDKDRGGBFV-KRWDZBQOSA-N 0 0 403.482 3.110 50 70 biogenic HGIARN O=C(c1ccc2ncsc2c1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217838277 568915529 /nfs/dbraw/zinc/91/55/29/568915529.db2.gz XWTHJEPNDSRVDI-ZDUSSCGKSA-N 0 0 406.471 3.231 50 70 HGIARN COc1cccc(N2C[C@@H](C(=O)NCCn3nc(-c4cccs4)cc3C)CC2=O)c1 ZINC000217874113 568917310 /nfs/dbraw/zinc/91/73/10/568917310.db2.gz RLTHBRJRNYGPCY-INIZCTEOSA-N 0 0 424.526 3.098 50 70 HGIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCc1ccco1 ZINC000217897033 568918591 /nfs/dbraw/zinc/91/85/91/568918591.db2.gz QJHGMNASFKRYMZ-QFIPXVFZSA-N 0 0 415.449 3.491 50 70 biogenic HGIARN Cn1nc(CN(Cc2ccco2)C(=O)Cn2c(=O)oc3ccccc32)cc1C1CC1 ZINC000217895884 568918651 /nfs/dbraw/zinc/91/86/51/568918651.db2.gz NREYRIBYQZJPRS-UHFFFAOYSA-N 0 0 406.442 3.027 50 70 HGIARN O=C(c1cnn2c1CCCC2)N1CCN(C(=O)C2(c3cccs3)CCCC2)CC1 ZINC000217977806 568921820 /nfs/dbraw/zinc/92/18/20/568921820.db2.gz TXXNRMSRZCZBHD-UHFFFAOYSA-N 0 0 412.559 3.077 50 70 HGIARN COc1cc([C@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)ccc1O ZINC000218114543 568925870 /nfs/dbraw/zinc/92/58/70/568925870.db2.gz ONFNJWUWVAZVQP-GOSISDBHSA-N 0 0 421.449 3.260 50 70 biogenic HGIARN COCCn1c(CNC(=O)CC2(n3cccc3)CCSCC2)nc2ccccc21 ZINC000218358903 568479226 /nfs/dbraw/zinc/47/92/26/568479226.db2.gz IMDUMBYITYMPSE-UHFFFAOYSA-N 0 0 412.559 3.413 50 70 HGIARN CC(C)[C@H](NC(=O)CCCCCNC(=O)c1cnccn1)c1nc2ccccc2[nH]1 ZINC000218457380 568480648 /nfs/dbraw/zinc/48/06/48/568480648.db2.gz BEBINVGUNUMSKD-FQEVSTJZSA-N 0 0 408.506 3.157 50 70 HGIARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1 ZINC000217834819 568915336 /nfs/dbraw/zinc/91/53/36/568915336.db2.gz KJYPRNCUTCECHM-INIZCTEOSA-N 0 0 416.503 3.293 50 70 HGIARN O=C(Cn1c(=O)oc2ccccc21)NCCn1nc(-c2ccsc2)cc1C1CC1 ZINC000217878992 568917418 /nfs/dbraw/zinc/91/74/18/568917418.db2.gz QKLVWMWUUSMORN-UHFFFAOYSA-N 0 0 408.483 3.213 50 70 HGIARN COC(=O)C[C@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O)c1ccncc1 ZINC000217919012 568919723 /nfs/dbraw/zinc/91/97/23/568919723.db2.gz JXIXCBCVMKEZMU-SFHVURJKSA-N 0 0 421.497 3.487 50 70 biogenic HGIARN COC(=O)C[C@@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[nH][nH]c1=O)c1ccncc1 ZINC000217918921 568919824 /nfs/dbraw/zinc/91/98/24/568919824.db2.gz JXIXCBCVMKEZMU-GOSISDBHSA-N 0 0 421.497 3.487 50 70 biogenic HGIARN COc1ccc([C@@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)cc1O ZINC000218058184 568924959 /nfs/dbraw/zinc/92/49/59/568924959.db2.gz VFSQYMKEXKANSS-SFHVURJKSA-N 0 0 421.449 3.260 50 70 biogenic HGIARN CC(C)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1ccc(O)cc1 ZINC000218114836 568925927 /nfs/dbraw/zinc/92/59/27/568925927.db2.gz UBRGPOGRFBUBFD-QHCPKHFHSA-N 0 0 407.470 3.356 50 70 biogenic HGIARN COC(=O)C[C@H](c1ccc(F)c(F)c1)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000218120763 568926073 /nfs/dbraw/zinc/92/60/73/568926073.db2.gz CQYDTCINLMRQQT-OAHLLOKOSA-N 0 0 407.413 3.305 50 70 HGIARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(F)cc2F)CCO1 ZINC000218190953 568476112 /nfs/dbraw/zinc/47/61/12/568476112.db2.gz HDUABQUIAWIRSY-ZBEGNZNMSA-N 0 0 409.458 3.359 50 70 HGIARN CC(C)C[C@H](NC(=O)CCCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1 ZINC000218356532 568479081 /nfs/dbraw/zinc/47/90/81/568479081.db2.gz VMSRJFUUGRLJRX-SFHVURJKSA-N 0 0 419.485 3.238 50 70 HGIARN COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)Nc2ccc3c(ccn3C)c2)C1=O ZINC000218373455 568479381 /nfs/dbraw/zinc/47/93/81/568479381.db2.gz QPRZKLWREQKLQQ-SFHVURJKSA-N 0 0 420.469 3.026 50 70 HGIARN CC(C)C[C@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2n1C ZINC000218399986 568479732 /nfs/dbraw/zinc/47/97/32/568479732.db2.gz BEMNPMQFJAFCHC-HKUYNNGSSA-N 0 0 406.534 3.483 50 70 HGIARN CC(C)C[C@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2n1C ZINC000218399885 568479734 /nfs/dbraw/zinc/47/97/34/568479734.db2.gz BEMNPMQFJAFCHC-MJGOQNOKSA-N 0 0 406.534 3.483 50 70 HGIARN CCOC(=O)Cc1csc(NC(=O)c2c3cnn(C(C)C)c3nc3c2CCC3)n1 ZINC000218521270 568481401 /nfs/dbraw/zinc/48/14/01/568481401.db2.gz JKNPCVVZURIXPC-UHFFFAOYSA-N 0 0 413.503 3.315 50 70 HGIARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1cnn(CC2CCOCC2)c1 ZINC000218246693 568836920 /nfs/dbraw/zinc/83/69/20/568836920.db2.gz WZRVRJUCHWQHSM-UHFFFAOYSA-N 0 0 403.426 3.270 50 70 HGIARN COc1ccc(OC)c(-c2cc(C(=O)NCC[C@H](O)c3ccsc3)n(C)n2)c1 ZINC000217534249 568889713 /nfs/dbraw/zinc/88/97/13/568889713.db2.gz VTEXEEUBEUYGRD-SFHVURJKSA-N 0 0 401.488 3.019 50 70 HGIARN COC(=O)C[C@@H](c1cccc(O)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O ZINC000217733707 568908787 /nfs/dbraw/zinc/90/87/87/568908787.db2.gz KKMJSQLDDOGIKT-FQEVSTJZSA-N 0 0 423.465 3.211 50 70 biogenic HGIARN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000217881301 568474227 /nfs/dbraw/zinc/47/42/27/568474227.db2.gz OPYPELMCJNBQBR-UHFFFAOYSA-N 0 0 422.510 3.079 50 70 biogenic HGIARN CC[C@H](C)[C@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1nc2ccccc2[nH]1 ZINC000218142021 568475746 /nfs/dbraw/zinc/47/57/46/568475746.db2.gz ZVYDJVUQKAUSES-NYHFZMIOSA-N 0 0 407.518 3.292 50 70 HGIARN CC(C)[C@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)c1nc2ccccc2n1C ZINC000218204231 568476355 /nfs/dbraw/zinc/47/63/55/568476355.db2.gz UMNXMDZSBVCZJZ-NRFANRHFSA-N 0 0 421.526 3.372 50 70 HGIARN COc1cn(CC(=O)NCCc2nc(-c3ccc(Cl)cc3)cs2)c(C)cc1=O ZINC000218297490 568477926 /nfs/dbraw/zinc/47/79/26/568477926.db2.gz NPFWOBPUSIHGFQ-UHFFFAOYSA-N 0 0 417.918 3.301 50 70 HGIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)Cc1ccc2c(c1)OCCCO2 ZINC000218314577 568478254 /nfs/dbraw/zinc/47/82/54/568478254.db2.gz RXOVZKVPKBUUCY-INIZCTEOSA-N 0 0 409.486 3.264 50 70 HGIARN O=C(CC1(n2cccc2)CCOCC1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000218319109 568478393 /nfs/dbraw/zinc/47/83/93/568478393.db2.gz ILZGDIGMLUBSSA-UHFFFAOYSA-N 0 0 422.451 3.147 50 70 HGIARN COC(=O)c1nc(NC(=O)[C@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)sc1C ZINC000218448890 568480544 /nfs/dbraw/zinc/48/05/44/568480544.db2.gz XFNCUVDWKXRAHR-CZUORRHYSA-N 0 0 417.512 3.225 50 70 HGIARN COC(=O)C[C@@H](c1ccccc1OC)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000217635476 568901010 /nfs/dbraw/zinc/90/10/10/568901010.db2.gz MKTVLLJINBIAJL-KRWDZBQOSA-N 0 0 401.459 3.035 50 70 biogenic HGIARN COc1ccc(S(=O)(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)cc1Cl ZINC000217668348 568903866 /nfs/dbraw/zinc/90/38/66/568903866.db2.gz GWMMRHZLMYTRLV-HNNXBMFYSA-N 0 0 418.906 3.243 50 70 HGIARN Cc1cc(OC2CN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)C2)cc(=O)o1 ZINC000217753361 568910438 /nfs/dbraw/zinc/91/04/38/568910438.db2.gz GXECTPVFNWPGHQ-UHFFFAOYSA-N 0 0 423.796 3.072 50 70 HGIARN COc1cccc2cc(C(=O)N3CCC[C@H](Cc4nc(-c5cnccn5)no4)C3)oc21 ZINC000217837650 568915503 /nfs/dbraw/zinc/91/55/03/568915503.db2.gz DZZYLAYHYBIYPC-CQSZACIVSA-N 0 0 419.441 3.376 50 70 HGIARN COC(=O)[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 ZINC000217844340 568915895 /nfs/dbraw/zinc/91/58/95/568915895.db2.gz JRBXWHGRGVFCGA-QFBILLFUSA-N 0 0 400.519 3.263 50 70 biogenic HGIARN COc1ccc(CC(=O)N(Cc2ccco2)Cc2nn(C)c3c2CCC3)cc1OC ZINC000217903227 568919083 /nfs/dbraw/zinc/91/90/83/568919083.db2.gz GZZKOACUVWFOFG-UHFFFAOYSA-N 0 0 409.486 3.291 50 70 HGIARN