smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1ccccc1 ZINC000216786433 568467359 /nfs/dbraw/zinc/46/73/59/568467359.db2.gz VGNOIBYKGJROQI-MRXNPFEDSA-N 0 0 417.531 2.122 40 70 HEIBRN Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1 ZINC000216861709 568468411 /nfs/dbraw/zinc/46/84/11/568468411.db2.gz FCXSCYOCFSTUBA-UHFFFAOYSA-N 0 0 401.532 2.170 40 70 HEIBRN Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216859111 568468467 /nfs/dbraw/zinc/46/84/67/568468467.db2.gz ABKKHAHMYBNMAO-UHFFFAOYSA-N 0 0 405.495 2.000 40 70 HEIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCc1ccc(F)cc1 ZINC000216864999 568468592 /nfs/dbraw/zinc/46/85/92/568468592.db2.gz AUJHVOZJJWVGJU-UHFFFAOYSA-N 0 0 405.495 2.000 40 70 HEIBRN Cc1cc(C)nc(N2CCC[C@@H](C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)C2)n1 ZINC000218024714 568474674 /nfs/dbraw/zinc/47/46/74/568474674.db2.gz WIDNECGZKJJZKQ-IPMKNSEASA-N 0 0 407.518 2.117 40 70 HEIBRN Cc1cc(C)cc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 ZINC000218241111 568476723 /nfs/dbraw/zinc/47/67/23/568476723.db2.gz PGHOISSCTDFRBU-UHFFFAOYSA-N 0 0 414.487 2.436 40 70 HEIBRN Cc1ccc(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1C ZINC000218243826 568476859 /nfs/dbraw/zinc/47/68/59/568476859.db2.gz YVESADCLQNYESK-UHFFFAOYSA-N 0 0 420.516 2.497 40 70 HEIBRN CCc1ccccc1N(CC(=O)NCc1nc(-c2ccccc2)no1)S(C)(=O)=O ZINC000218245696 568476865 /nfs/dbraw/zinc/47/68/65/568476865.db2.gz PAJSYFKWTBOGQC-UHFFFAOYSA-N 0 0 414.487 2.381 40 70 HEIBRN COc1ccc(OC[C@H](C)NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 ZINC000218322896 568478327 /nfs/dbraw/zinc/47/83/27/568478327.db2.gz JFOMFSZWFDYSEV-AWEZNQCLSA-N 0 0 410.467 2.184 40 70 HEIBRN COc1ccc(-c2noc(CNC(=O)c3ccccc3N(C)S(C)(=O)=O)n2)cc1 ZINC000218344866 568478883 /nfs/dbraw/zinc/47/88/83/568478883.db2.gz KUSLCMWBKMIQDI-UHFFFAOYSA-N 0 0 416.459 2.071 40 70 HEIBRN CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1N(C)S(C)(=O)=O ZINC000218346083 568478893 /nfs/dbraw/zinc/47/88/93/568478893.db2.gz GCAHRJCVHYYXPK-UHFFFAOYSA-N 0 0 406.489 2.466 40 70 HEIBRN COc1cccc(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1 ZINC000218417047 568479994 /nfs/dbraw/zinc/47/99/94/568479994.db2.gz SJZLFPHZHNVORY-UHFFFAOYSA-N 0 0 405.520 2.057 40 70 HEIBRN COc1ccccc1CCCNC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 ZINC000218761915 568483403 /nfs/dbraw/zinc/48/34/03/568483403.db2.gz XPWFFTPWVPYTED-UHFFFAOYSA-N 0 0 420.531 2.214 40 70 HEIBRN COc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000216854763 568468300 /nfs/dbraw/zinc/46/83/00/568468300.db2.gz NFGKXVXSSGEVEZ-UHFFFAOYSA-N 0 0 403.504 2.192 40 70 HEIBRN Cc1ccc(C(=O)NCCCOC2CCCC2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216859963 568468517 /nfs/dbraw/zinc/46/85/17/568468517.db2.gz BWSUKCAPOSSMLG-UHFFFAOYSA-N 0 0 423.579 2.010 40 70 HEIBRN CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCOC3CCCCC3)c2)CC1 ZINC000216868212 568468781 /nfs/dbraw/zinc/46/87/81/568468781.db2.gz QVYUDXCRRXWDQH-UHFFFAOYSA-N 0 0 423.579 2.092 40 70 HEIBRN CCOC(=O)C1CCN(C(=O)[C@@]23C[C@H]4C[C@@H](C2)C[C@](n2nnc(C)n2)(C4)C3)CC1 ZINC000217506006 568472493 /nfs/dbraw/zinc/47/24/93/568472493.db2.gz AAVXTMBUKKSOPE-IFCLKOLQSA-N 0 0 401.511 2.079 40 70 HEIBRN Cc1ccc(C)c(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 ZINC000218239655 568476724 /nfs/dbraw/zinc/47/67/24/568476724.db2.gz QLPLKALAXMXOBL-UHFFFAOYSA-N 0 0 420.516 2.497 40 70 HEIBRN COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000218264627 568477111 /nfs/dbraw/zinc/47/71/11/568477111.db2.gz ZFWNDDBUSDWHIX-CQSZACIVSA-N 0 0 410.467 2.184 40 70 HEIBRN COc1cccc(-c2noc(CNC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)n2)c1 ZINC000218338046 568478749 /nfs/dbraw/zinc/47/87/49/568478749.db2.gz JESHCSRIFVUNKD-UHFFFAOYSA-N 0 0 416.459 2.071 40 70 HEIBRN Cc1ccc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1 ZINC000218233953 568476713 /nfs/dbraw/zinc/47/67/13/568476713.db2.gz LOUQKWKRKPWYPJ-UHFFFAOYSA-N 0 0 400.460 2.127 40 70 HEIBRN CCc1ccccc1N(CC(=O)NCc1nc(-c2cccs2)no1)S(C)(=O)=O ZINC000218246337 568476824 /nfs/dbraw/zinc/47/68/24/568476824.db2.gz XCKDOEPHBYDZQR-UHFFFAOYSA-N 0 0 420.516 2.443 40 70 HEIBRN CCOc1ccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000218259283 568476967 /nfs/dbraw/zinc/47/69/67/568476967.db2.gz BTIZLTRJOWYVAO-UHFFFAOYSA-N 0 0 419.547 2.494 40 70 HEIBRN CN(Cc1nc(-c2cccs2)no1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000218263985 568477106 /nfs/dbraw/zinc/47/71/06/568477106.db2.gz GSMNTTAJMSGZBV-UHFFFAOYSA-N 0 0 424.479 2.362 40 70 HEIBRN C[C@@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1ccccc1)S(C)(=O)=O ZINC000218291278 568477780 /nfs/dbraw/zinc/47/77/80/568477780.db2.gz QHRRPCHDXFAWTK-LBPRGKRZSA-N 0 0 406.489 2.269 40 70 HEIBRN CC(C)Oc1cccc(CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000218326593 568478506 /nfs/dbraw/zinc/47/85/06/568478506.db2.gz JYKYUEXDFCOJFT-UHFFFAOYSA-N 0 0 416.499 2.367 40 70 HEIBRN COc1ccccc1CCCNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000218416923 568479973 /nfs/dbraw/zinc/47/99/73/568479973.db2.gz ZIOQMYWONYVCDY-UHFFFAOYSA-N 0 0 405.520 2.057 40 70 HEIBRN Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000218418633 568480071 /nfs/dbraw/zinc/48/00/71/568480071.db2.gz JKHCJIBIXBDVJC-QGZVFWFLSA-N 0 0 405.520 2.192 40 70 HEIBRN C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218449149 568480529 /nfs/dbraw/zinc/48/05/29/568480529.db2.gz BSDYEFPWHPEXAY-OAHLLOKOSA-N 0 0 423.485 2.468 40 70 HEIBRN CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 ZINC000218638469 568482642 /nfs/dbraw/zinc/48/26/42/568482642.db2.gz WEQSQUQYLSZFJN-UHFFFAOYSA-N 0 0 408.476 2.404 40 70 HEIBRN CCS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000218643502 568482670 /nfs/dbraw/zinc/48/26/70/568482670.db2.gz GJLZCKQCKATDGR-UHFFFAOYSA-N 0 0 416.459 2.437 40 70 HEIBRN CNS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1N1CCN(C)CC1 ZINC000216790584 568467429 /nfs/dbraw/zinc/46/74/29/568467429.db2.gz VZHNWRQBZLTSNH-UHFFFAOYSA-N 0 0 422.938 2.252 40 70 HEIBRN Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216857327 568468448 /nfs/dbraw/zinc/46/84/48/568468448.db2.gz GYMORZVNCAWMKZ-UHFFFAOYSA-N 0 0 409.458 2.462 40 70 HEIBRN Cc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1 ZINC000216883220 568469173 /nfs/dbraw/zinc/46/91/73/568469173.db2.gz WGOFWMNKDPXAPZ-UHFFFAOYSA-N 0 0 401.532 2.002 40 70 HEIBRN CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)CC1 ZINC000216885799 568469185 /nfs/dbraw/zinc/46/91/85/568469185.db2.gz XGUXIUYEWGBSRA-UHFFFAOYSA-N 0 0 409.458 2.294 40 70 HEIBRN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)[C@H]4C2=O)no1 ZINC000217717237 568473564 /nfs/dbraw/zinc/47/35/64/568473564.db2.gz UARBUGLCFYZGSF-GQCQOZDVSA-N 0 0 407.470 2.407 40 70 HEIBRN CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000218226621 568476591 /nfs/dbraw/zinc/47/65/91/568476591.db2.gz BEDNIOFVMKTRGN-UHFFFAOYSA-N 0 0 420.878 2.472 40 70 HEIBRN COc1ccc(OC[C@H](C)NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 ZINC000218311418 568478260 /nfs/dbraw/zinc/47/82/60/568478260.db2.gz IFESVBXPPMLNGT-HNNXBMFYSA-N 0 0 422.503 2.054 40 70 HEIBRN CC[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218337501 568478730 /nfs/dbraw/zinc/47/87/30/568478730.db2.gz MYLFWKQIUSKJHJ-GOSISDBHSA-N 0 0 424.544 2.367 40 70 HEIBRN Cc1ccc(OC[C@@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 ZINC000218418823 568480090 /nfs/dbraw/zinc/48/00/90/568480090.db2.gz PHXIAAHFMPSHKD-QGZVFWFLSA-N 0 0 405.520 2.192 40 70 HEIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 ZINC000218443863 568480450 /nfs/dbraw/zinc/48/04/50/568480450.db2.gz KULVOAXOPJMEFM-UHFFFAOYSA-N 0 0 400.460 2.453 40 70 HEIBRN C[C@@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218464076 568480645 /nfs/dbraw/zinc/48/06/45/568480645.db2.gz IVBORDCMAOWEQZ-NSHDSACASA-N 0 0 424.479 2.408 40 70 HEIBRN COc1ccc(CCCNC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1 ZINC000218762035 568483406 /nfs/dbraw/zinc/48/34/06/568483406.db2.gz NSGZOVDOPVTNRY-UHFFFAOYSA-N 0 0 420.531 2.214 40 70 HEIBRN COc1ccc(C(=O)Nc2ccc(C)cc2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216783893 568467212 /nfs/dbraw/zinc/46/72/12/568467212.db2.gz NEXIQGYQROWIGI-UHFFFAOYSA-N 0 0 403.504 2.192 40 70 HEIBRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H](C)c1ccccc1 ZINC000216786391 568467355 /nfs/dbraw/zinc/46/73/55/568467355.db2.gz VGNOIBYKGJROQI-INIZCTEOSA-N 0 0 417.531 2.122 40 70 HEIBRN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1 ZINC000216861041 568468462 /nfs/dbraw/zinc/46/84/62/568468462.db2.gz ASFSQBITWYSSGQ-UHFFFAOYSA-N 0 0 403.504 2.192 40 70 HEIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(F)cc1F ZINC000216862490 568468588 /nfs/dbraw/zinc/46/85/88/568468588.db2.gz ULOUJISFBZGDEG-UHFFFAOYSA-N 0 0 409.458 2.462 40 70 HEIBRN COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000218255650 568476926 /nfs/dbraw/zinc/47/69/26/568476926.db2.gz MUSXVGXAHQVXCX-OAHLLOKOSA-N 0 0 422.503 2.054 40 70 HEIBRN COc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000218264690 568477038 /nfs/dbraw/zinc/47/70/38/568477038.db2.gz ZFWNDDBUSDWHIX-AWEZNQCLSA-N 0 0 410.467 2.184 40 70 HEIBRN COc1ccc(OC[C@H](C)NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000218262511 568477093 /nfs/dbraw/zinc/47/70/93/568477093.db2.gz WEOGQBRYNZVILQ-AWEZNQCLSA-N 0 0 410.467 2.184 40 70 HEIBRN COc1ccc(N([C@H](C)C(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000218275765 568477338 /nfs/dbraw/zinc/47/73/38/568477338.db2.gz GJSFYOSIJAAEKP-MRXNPFEDSA-N 0 0 406.504 2.353 40 70 HEIBRN C[C@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1ccccc1)S(C)(=O)=O ZINC000218291323 568477802 /nfs/dbraw/zinc/47/78/02/568477802.db2.gz QHRRPCHDXFAWTK-GFCCVEGCSA-N 0 0 406.489 2.269 40 70 HEIBRN COc1ccc(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OC ZINC000218335162 568478574 /nfs/dbraw/zinc/47/85/74/568478574.db2.gz IDRAIBUMTBGAKD-UHFFFAOYSA-N 0 0 406.504 2.462 40 70 HEIBRN Cc1ccccc1OC[C@H](C)NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 ZINC000218762778 568483385 /nfs/dbraw/zinc/48/33/85/568483385.db2.gz PGVKFLUORJFJSM-KRWDZBQOSA-N 0 0 420.531 2.349 40 70 HEIBRN CNS(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1N1CCN(C)CC1 ZINC000216790253 568467414 /nfs/dbraw/zinc/46/74/14/568467414.db2.gz ZAHRZVWWVVELAT-UHFFFAOYSA-N 0 0 416.547 2.216 40 70 HEIBRN Cc1ccc(CN(C)C(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1 ZINC000216889256 568469137 /nfs/dbraw/zinc/46/91/37/568469137.db2.gz MBSZMBGFAZEPGT-UHFFFAOYSA-N 0 0 415.559 2.344 40 70 HEIBRN COc1ccc(N([C@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000218276160 568477337 /nfs/dbraw/zinc/47/73/37/568477337.db2.gz DCVJSUMATMSSMO-MRXNPFEDSA-N 0 0 405.520 2.102 40 70 HEIBRN CC[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(OC)c(OC)c1 ZINC000218328964 568478448 /nfs/dbraw/zinc/47/84/48/568478448.db2.gz DUIRZNZDBHVMSU-HNNXBMFYSA-N 0 0 418.471 2.116 40 70 HEIBRN Cc1ccc(-c2noc(CNC(=O)c3ccccc3N(C)S(C)(=O)=O)n2)cc1 ZINC000218344647 568478879 /nfs/dbraw/zinc/47/88/79/568478879.db2.gz MNSUBWDVNZCFLS-UHFFFAOYSA-N 0 0 400.460 2.371 40 70 HEIBRN CCS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000218643403 568482671 /nfs/dbraw/zinc/48/26/71/568482671.db2.gz VONRVZQODHILIH-UHFFFAOYSA-N 0 0 416.459 2.437 40 70 HEIBRN COc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216784301 568467171 /nfs/dbraw/zinc/46/71/71/568467171.db2.gz MUSCBMRBHXNYTK-UHFFFAOYSA-N 0 0 407.467 2.023 40 70 HEIBRN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1C ZINC000216842792 568468047 /nfs/dbraw/zinc/46/80/47/568468047.db2.gz ZJMOSHLAUDBPFG-UHFFFAOYSA-N 0 0 403.504 2.192 40 70 HEIBRN COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C ZINC000216861398 568468531 /nfs/dbraw/zinc/46/85/31/568468531.db2.gz WROBKCUKWDMRSN-UHFFFAOYSA-N 0 0 403.504 2.192 40 70 HEIBRN Cc1cc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCCc3c[nH]c5ccccc35)[C@H]4C2=O)no1 ZINC000217525467 568472636 /nfs/dbraw/zinc/47/26/36/568472636.db2.gz RAPAGQRQJCEFGK-USKVXJDGSA-N 0 0 418.453 2.110 40 70 biogenic HEIBRN CC(=O)Nc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccccc3)[C@H]4C2=O)cc1 ZINC000217524627 568472685 /nfs/dbraw/zinc/47/26/85/568472685.db2.gz KPMOOWYJUJQXOS-XARGGIHNSA-N 0 0 417.465 2.248 40 70 biogenic HEIBRN Cc1ccc(-c2noc(CNC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 ZINC000218337946 568478715 /nfs/dbraw/zinc/47/87/15/568478715.db2.gz CKRFZMKTIJCSDN-UHFFFAOYSA-N 0 0 400.460 2.371 40 70 HEIBRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1ccc(Cl)cc1Cl ZINC000218351365 568478957 /nfs/dbraw/zinc/47/89/57/568478957.db2.gz OLSNLZPIRKCWQY-UHFFFAOYSA-N 0 0 416.286 2.497 40 70 HEIBRN C[C@@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218463157 568480674 /nfs/dbraw/zinc/48/06/74/568480674.db2.gz PEEYHJMFHMAQOZ-ZDUSSCGKSA-N 0 0 418.450 2.347 40 70 HEIBRN Cc1ccc(OC[C@@H](C)NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1 ZINC000218762846 568483399 /nfs/dbraw/zinc/48/33/99/568483399.db2.gz OHIKXDTVVXLEDN-QGZVFWFLSA-N 0 0 420.531 2.349 40 70 HEIBRN Cc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1 ZINC000216864623 568468602 /nfs/dbraw/zinc/46/86/02/568468602.db2.gz CQTPQCOVWXVHDG-UHFFFAOYSA-N 0 0 401.532 2.170 40 70 HEIBRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000217927280 568474321 /nfs/dbraw/zinc/47/43/21/568474321.db2.gz FASGMAYOKJWLLA-XBXARRHUSA-N 0 0 400.456 2.268 40 70 HEIBRN Cc1cccc(-c2noc(CNC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)n2)c1 ZINC000218265184 568477084 /nfs/dbraw/zinc/47/70/84/568477084.db2.gz WZXIDBZJUAVXBG-UHFFFAOYSA-N 0 0 418.450 2.267 40 70 HEIBRN CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1N(C)S(C)(=O)=O ZINC000218345339 568478789 /nfs/dbraw/zinc/47/87/89/568478789.db2.gz ZJUGIHFGTAGUGA-UHFFFAOYSA-N 0 0 400.460 2.405 40 70 HEIBRN CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218403957 568479905 /nfs/dbraw/zinc/47/99/05/568479905.db2.gz QACUWEVGWRZGLW-QGZVFWFLSA-N 0 0 410.517 2.343 40 70 HEIBRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 ZINC000218770630 568483524 /nfs/dbraw/zinc/48/35/24/568483524.db2.gz KEKQVPFAZFTEHX-MRXNPFEDSA-N 0 0 405.520 2.435 40 70 HEIBRN Cc1ccc(C(=O)NCCCc2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216858366 568468469 /nfs/dbraw/zinc/46/84/69/568468469.db2.gz OKJVTFZGZFGFAD-UHFFFAOYSA-N 0 0 415.559 2.294 40 70 HEIBRN Cc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 ZINC000216883163 568469010 /nfs/dbraw/zinc/46/90/10/568469010.db2.gz XLVPOVMZHNVTDE-UHFFFAOYSA-N 0 0 401.532 2.002 40 70 HEIBRN Cc1cccc(-c2noc(CNC(=O)CN(c3ccccc3C)S(C)(=O)=O)n2)c1 ZINC000218228721 568476615 /nfs/dbraw/zinc/47/66/15/568476615.db2.gz XXTVACXXORTTJP-UHFFFAOYSA-N 0 0 414.487 2.436 40 70 HEIBRN COc1ccc(CN(C)C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 ZINC000218260137 568476955 /nfs/dbraw/zinc/47/69/55/568476955.db2.gz BCFNRGKHWHUFOD-UHFFFAOYSA-N 0 0 422.503 2.137 40 70 HEIBRN COc1ccc(N([C@@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000218279015 568477344 /nfs/dbraw/zinc/47/73/44/568477344.db2.gz GSOUUYYKBJUAMP-KRWDZBQOSA-N 0 0 419.547 2.492 40 70 HEIBRN COc1ccccc1N(CC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O ZINC000218312578 568478202 /nfs/dbraw/zinc/47/82/02/568478202.db2.gz VLTIKHLRWYYTAD-UHFFFAOYSA-N 0 0 405.520 2.104 40 70 HEIBRN CC1(C)C[C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c2ccccc2O1 ZINC000218326785 568478477 /nfs/dbraw/zinc/47/84/77/568478477.db2.gz VCOIYPJCNTXSEE-OAHLLOKOSA-N 0 0 400.456 2.250 40 70 HEIBRN Cc1ccc(C(=O)NCCCN2CCOCC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000218517329 568481372 /nfs/dbraw/zinc/48/13/72/568481372.db2.gz JBLIDRFVCOQRJH-UHFFFAOYSA-N 0 0 423.579 2.012 40 70 HEIBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000218754414 568483311 /nfs/dbraw/zinc/48/33/11/568483311.db2.gz GKAOQUPFUAROQY-HXUWFJFHSA-N 0 0 418.515 2.386 40 70 HEIBRN Cc1nc(-n2cccc2)sc1C(=O)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217623388 569050822 /nfs/dbraw/zinc/05/08/22/569050822.db2.gz RMMHWYGCSPIUCH-UHFFFAOYSA-N 0 0 410.503 2.067 40 70 HEIBRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C ZINC000216843060 568468062 /nfs/dbraw/zinc/46/80/62/568468062.db2.gz NIZYIHSNGDXQDU-UHFFFAOYSA-N 0 0 403.504 2.192 40 70 HEIBRN CC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 ZINC000216856846 568468415 /nfs/dbraw/zinc/46/84/15/568468415.db2.gz LHMKETNXSIAVLH-UHFFFAOYSA-N 0 0 415.515 2.386 40 70 HEIBRN CN1CCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)ccc2Cl)CC1 ZINC000216869935 568468738 /nfs/dbraw/zinc/46/87/38/568468738.db2.gz UIBQWJVRDVVIIS-JJRVBVJISA-N 0 0 411.955 2.195 40 70 HEIBRN CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)CC1 ZINC000216884630 568469166 /nfs/dbraw/zinc/46/91/66/568469166.db2.gz WDQHOSXMZXYUKT-UHFFFAOYSA-N 0 0 409.458 2.294 40 70 HEIBRN COc1ccc(N([C@H](C)C(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000218279086 568477335 /nfs/dbraw/zinc/47/73/35/568477335.db2.gz GSOUUYYKBJUAMP-QGZVFWFLSA-N 0 0 419.547 2.492 40 70 HEIBRN COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000218285144 568477430 /nfs/dbraw/zinc/47/74/30/568477430.db2.gz PIUIYGXVTIQGCJ-HZPDHXFCSA-N 0 0 406.504 2.433 40 70 HEIBRN CS(=O)(=O)N(CC(=O)NCc1nc(-c2cccs2)no1)c1cccc(F)c1 ZINC000218324087 568478306 /nfs/dbraw/zinc/47/83/06/568478306.db2.gz MOOYBELMHUVJRL-UHFFFAOYSA-N 0 0 410.452 2.020 40 70 HEIBRN CN(Cc1nc(-c2cccs2)no1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000218324681 568478308 /nfs/dbraw/zinc/47/83/08/568478308.db2.gz XTEBVBPTMTYQCZ-UHFFFAOYSA-N 0 0 424.479 2.362 40 70 HEIBRN C[C@@H](CCc1ccccc1)NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000218433359 568480312 /nfs/dbraw/zinc/48/03/12/568480312.db2.gz ZBDMPUXRFIBTCK-INIZCTEOSA-N 0 0 418.515 2.361 40 70 HEIBRN Cc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 ZINC000216855225 568468315 /nfs/dbraw/zinc/46/83/15/568468315.db2.gz BDWYJBUCUHDFJH-UHFFFAOYSA-N 0 0 401.532 2.170 40 70 HEIBRN C[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc(F)cc1 ZINC000216888501 568469065 /nfs/dbraw/zinc/46/90/65/568469065.db2.gz ZMABGZQVFGRRDW-MRXNPFEDSA-N 0 0 419.522 2.394 40 70 HEIBRN CC(C)[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)N1Cc2ccccc2C1=O ZINC000218038479 568474775 /nfs/dbraw/zinc/47/47/75/568474775.db2.gz QFOWWUFQNOPXDD-CECAUBDESA-N 0 0 405.498 2.475 40 70 HEIBRN Cc1ccccc1N(CC(=O)N(C)Cc1nc(-c2ccccc2)no1)S(C)(=O)=O ZINC000218229360 568476619 /nfs/dbraw/zinc/47/66/19/568476619.db2.gz YLWBPUGDKNFUFP-UHFFFAOYSA-N 0 0 414.487 2.470 40 70 HEIBRN Cc1ccc(-c2noc(CNC(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)n2)cc1 ZINC000218234147 568476728 /nfs/dbraw/zinc/47/67/28/568476728.db2.gz DEILSSBBXWFSAZ-UHFFFAOYSA-N 0 0 414.487 2.436 40 70 HEIBRN Cc1cccc(-c2noc(CNC(=O)CN(c3ccccc3F)S(C)(=O)=O)n2)c1 ZINC000218262957 568477095 /nfs/dbraw/zinc/47/70/95/568477095.db2.gz BYLRXGKDXGNBJK-UHFFFAOYSA-N 0 0 418.450 2.267 40 70 HEIBRN COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000218275680 568477299 /nfs/dbraw/zinc/47/72/99/568477299.db2.gz GJSFYOSIJAAEKP-INIZCTEOSA-N 0 0 406.504 2.353 40 70 HEIBRN C[C@@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1ccccc1)S(C)(=O)=O ZINC000218290255 568477796 /nfs/dbraw/zinc/47/77/96/568477796.db2.gz KQCQTWVMOQHHGI-AWEZNQCLSA-N 0 0 400.460 2.208 40 70 HEIBRN COc1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(OC)c1OC ZINC000218332876 568478578 /nfs/dbraw/zinc/47/85/78/568478578.db2.gz CQHBPMNOJXZWQH-UHFFFAOYSA-N 0 0 408.476 2.038 40 70 HEIBRN COc1ccc(-c2noc(CNC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 ZINC000218338146 568478737 /nfs/dbraw/zinc/47/87/37/568478737.db2.gz HUHRFVNFBBXDLX-UHFFFAOYSA-N 0 0 416.459 2.071 40 70 HEIBRN C[C@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218464152 568480703 /nfs/dbraw/zinc/48/07/03/568480703.db2.gz IVBORDCMAOWEQZ-LLVKDONJSA-N 0 0 424.479 2.408 40 70 HEIBRN COc1cccc(-c2noc(CNC(=O)c3cccc(NS(C)(=O)=O)c3C)n2)c1 ZINC000218581664 568481973 /nfs/dbraw/zinc/48/19/73/568481973.db2.gz IVHXXAQCJMVAFO-UHFFFAOYSA-N 0 0 416.459 2.355 40 70 HEIBRN Cc1ccccc1OC[C@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000218767691 568483427 /nfs/dbraw/zinc/48/34/27/568483427.db2.gz ZCNUDEOFAYFHRS-INIZCTEOSA-N 0 0 423.510 2.331 40 70 HEIBRN Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 ZINC000218770441 568483567 /nfs/dbraw/zinc/48/35/67/568483567.db2.gz YMQLVRJUANICQW-MRXNPFEDSA-N 0 0 405.520 2.435 40 70 HEIBRN COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216783364 568467152 /nfs/dbraw/zinc/46/71/52/568467152.db2.gz ZDFDIORMQJWIOC-MRXNPFEDSA-N 0 0 417.531 2.122 40 70 HEIBRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(C)cc1 ZINC000216786956 568467361 /nfs/dbraw/zinc/46/73/61/568467361.db2.gz KYLITVUSSMAIBR-UHFFFAOYSA-N 0 0 403.504 2.192 40 70 HEIBRN CC(=O)Nc1cccc2c1ccn2CC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217806135 568474052 /nfs/dbraw/zinc/47/40/52/568474052.db2.gz DSRSRMLQZUCPFX-DLBZAZTESA-N 0 0 404.470 2.407 40 70 HEIBRN O=C(c1cc(-c2ccc3c(c2)CCO3)n[nH]1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217988976 568474413 /nfs/dbraw/zinc/47/44/13/568474413.db2.gz KLVJSZKYELEMLK-WMLDXEAASA-N 0 0 402.454 2.433 40 70 HEIBRN Cc1ccc(N(CC(=O)NCc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)cc1 ZINC000218234041 568476699 /nfs/dbraw/zinc/47/66/99/568476699.db2.gz CIYUDWAUIVANHX-UHFFFAOYSA-N 0 0 414.487 2.436 40 70 HEIBRN Cc1cc(C)cc(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 ZINC000218241769 568476747 /nfs/dbraw/zinc/47/67/47/568476747.db2.gz FDTYRYGVGSYVNJ-UHFFFAOYSA-N 0 0 420.516 2.497 40 70 HEIBRN COc1ccc(OC[C@H](C)NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000218254078 568476864 /nfs/dbraw/zinc/47/68/64/568476864.db2.gz JOEOISZEAFUFJW-HNNXBMFYSA-N 0 0 422.503 2.054 40 70 HEIBRN COc1cc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc(OC)c1OC ZINC000218286292 568477568 /nfs/dbraw/zinc/47/75/68/568477568.db2.gz XTSNNXTVCYJOSH-CQSZACIVSA-N 0 0 422.503 2.183 40 70 HEIBRN CN(Cc1ccc(OCC(=O)NCCCc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000218761846 568483409 /nfs/dbraw/zinc/48/34/09/568483409.db2.gz AWYFGFQYQLYCMH-UHFFFAOYSA-N 0 0 408.495 2.345 40 70 HEIBRN COC[C@]1(C(N)=S)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218162708 568926965 /nfs/dbraw/zinc/92/69/65/568926965.db2.gz JEYWFLURVMEEEK-LNLFQRSKSA-N 0 0 405.497 2.274 40 70 HEIBRN Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216856324 568468294 /nfs/dbraw/zinc/46/82/94/568468294.db2.gz SHDLAEBTMYCNMW-UHFFFAOYSA-N 0 0 409.458 2.462 40 70 HEIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCCOC1CCCC1 ZINC000216865843 568468661 /nfs/dbraw/zinc/46/86/61/568468661.db2.gz WUDUDGKZGGWDMW-UHFFFAOYSA-N 0 0 423.579 2.010 40 70 HEIBRN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@H](C)CCc3ccccc3)[C@H]4C2=O)no1 ZINC000217717138 568473533 /nfs/dbraw/zinc/47/35/33/568473533.db2.gz UARBUGLCFYZGSF-AAISOIRCSA-N 0 0 407.470 2.407 40 70 HEIBRN Cc1ccc(-c2noc(CNC(=O)CN(c3ccccc3)S(C)(=O)=O)n2)cc1 ZINC000218226094 568476583 /nfs/dbraw/zinc/47/65/83/568476583.db2.gz HYGMVMAGVOCFHF-UHFFFAOYSA-N 0 0 400.460 2.127 40 70 HEIBRN Cc1ccc(-c2noc(CNC(=O)CN(c3ccccc3C)S(C)(=O)=O)n2)cc1 ZINC000218228803 568476596 /nfs/dbraw/zinc/47/65/96/568476596.db2.gz DYIKMLZNQYEZAS-UHFFFAOYSA-N 0 0 414.487 2.436 40 70 HEIBRN Cc1ccc(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1 ZINC000218234631 568476702 /nfs/dbraw/zinc/47/67/02/568476702.db2.gz VFZMGKDMBKVMTF-UHFFFAOYSA-N 0 0 406.489 2.189 40 70 HEIBRN CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccccc2)no1)c1ccccc1Cl ZINC000218249114 568476847 /nfs/dbraw/zinc/47/68/47/568476847.db2.gz BWDVGJKGVVIUFN-UHFFFAOYSA-N 0 0 420.878 2.472 40 70 HEIBRN COc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000218255720 568476965 /nfs/dbraw/zinc/47/69/65/568476965.db2.gz MUSXVGXAHQVXCX-HNNXBMFYSA-N 0 0 422.503 2.054 40 70 HEIBRN COc1ccc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c(OC)c1OC ZINC000218283709 568477468 /nfs/dbraw/zinc/47/74/68/568477468.db2.gz CDGSMVABYCJDHP-CQSZACIVSA-N 0 0 422.503 2.183 40 70 HEIBRN CCCOc1ccccc1CCCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000218327059 568478501 /nfs/dbraw/zinc/47/85/01/568478501.db2.gz ODVBFWMKLNFRSZ-UHFFFAOYSA-N 0 0 416.499 2.369 40 70 HEIBRN CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000218338649 568478778 /nfs/dbraw/zinc/47/87/78/568478778.db2.gz CXYBKBQLLBULKX-UHFFFAOYSA-N 0 0 400.460 2.405 40 70 HEIBRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 ZINC000218439075 568480337 /nfs/dbraw/zinc/48/03/37/568480337.db2.gz WTQYLSLKMCHRJW-UHFFFAOYSA-N 0 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LLIFEQUALUAMNR-UHFFFAOYSA-N 0 0 418.450 2.267 40 70 HEIBRN Cc1cccc(-c2noc(CNC(=O)c3ccccc3N(C)S(C)(=O)=O)n2)c1 ZINC000218344544 568478870 /nfs/dbraw/zinc/47/88/70/568478870.db2.gz SLUYLMRGPXXOAN-UHFFFAOYSA-N 0 0 400.460 2.371 40 70 HEIBRN CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218404038 568479801 /nfs/dbraw/zinc/47/98/01/568479801.db2.gz QACUWEVGWRZGLW-KRWDZBQOSA-N 0 0 410.517 2.343 40 70 HEIBRN COc1ccc(-c2noc(CN(C)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 ZINC000218405370 568479911 /nfs/dbraw/zinc/47/99/11/568479911.db2.gz GCXAMNQRQIBGTE-UHFFFAOYSA-N 0 0 416.459 2.389 40 70 HEIBRN COc1cccc(-c2noc(CN(C)C(=O)c3cccc(NS(C)(=O)=O)c3)n2)c1 ZINC000218570782 568481858 /nfs/dbraw/zinc/48/18/58/568481858.db2.gz RDBGCOHOTJBXRF-UHFFFAOYSA-N 0 0 416.459 2.389 40 70 HEIBRN Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 ZINC000218767875 568483394 /nfs/dbraw/zinc/48/33/94/568483394.db2.gz XTZNNOSTABLBRR-INIZCTEOSA-N 0 0 423.510 2.331 40 70 HEIBRN COc1cccc(CCCNC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c1 ZINC000218761970 568483439 /nfs/dbraw/zinc/48/34/39/568483439.db2.gz SDQWHNSOFGPPFQ-UHFFFAOYSA-N 0 0 420.531 2.214 40 70 HEIBRN Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 ZINC000218770522 568483493 /nfs/dbraw/zinc/48/34/93/568483493.db2.gz YMQLVRJUANICQW-INIZCTEOSA-N 0 0 405.520 2.435 40 70 HEIBRN CCOc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1 ZINC000216887562 568469160 /nfs/dbraw/zinc/46/91/60/568469160.db2.gz VFORZQDUISUOQY-UHFFFAOYSA-N 0 0 417.531 2.415 40 70 HEIBRN CN(Cc1nc(-c2ccccc2)no1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000218263561 568477099 /nfs/dbraw/zinc/47/70/99/568477099.db2.gz GZUAGQCHMIFXMR-UHFFFAOYSA-N 0 0 418.450 2.300 40 70 HEIBRN CCOc1ccc(N([C@@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000218295107 568477835 /nfs/dbraw/zinc/47/78/35/568477835.db2.gz PKZLOQGGAWCMPD-KRWDZBQOSA-N 0 0 419.547 2.492 40 70 HEIBRN CCOc1ccc(N([C@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000218295159 568477849 /nfs/dbraw/zinc/47/78/49/568477849.db2.gz PKZLOQGGAWCMPD-QGZVFWFLSA-N 0 0 419.547 2.492 40 70 HEIBRN CCOc1ccccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000218427065 568480222 /nfs/dbraw/zinc/48/02/22/568480222.db2.gz CTSYYDQTAQOTPR-UHFFFAOYSA-N 0 0 406.460 2.261 40 70 HEIBRN C[C@H](CCc1ccccc1)NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000218433434 568480333 /nfs/dbraw/zinc/48/03/33/568480333.db2.gz ZBDMPUXRFIBTCK-MRXNPFEDSA-N 0 0 418.515 2.361 40 70 HEIBRN Cc1ccccc1OC[C@@H](C)NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 ZINC000218762737 568483412 /nfs/dbraw/zinc/48/34/12/568483412.db2.gz PGVKFLUORJFJSM-QGZVFWFLSA-N 0 0 420.531 2.349 40 70 HEIBRN CCS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000218764282 568483415 /nfs/dbraw/zinc/48/34/15/568483415.db2.gz WRXHJRNKLGZGLW-UHFFFAOYSA-N 0 0 422.478 2.460 40 70 HEIBRN CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)c2)CC1 ZINC000216876305 568468916 /nfs/dbraw/zinc/46/89/16/568468916.db2.gz VCBZRYJMUITWHM-PMUMKWKESA-N 0 0 411.955 2.195 40 70 HEIBRN Cc1nnn([C@@]23C[C@@H]4C[C@@H](C[C@@](C(=O)N5CCN(c6ccccn6)CC5)(C4)C2)C3)n1 ZINC000217485578 568472343 /nfs/dbraw/zinc/47/23/43/568472343.db2.gz ZMOGAAXDCIPUTM-MTIDIVMFSA-N 0 0 407.522 2.021 40 70 HEIBRN COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(Cc4ccco4)C[C@@]34C=C[C@@H]2O4)c(OC)c1 ZINC000217520163 568472650 /nfs/dbraw/zinc/47/26/50/568472650.db2.gz NXAYTYPSBKIVNE-ZBPHCFQXSA-N 0 0 410.426 2.218 40 70 biogenic HEIBRN Cc1ccc(N(CC(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1 ZINC000218234736 568476701 /nfs/dbraw/zinc/47/67/01/568476701.db2.gz GSGOGZOJJXNIBF-UHFFFAOYSA-N 0 0 414.487 2.470 40 70 HEIBRN Cc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 ZINC000218767795 568483431 /nfs/dbraw/zinc/48/34/31/568483431.db2.gz XTZNNOSTABLBRR-MRXNPFEDSA-N 0 0 423.510 2.331 40 70 HEIBRN COc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1 ZINC000216882038 568469000 /nfs/dbraw/zinc/46/90/00/568469000.db2.gz LSPCNRVFSWOFBW-UHFFFAOYSA-N 0 0 403.504 2.025 40 70 HEIBRN COc1ccc(OC[C@@H](C)NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000218254029 568476861 /nfs/dbraw/zinc/47/68/61/568476861.db2.gz JOEOISZEAFUFJW-OAHLLOKOSA-N 0 0 422.503 2.054 40 70 HEIBRN COc1ccc(C)cc1N(CC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O ZINC000218267829 568477062 /nfs/dbraw/zinc/47/70/62/568477062.db2.gz JYPMOQVYEWCTCW-UHFFFAOYSA-N 0 0 419.547 2.412 40 70 HEIBRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000218332230 568478563 /nfs/dbraw/zinc/47/85/63/568478563.db2.gz FNAZMWKBDLEEGP-UHFFFAOYSA-N 0 0 422.459 2.139 40 70 HEIBRN CC[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218337596 568478777 /nfs/dbraw/zinc/47/87/77/568478777.db2.gz MYLFWKQIUSKJHJ-SFHVURJKSA-N 0 0 424.544 2.367 40 70 HEIBRN CC[C@@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000218344264 568478887 /nfs/dbraw/zinc/47/88/87/568478887.db2.gz JVCRCXPCQPPAKJ-QGZVFWFLSA-N 0 0 424.544 2.367 40 70 HEIBRN CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000218428802 568480187 /nfs/dbraw/zinc/48/01/87/568480187.db2.gz CPXQQWDRPIWIPH-UHFFFAOYSA-N 0 0 410.879 2.194 40 70 HEIBRN CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000218428468 568480205 /nfs/dbraw/zinc/48/02/05/568480205.db2.gz MZPBAQZQKZNXLJ-UHFFFAOYSA-N 0 0 422.528 2.132 40 70 HEIBRN C[C@H](C(=O)N1CCN(c2ccccc2F)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218449334 568480557 /nfs/dbraw/zinc/48/05/57/568480557.db2.gz KHQHSDGBALITCS-OAHLLOKOSA-N 0 0 423.485 2.468 40 70 HEIBRN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 ZINC000218770701 568483535 /nfs/dbraw/zinc/48/35/35/568483535.db2.gz KEKQVPFAZFTEHX-INIZCTEOSA-N 0 0 405.520 2.435 40 70 HEIBRN Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(F)c(F)c1 ZINC000216863427 568468590 /nfs/dbraw/zinc/46/85/90/568468590.db2.gz JNGZAHFMROWRCI-UHFFFAOYSA-N 0 0 409.458 2.462 40 70 HEIBRN Cc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 ZINC000216867520 568468649 /nfs/dbraw/zinc/46/86/49/568468649.db2.gz RZGGXROXHSYWNR-UHFFFAOYSA-N 0 0 415.559 2.294 40 70 HEIBRN CN1CCN(S(=O)(=O)c2cc(C(=O)NCCc3ccccc3)ccc2Cl)CC1 ZINC000216868961 568468779 /nfs/dbraw/zinc/46/87/79/568468779.db2.gz FHGFROFAKHRJOQ-UHFFFAOYSA-N 0 0 421.950 2.249 40 70 HEIBRN CN(Cc1nc(-c2ccccc2)no1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000218226817 568476602 /nfs/dbraw/zinc/47/66/02/568476602.db2.gz FKGMYNNETVIQJN-UHFFFAOYSA-N 0 0 400.460 2.161 40 70 HEIBRN Cc1cccc(-c2noc(CNC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)n2)c1 ZINC000218231390 568476720 /nfs/dbraw/zinc/47/67/20/568476720.db2.gz FJUBDUCYIROKJT-UHFFFAOYSA-N 0 0 414.487 2.436 40 70 HEIBRN CN(Cc1nc(-c2ccccc2)no1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000218265699 568477104 /nfs/dbraw/zinc/47/71/04/568477104.db2.gz KNJVTTLIKYPZNT-UHFFFAOYSA-N 0 0 418.450 2.300 40 70 HEIBRN CCOc1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000218427168 568480224 /nfs/dbraw/zinc/48/02/24/568480224.db2.gz GRGHMTKJEVOLGD-UHFFFAOYSA-N 0 0 406.460 2.261 40 70 HEIBRN CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)ccc1N1CCN(C)CC1 ZINC000216793331 568467542 /nfs/dbraw/zinc/46/75/42/568467542.db2.gz JHQAWTLXCSSOOS-UHFFFAOYSA-N 0 0 416.547 2.297 40 70 HEIBRN CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCc3ccc(F)cc3)c2)CC1 ZINC000216867190 568468680 /nfs/dbraw/zinc/46/86/80/568468680.db2.gz BJZLGDOSRSRMNO-UHFFFAOYSA-N 0 0 419.522 2.124 40 70 HEIBRN COc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1 ZINC000216881972 568468908 /nfs/dbraw/zinc/46/89/08/568468908.db2.gz YDHNGTYASDIGKQ-UHFFFAOYSA-N 0 0 403.504 2.025 40 70 HEIBRN CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCC3=CCCCC3)cc2)CC1 ZINC000216884394 568469093 /nfs/dbraw/zinc/46/90/93/568469093.db2.gz GZJLSSHMPFWBGK-UHFFFAOYSA-N 0 0 405.564 2.384 40 70 HEIBRN COc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(Cc4ccco4)C[C@@]34C=C[C@@H]2O4)c(OC)c1 ZINC000217520248 568472641 /nfs/dbraw/zinc/47/26/41/568472641.db2.gz NXAYTYPSBKIVNE-FUOQNJDISA-N 0 0 410.426 2.218 40 70 biogenic HEIBRN Cc1cc(C)nc(N2CCC[C@H](C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)C2)n1 ZINC000218024628 568474583 /nfs/dbraw/zinc/47/45/83/568474583.db2.gz WIDNECGZKJJZKQ-GBESFXJTSA-N 0 0 407.518 2.117 40 70 HEIBRN Cc1cccc(-c2noc(CNC(=O)CN(c3ccccc3)S(C)(=O)=O)n2)c1 ZINC000218226004 568476600 /nfs/dbraw/zinc/47/66/00/568476600.db2.gz GGTDNNXJMHBJDH-UHFFFAOYSA-N 0 0 400.460 2.127 40 70 HEIBRN CS(=O)(=O)N(CC(=O)NCc1nc(-c2cccs2)no1)c1ccc(F)cc1 ZINC000218265607 568477097 /nfs/dbraw/zinc/47/70/97/568477097.db2.gz DKYMVQSEAKXZCD-UHFFFAOYSA-N 0 0 410.452 2.020 40 70 HEIBRN CC(C)Oc1ccc(CCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000218326662 568478460 /nfs/dbraw/zinc/47/84/60/568478460.db2.gz HNJQYUDCDZSVNL-UHFFFAOYSA-N 0 0 416.499 2.367 40 70 HEIBRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000218401072 568479678 /nfs/dbraw/zinc/47/96/78/568479678.db2.gz NGMMZPFFXOGSQI-UHFFFAOYSA-N 0 0 408.432 2.114 40 70 HEIBRN COc1ccc(CCNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1OC ZINC000218447802 568480461 /nfs/dbraw/zinc/48/04/61/568480461.db2.gz CNSFIQYUBPAOIF-AWEZNQCLSA-N 0 0 424.494 2.356 40 70 HEIBRN COc1cccc(-c2noc(CNC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)n2)c1 ZINC000218589906 568482123 /nfs/dbraw/zinc/48/21/23/568482123.db2.gz YVLGJGMLSOUWFG-UHFFFAOYSA-N 0 0 416.459 2.355 40 70 HEIBRN COc1cccc(-c2noc(CNC(=O)c3ccc(NS(C)(=O)=O)c(C)c3)n2)c1 ZINC000218599420 568482285 /nfs/dbraw/zinc/48/22/85/568482285.db2.gz XMGFRUFVPYKTOT-UHFFFAOYSA-N 0 0 416.459 2.355 40 70 HEIBRN Cc1ccccc1N(CC(=O)NCc1nc(-c2ccccc2)no1)S(C)(=O)=O ZINC000218228603 568476636 /nfs/dbraw/zinc/47/66/36/568476636.db2.gz SWLPWLZQVVSIBQ-UHFFFAOYSA-N 0 0 400.460 2.127 40 70 HEIBRN CC[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000218344336 568478889 /nfs/dbraw/zinc/47/88/89/568478889.db2.gz JVCRCXPCQPPAKJ-KRWDZBQOSA-N 0 0 424.544 2.367 40 70 HEIBRN Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000218767614 568483441 /nfs/dbraw/zinc/48/34/41/568483441.db2.gz ZCNUDEOFAYFHRS-MRXNPFEDSA-N 0 0 423.510 2.331 40 70 HEIBRN CCN(c1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1)S(C)(=O)=O ZINC000218777047 568483501 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