smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1cccc(F)c1NC(=S)NCc1ccc(Cl)cc1 ZINC000225304972 201693580 /nfs/dbraw/zinc/69/35/80/201693580.db2.gz GTLURMVRHXWRRA-UHFFFAOYSA-N 0 0 312.772 4.105 40 0 DIABRN CC(C)CCNC(=S)Nc1ccc(OC2CCCC2)cc1 ZINC000225380941 201698237 /nfs/dbraw/zinc/69/82/37/201698237.db2.gz CHHDQXWGSLMBKC-UHFFFAOYSA-N 0 0 306.475 4.341 40 0 DIABRN O[C@@H](c1ccc(Cl)c(F)c1)c1ccccc1Br ZINC000095730061 185383395 /nfs/dbraw/zinc/38/33/95/185383395.db2.gz PEDMLGKCJFWVSF-ZDUSSCGKSA-N 0 0 315.569 4.323 40 0 DIABRN O[C@@H](c1cc(F)cc(Cl)c1)c1ccccc1Br ZINC000095730056 185383530 /nfs/dbraw/zinc/38/35/30/185383530.db2.gz RILBPESELJVUDJ-ZDUSSCGKSA-N 0 0 315.569 4.323 40 0 DIABRN Cc1cc([C@@H](O)c2cccc(Br)c2)ccc1Cl ZINC000095730205 185383585 /nfs/dbraw/zinc/38/35/85/185383585.db2.gz DHZXBQNYWFEYKE-AWEZNQCLSA-N 0 0 311.606 4.493 40 0 DIABRN Cc1c(Cl)cccc1[C@H](O)c1ccc(Br)cc1 ZINC000095730348 185383687 /nfs/dbraw/zinc/38/36/87/185383687.db2.gz WLXWPWFPHYIIRT-CQSZACIVSA-N 0 0 311.606 4.493 40 0 DIABRN O[C@@H](c1cccc(Br)c1)c1ccc(Cl)c(F)c1 ZINC000095730189 185383692 /nfs/dbraw/zinc/38/36/92/185383692.db2.gz IQHUYMJGLPNXDY-ZDUSSCGKSA-N 0 0 315.569 4.323 40 0 DIABRN COc1c(C)cc([C@H](O)c2ccc(Br)cc2)cc1C ZINC000095730320 185383729 /nfs/dbraw/zinc/38/37/29/185383729.db2.gz PHHUFPSJCYUOJV-OAHLLOKOSA-N 0 0 321.214 4.156 40 0 DIABRN C[C@@H]1Cc2ccccc2N1C(=O)C1(c2ccccc2)CCCC1 ZINC000096656534 185385154 /nfs/dbraw/zinc/38/51/54/185385154.db2.gz ANYBTPGWEVZQQA-MRXNPFEDSA-N 0 0 305.421 4.476 40 0 DIABRN CC(C)OC(=O)c1ccc(Nc2cccc(Cl)c2)c(N)c1 ZINC000225423350 201705680 /nfs/dbraw/zinc/70/56/80/201705680.db2.gz QTYKLYFWRCZFDC-UHFFFAOYSA-N 0 0 304.777 4.231 40 0 DIABRN Cc1ccnc(SC[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1 ZINC000079440808 185171828 /nfs/dbraw/zinc/17/18/28/185171828.db2.gz UYKZTQKWIKXDMV-AWEZNQCLSA-N 0 0 322.474 4.272 40 0 DIABRN CC(C)OC(=O)c1ccc(Nc2ccccc2Cl)c(N)c1 ZINC000225422914 201706893 /nfs/dbraw/zinc/70/68/93/201706893.db2.gz ISGVWZLFZBGQQM-UHFFFAOYSA-N 0 0 304.777 4.231 40 0 DIABRN COc1ccccc1CNc1cc(Cl)nc(C(C)(C)C)n1 ZINC000082509740 185189474 /nfs/dbraw/zinc/18/94/74/185189474.db2.gz NYKMRWOOUFIIAC-UHFFFAOYSA-N 0 0 305.809 4.048 40 0 DIABRN FC(F)(F)Oc1ccc(-c2cncc(Br)c2)cc1 ZINC000090411259 185294802 /nfs/dbraw/zinc/29/48/02/185294802.db2.gz OBQUHFSJOHITLV-UHFFFAOYSA-N 0 0 318.092 4.410 40 0 DIABRN CCCOC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1 ZINC000225470102 201713995 /nfs/dbraw/zinc/71/39/95/201713995.db2.gz KBVGLWOFKCPRHB-UHFFFAOYSA-N 0 0 304.777 4.233 40 0 DIABRN CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C)c1 ZINC000225735624 201740450 /nfs/dbraw/zinc/74/04/50/201740450.db2.gz YCWZWQGLXYVIEL-SFHVURJKSA-N 0 0 307.434 4.174 40 0 DIABRN Cc1ccc(-c2nnsc2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000225773590 201744933 /nfs/dbraw/zinc/74/49/33/201744933.db2.gz HHZURURXQVOSMR-UHFFFAOYSA-N 0 0 323.421 4.383 40 0 DIABRN COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C)n1 ZINC000225865242 201757284 /nfs/dbraw/zinc/75/72/84/201757284.db2.gz OWCUZZIDLWOWES-UHFFFAOYSA-N 0 0 324.424 4.239 40 0 DIABRN Cc1cccc(CSCCNC(=O)c2cc(C)ccc2C)c1 ZINC000225878328 201758982 /nfs/dbraw/zinc/75/89/82/201758982.db2.gz JYHHFZDIQNSCDM-UHFFFAOYSA-N 0 0 313.466 4.275 40 0 DIABRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)nc1 ZINC000225897378 201761062 /nfs/dbraw/zinc/76/10/62/201761062.db2.gz FHTJUDOKRQCSKJ-SFHVURJKSA-N 0 0 322.449 4.184 40 0 DIABRN Nc1ccc2oc(/C=C/c3ccc(Br)cc3)nc2c1 ZINC000226249882 201769970 /nfs/dbraw/zinc/76/99/70/201769970.db2.gz JKHIZJWXFIGVKP-FPYGCLRLSA-N 0 0 315.170 4.343 40 0 DIABRN Cc1ccccc1C(=O)Nc1ccc(N2CCCC[C@@H]2C)c(N)c1 ZINC000226265701 201770589 /nfs/dbraw/zinc/77/05/89/201770589.db2.gz JWSYMEIQQDGQMK-HNNXBMFYSA-N 0 0 323.440 4.208 40 0 DIABRN CCCCOc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1 ZINC000226273499 201771147 /nfs/dbraw/zinc/77/11/47/201771147.db2.gz DSOJBVWJJIYLBM-CQSZACIVSA-N 0 0 313.397 4.171 40 0 DIABRN Cc1cc(NC(=O)c2cccc(Cl)c2)cc2sc(N)nc21 ZINC000226310423 201775560 /nfs/dbraw/zinc/77/55/60/201775560.db2.gz ZIGIBJOZVIIYQD-UHFFFAOYSA-N 0 0 317.801 4.093 40 0 DIABRN Cc1c(N)cccc1-c1ccc(C(=O)N2CCc3ccccc32)o1 ZINC000226304363 201773680 /nfs/dbraw/zinc/77/36/80/201773680.db2.gz AHJJBHWNLBZUBQ-UHFFFAOYSA-N 0 0 318.376 4.040 40 0 DIABRN Cc1c(N)cccc1-c1ccc(C(=O)N(C)C2CCCCC2)o1 ZINC000226303690 201774177 /nfs/dbraw/zinc/77/41/77/201774177.db2.gz HPHNTCMLLKGMEN-UHFFFAOYSA-N 0 0 312.413 4.242 40 0 DIABRN Cc1ccc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1Cl ZINC000226347136 201776047 /nfs/dbraw/zinc/77/60/47/201776047.db2.gz UISNAXNVXABCPA-UHFFFAOYSA-N 0 0 309.196 4.445 40 0 DIABRN CC(C)OC(=O)c1cc(N)c(NC2CCCCC2)c(Cl)c1 ZINC000070462648 190899865 /nfs/dbraw/zinc/89/98/65/190899865.db2.gz LKPVJIQAXOMATB-UHFFFAOYSA-N 0 0 310.825 4.232 40 0 DIABRN CC(C)(C)c1ccc(-c2nc3ccc(-n4cnnc4)cc3o2)cc1 ZINC000070461298 190898956 /nfs/dbraw/zinc/89/89/56/190898956.db2.gz OPRPEVQNIPYAMY-UHFFFAOYSA-N 0 0 318.380 4.373 40 0 DIABRN Cc1ccc([C@H](C)NC(=O)Cc2ccccc2Cl)c(C)c1 ZINC000139047394 186019334 /nfs/dbraw/zinc/01/93/34/186019334.db2.gz MKYZBUOJRJEABT-AWEZNQCLSA-N 0 0 301.817 4.377 40 0 DIABRN CC(C)(C)OC(=O)Nc1nccc2c(Br)cccc12 ZINC000072206995 191077722 /nfs/dbraw/zinc/07/77/22/191077722.db2.gz FHCBXPNADZQNPW-UHFFFAOYSA-N 0 0 323.190 4.344 40 0 DIABRN Nc1ncc(-c2cn(-c3ccccc3)nc2-c2ccccc2)s1 ZINC000072238821 191081336 /nfs/dbraw/zinc/08/13/36/191081336.db2.gz DUTACLGYIJDTFC-UHFFFAOYSA-N 0 0 318.405 4.245 40 0 DIABRN CC[C@H](C)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000225589304 186280600 /nfs/dbraw/zinc/28/06/00/186280600.db2.gz ITLVZDRCJPVFPV-QMMMGPOBSA-N 0 0 310.608 4.173 40 0 DIABRN CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C ZINC000225590825 186280783 /nfs/dbraw/zinc/28/07/83/186280783.db2.gz PVSCSQABTIRAOQ-UHFFFAOYSA-N 0 0 310.608 4.093 40 0 DIABRN Cc1cccc(NC(=S)NCCCSC2CCCCC2)n1 ZINC000225592124 186281010 /nfs/dbraw/zinc/28/10/10/186281010.db2.gz REJQJPKRBVKSQL-UHFFFAOYSA-N 0 0 323.531 4.132 40 0 DIABRN CC[C@H](C)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C ZINC000225590990 186281091 /nfs/dbraw/zinc/28/10/91/186281091.db2.gz DAAMYBVTMKVDFK-VIFPVBQESA-N 0 0 324.635 4.481 40 0 DIABRN CCCCOc1c(C)cc(NC(=O)[C@](C)(CC)OC)cc1C ZINC000225604321 186282060 /nfs/dbraw/zinc/28/20/60/186282060.db2.gz DTZQAUIPUUPZQR-SFHVURJKSA-N 0 0 307.434 4.236 40 0 DIABRN CCCCOc1c(C)cc(NC(=O)[C@@](C)(CC)OC)cc1C ZINC000225604291 186282424 /nfs/dbraw/zinc/28/24/24/186282424.db2.gz DTZQAUIPUUPZQR-GOSISDBHSA-N 0 0 307.434 4.236 40 0 DIABRN CC[C@@](C)(OC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 ZINC000225604504 186282464 /nfs/dbraw/zinc/28/24/64/186282464.db2.gz ZPCNXPAUCUZMLN-GOSISDBHSA-N 0 0 307.434 4.092 40 0 DIABRN CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000225605684 186282646 /nfs/dbraw/zinc/28/26/46/186282646.db2.gz PQQHSSPCBLGMLK-LJQANCHMSA-N 0 0 319.445 4.398 40 0 DIABRN CC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCCC2)cc1C ZINC000225626852 186284279 /nfs/dbraw/zinc/28/42/79/186284279.db2.gz VNGLSOCBESHZBS-CQSZACIVSA-N 0 0 305.418 4.070 40 0 DIABRN CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(C)c1 ZINC000225623845 186284337 /nfs/dbraw/zinc/28/43/37/186284337.db2.gz ZPMZRAKZMXHEGN-SFHVURJKSA-N 0 0 307.434 4.318 40 0 DIABRN COC1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCCC1 ZINC000225627304 186284533 /nfs/dbraw/zinc/28/45/33/186284533.db2.gz CTRMDBGRHBKEPJ-UHFFFAOYSA-N 0 0 319.445 4.236 40 0 DIABRN CCC(C)(C)NC(=S)Nc1ccc(Br)c(C)c1 ZINC000225644230 186286139 /nfs/dbraw/zinc/28/61/39/186286139.db2.gz VHELTRVCTUPHAW-UHFFFAOYSA-N 0 0 315.280 4.233 40 0 DIABRN CCOC(=O)c1ccc(NC(=O)c2cc(C)c(C)cc2C)cc1 ZINC000225639067 186286323 /nfs/dbraw/zinc/28/63/23/186286323.db2.gz KLVOZRAVVYWQLS-UHFFFAOYSA-N 0 0 311.381 4.041 40 0 DIABRN Cc1ccc(C)c(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000225647021 186286545 /nfs/dbraw/zinc/28/65/45/186286545.db2.gz FFPGZHKTPGHTBM-QGZVFWFLSA-N 0 0 309.409 4.336 40 0 DIABRN Cc1cc(C)c(C(=O)N[C@H](C)COc2ccccc2C)cc1C ZINC000225649877 186286644 /nfs/dbraw/zinc/28/66/44/186286644.db2.gz RVMMBVDPHJINAL-QGZVFWFLSA-N 0 0 311.425 4.118 40 0 DIABRN CCCCOc1ccc(NC(=O)[C@@](C)(CC)OCC)cc1C ZINC000225651697 186286735 /nfs/dbraw/zinc/28/67/35/186286735.db2.gz MZDPQVTXBWKDKT-GOSISDBHSA-N 0 0 307.434 4.318 40 0 DIABRN CCCCOc1c(C)cc(NC(=O)[C@](C)(OC)C2CC2)cc1C ZINC000225645822 186286767 /nfs/dbraw/zinc/28/67/67/186286767.db2.gz DSLSZIFGGVUYSM-LJQANCHMSA-N 0 0 319.445 4.236 40 0 DIABRN CCCCOc1ccc(NC(=O)[C@](C)(CC)OCC)cc1C ZINC000225651722 186286784 /nfs/dbraw/zinc/28/67/84/186286784.db2.gz MZDPQVTXBWKDKT-SFHVURJKSA-N 0 0 307.434 4.318 40 0 DIABRN Cc1cc(C)c(C(=O)NCc2cccc(OC(C)C)c2)cc1C ZINC000225648698 186286827 /nfs/dbraw/zinc/28/68/27/186286827.db2.gz XTYFUGVZDLQKFQ-UHFFFAOYSA-N 0 0 311.425 4.329 40 0 DIABRN CCOC(=O)c1cccc(NC(=O)c2cc(C)c(C)cc2C)c1 ZINC000225645550 186286870 /nfs/dbraw/zinc/28/68/70/186286870.db2.gz ZQQSGZRGQLRRSZ-UHFFFAOYSA-N 0 0 311.381 4.041 40 0 DIABRN CCCOC1(C(=O)Nc2ccc(OC(C)C)cc2)CCCC1 ZINC000225654163 186287149 /nfs/dbraw/zinc/28/71/49/186287149.db2.gz VFNJADWHTBYGLS-UHFFFAOYSA-N 0 0 305.418 4.152 40 0 DIABRN CCCOC1(C(=O)Nc2ccc(OCC)c(C)c2)CCCC1 ZINC000225655457 186287311 /nfs/dbraw/zinc/28/73/11/186287311.db2.gz RAQNNIDULCDKFT-UHFFFAOYSA-N 0 0 305.418 4.072 40 0 DIABRN COc1cc(C)c(C(=O)NCc2ccc(C)cc2)cc1C(C)C ZINC000225656924 186287317 /nfs/dbraw/zinc/28/73/17/186287317.db2.gz YMVIZSAHOMZVQG-UHFFFAOYSA-N 0 0 311.425 4.365 40 0 DIABRN Cc1cc(C)c(C(=O)Nc2nnc(SC(C)C)s2)cc1C ZINC000225653390 186287363 /nfs/dbraw/zinc/28/73/63/186287363.db2.gz IWUQAFPTKGMYHC-UHFFFAOYSA-N 0 0 321.471 4.216 40 0 DIABRN CCCO[C@]1(C(=O)Nc2ccc(OCC)cc2)CCC[C@H](C)C1 ZINC000225660839 186287771 /nfs/dbraw/zinc/28/77/71/186287771.db2.gz ZJRJIFOYRZDYSV-HNAYVOBHSA-N 0 0 319.445 4.399 40 0 DIABRN CCCO[C@](C)(C(=O)Nc1ccc(OCC(C)C)cc1)C1CC1 ZINC000225671011 186288156 /nfs/dbraw/zinc/28/81/56/186288156.db2.gz SEZLRFXFWWXEKC-IBGZPJMESA-N 0 0 319.445 4.255 40 0 DIABRN O=C(N[C@H]1CC2(CCCCC2)Oc2ccccc21)c1ccccn1 ZINC000072346615 191127494 /nfs/dbraw/zinc/12/74/94/191127494.db2.gz MKNOIXQDWTUTRO-KRWDZBQOSA-N 0 0 322.408 4.038 40 0 DIABRN C[C@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccccc1 ZINC000072346750 191127224 /nfs/dbraw/zinc/12/72/24/191127224.db2.gz FVSYTONOTZBKMN-KBXCAEBGSA-N 0 0 319.408 4.030 40 0 DIABRN CC(=O)N1CCC[C@H](c2cc(Cc3cccc(C)c3)cc(C)n2)C1 ZINC000072353795 191128576 /nfs/dbraw/zinc/12/85/76/191128576.db2.gz ZNLNPEVBSHKHTI-FQEVSTJZSA-N 0 0 322.452 4.015 40 0 DIABRN CC(=O)CCn1c2ccccc2nc1SC1CCCCC1 ZINC000000029059 180671112 /nfs/dbraw/zinc/67/11/12/180671112.db2.gz DUYBMGRSCGNTMU-UHFFFAOYSA-N 0 0 302.443 4.440 40 0 DIABRN CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)O2)cc1 ZINC000000061771 180680829 /nfs/dbraw/zinc/68/08/29/180680829.db2.gz DBQOMKVZOGDJOW-SFQUDFHCSA-N 0 0 323.367 4.468 40 0 DIABRN CC(C)CNC(=O)c1ccc(COc2ccc(C(C)C)cc2)o1 ZINC000000115609 180697699 /nfs/dbraw/zinc/69/76/99/180697699.db2.gz ACWCXGWKRPZWHM-UHFFFAOYSA-N 0 0 315.413 4.368 40 0 DIABRN C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000000141691 180705946 /nfs/dbraw/zinc/70/59/46/180705946.db2.gz AOGDFFIVTULNIA-WMLDXEAASA-N 0 0 303.446 4.058 40 0 DIABRN O=c1oc2ccc(Cl)cc2cc1-c1nc2c(s1)CCCC2 ZINC000000379076 180770955 /nfs/dbraw/zinc/77/09/55/180770955.db2.gz JEDBYJJICXKGRH-UHFFFAOYSA-N 0 0 317.797 4.449 40 0 DIABRN CCn1c(Cc2ccccc2)nnc1SCc1ccccc1 ZINC000000422424 180784645 /nfs/dbraw/zinc/78/46/45/180784645.db2.gz JPNUVOHSPHSBRO-UHFFFAOYSA-N 0 0 309.438 4.181 40 0 DIABRN Fc1ccc(NCc2nnc(SCc3ccccc3)o2)cc1 ZINC000000422087 180784739 /nfs/dbraw/zinc/78/47/39/180784739.db2.gz OKPNHYNEUBRRCA-UHFFFAOYSA-N 0 0 315.373 4.113 40 0 DIABRN COc1ccc(/C=C/C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000000525937 180812760 /nfs/dbraw/zinc/81/27/60/180812760.db2.gz YUNPEDDTJNLGFQ-ISGQZDKISA-N 0 0 313.441 4.136 40 0 DIABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000000579743 180825659 /nfs/dbraw/zinc/82/56/59/180825659.db2.gz FEJBQYHIZUJTOG-SNVBAGLBSA-N 0 0 310.180 4.399 40 0 DIABRN Cc1nc2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2s1 ZINC000000780564 180832992 /nfs/dbraw/zinc/83/29/92/180832992.db2.gz XPEQBTRLWGLTCH-LLVKDONJSA-N 0 0 308.406 4.196 40 0 DIABRN 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315.413 4.176 40 0 DIABRN Cc1ccc(C)c(NC(=S)NCCCOC2CCCCC2)c1 ZINC000007011111 563335812 /nfs/dbraw/zinc/33/58/12/563335812.db2.gz DXMWCEPKSNEFMV-UHFFFAOYSA-N 0 0 320.502 4.329 40 0 DIABRN CC[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc(OC)cc1 ZINC000007037373 563335894 /nfs/dbraw/zinc/33/58/94/563335894.db2.gz TYQJPWDLIWZBEI-MRXNPFEDSA-N 0 0 309.365 4.323 40 0 DIABRN Cc1cc(C)cc(NC(=S)NCCCOC2CCCCC2)c1 ZINC000007011133 563335937 /nfs/dbraw/zinc/33/59/37/563335937.db2.gz AUJMXKKECOKLQF-UHFFFAOYSA-N 0 0 320.502 4.329 40 0 DIABRN Cc1cccc(OCC(=O)N[C@H](CC(C)C)c2ccccc2)c1 ZINC000007037022 563336005 /nfs/dbraw/zinc/33/60/05/563336005.db2.gz PXLVBXKONFFVQB-LJQANCHMSA-N 0 0 311.425 4.277 40 0 DIABRN CC[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(OC)cc1 ZINC000007037296 563336016 /nfs/dbraw/zinc/33/60/16/563336016.db2.gz UKDOSUQHWVKQBK-INIZCTEOSA-N 0 0 303.789 4.230 40 0 DIABRN COc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2)cc1 ZINC000006966390 563336085 /nfs/dbraw/zinc/33/60/85/563336085.db2.gz USAMZPZVDJXLHV-CYBMUJFWSA-N 0 0 300.427 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O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000011566297 563358304 /nfs/dbraw/zinc/35/83/04/563358304.db2.gz DRJPBGGCOIZUGK-QZTJIDSGSA-N 0 0 305.377 4.033 40 0 DIABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC)cc1 ZINC000011637143 563358445 /nfs/dbraw/zinc/35/84/45/563358445.db2.gz WZQWXFHWIMNYAD-SFHVURJKSA-N 0 0 313.397 4.108 40 0 DIABRN CCn1c(C)cc2cc(NC(=O)CCCc3ccncc3)ccc21 ZINC000012148371 563363265 /nfs/dbraw/zinc/36/32/65/563363265.db2.gz PHRPLFXOGUZKLD-UHFFFAOYSA-N 0 0 321.424 4.326 40 0 DIABRN CCc1nc(NC(=O)c2cc(C3CCCCC3)no2)sc1C ZINC000012198572 563364005 /nfs/dbraw/zinc/36/40/05/563364005.db2.gz IDGMMLMIIPWKLW-UHFFFAOYSA-N 0 0 319.430 4.302 40 0 DIABRN Cc1cc(C)c2nc3c(cc2c1)CN(Cc1cccs1)C(=O)O3 ZINC000012222971 563364902 /nfs/dbraw/zinc/36/49/02/563364902.db2.gz CDHWIPLQQWGDEW-UHFFFAOYSA-N 0 0 324.405 4.428 40 0 DIABRN CCn1cc(C(=O)c2ccc(F)cc2)c2ccnc(Cl)c21 ZINC000012235803 563364959 /nfs/dbraw/zinc/36/49/59/563364959.db2.gz LYZGFCUYUCVTTN-UHFFFAOYSA-N 0 0 302.736 4.080 40 0 DIABRN O=C(NCCCc1ccc(Cl)cc1)c1ccccc1Cl ZINC000013648711 563384464 /nfs/dbraw/zinc/38/44/64/563384464.db2.gz LDYKEQWRHBWUDV-UHFFFAOYSA-N 0 0 308.208 4.356 40 0 DIABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC[C@@H](C)C1 ZINC000013670335 563384666 /nfs/dbraw/zinc/38/46/66/563384666.db2.gz PIWBJWCOJMBPNB-HUUCEWRRSA-N 0 0 303.446 4.010 40 0 DIABRN CCc1ccc(CCC(=O)NCCCc2ccc(C)cc2)cc1 ZINC000013670015 563385033 /nfs/dbraw/zinc/38/50/33/563385033.db2.gz SRXXNODOCKTFEZ-UHFFFAOYSA-N 0 0 309.453 4.239 40 0 DIABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000013672216 563385528 /nfs/dbraw/zinc/38/55/28/563385528.db2.gz IYTLELRXYMHDBI-UHFFFAOYSA-N 0 0 317.772 4.077 40 0 DIABRN COc1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 ZINC000013689081 563386036 /nfs/dbraw/zinc/38/60/36/563386036.db2.gz KFNJBDQZKJVAGN-AWEZNQCLSA-N 0 0 321.376 4.254 40 0 DIABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2ccccc21 ZINC000013708789 563386096 /nfs/dbraw/zinc/38/60/96/563386096.db2.gz BJMXSPSLMFQTAR-HNNXBMFYSA-N 0 0 317.388 4.196 40 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COc1ccc([C@H](C)NC(=S)Nc2cc(C)cc(C)c2)cc1 ZINC000013932679 563392537 /nfs/dbraw/zinc/39/25/37/563392537.db2.gz JNQFMPWCQASYPV-AWEZNQCLSA-N 0 0 314.454 4.360 40 0 DIABRN COc1ccc([C@H](C)NC(=S)Nc2ccccc2Cl)cc1 ZINC000013932631 563392645 /nfs/dbraw/zinc/39/26/45/563392645.db2.gz RPKYURIYWGMZMY-NSHDSACASA-N 0 0 320.845 4.396 40 0 DIABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000014022327 563394661 /nfs/dbraw/zinc/39/46/61/563394661.db2.gz XYTCQTJFUHLBRV-MRXNPFEDSA-N 0 0 303.789 4.445 40 0 DIABRN CCc1ccccc1NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000014049913 563394877 /nfs/dbraw/zinc/39/48/77/563394877.db2.gz HNDGCBUOPJILFK-UHFFFAOYSA-N 0 0 320.392 4.475 40 0 DIABRN COc1ccc(/C=C/C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 ZINC000014573620 563401165 /nfs/dbraw/zinc/40/11/65/563401165.db2.gz OEANCRZEYYHTCN-ONOODXEBSA-N 0 0 309.409 4.203 40 0 DIABRN CCc1ccc(OCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000014573769 563401693 /nfs/dbraw/zinc/40/16/93/563401693.db2.gz PKBLINZCCLYQKE-INIZCTEOSA-N 0 0 311.425 4.122 40 0 DIABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCC1CCCCC1 ZINC000014738625 563402972 /nfs/dbraw/zinc/40/29/72/563402972.db2.gz PMXSBDJUZRGSRK-OAHLLOKOSA-N 0 0 311.425 4.304 40 0 DIABRN CCc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000014835443 563403600 /nfs/dbraw/zinc/40/36/00/563403600.db2.gz ZINZJPAZOSTSBI-UHFFFAOYSA-N 0 0 323.314 4.285 40 0 DIABRN O=C1Nc2ccccc2[C@H]1Cc1ccc(-c2ccccc2F)o1 ZINC000015017272 563405367 /nfs/dbraw/zinc/40/53/67/563405367.db2.gz GNENLSRKVGCLRL-OAHLLOKOSA-N 0 0 307.324 4.364 40 0 DIABRN Clc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccncc1)N2 ZINC000015017251 563405379 /nfs/dbraw/zinc/40/53/79/563405379.db2.gz KTGJBUAOSMOWHW-JQFCIGGWSA-N 0 0 300.789 4.370 40 0 DIABRN CCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1cccs1 ZINC000036619616 563409584 /nfs/dbraw/zinc/40/95/84/563409584.db2.gz YUPXNFMBYVLWII-KRWDZBQOSA-N 0 0 323.421 4.093 40 0 DIABRN Cc1ccccc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 ZINC000020137431 563416748 /nfs/dbraw/zinc/41/67/48/563416748.db2.gz IFPYBTPFGGEVFS-UHFFFAOYSA-N 0 0 321.376 4.308 40 0 DIABRN CC[C@H](C)NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020487853 563416839 /nfs/dbraw/zinc/41/68/39/563416839.db2.gz KHAARCRTSNORLU-INIZCTEOSA-N 0 0 322.452 4.168 40 0 DIABRN CC1CCN(c2nc3c(c(-c4ccccc4)n2)CCCC3)CC1 ZINC000020798137 563417426 /nfs/dbraw/zinc/41/74/26/563417426.db2.gz ORAXPIQJFZFJNY-UHFFFAOYSA-N 0 0 307.441 4.259 40 0 DIABRN C[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000023954770 563420288 /nfs/dbraw/zinc/42/02/88/563420288.db2.gz CTKVQCOIVDSSET-JKSUJKDBSA-N 0 0 323.436 4.210 40 0 DIABRN O=C(C[C@@H]1OC(=O)C(Cl)=C1Cl)c1ccc2ccccc2c1 ZINC000026329935 563424872 /nfs/dbraw/zinc/42/48/72/563424872.db2.gz KYLYVKJDKZAHSY-ZDUSSCGKSA-N 0 0 321.159 4.027 40 0 DIABRN CC[C@@H](NC(=O)CCc1ccc(OC)cc1)c1ccc(C)cc1 ZINC000026203720 563425169 /nfs/dbraw/zinc/42/51/69/563425169.db2.gz UKGNTVUNEPYTOC-LJQANCHMSA-N 0 0 311.425 4.204 40 0 DIABRN C[C@@H](Sc1ccccc1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000026501701 563426019 /nfs/dbraw/zinc/42/60/19/563426019.db2.gz 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563463744 /nfs/dbraw/zinc/46/37/44/563463744.db2.gz UNMNSPTZKKQKRV-JKSUJKDBSA-N 0 0 311.425 4.202 40 0 DIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC)cc1 ZINC000044950124 563464444 /nfs/dbraw/zinc/46/44/44/563464444.db2.gz BKHAVMYUHCLYMN-SFHVURJKSA-N 0 0 313.397 4.108 40 0 DIABRN CCSc1ccccc1NC(=O)COc1ccc(C)cc1 ZINC000055703545 563477380 /nfs/dbraw/zinc/47/73/80/563477380.db2.gz OPQRHVQCZMLOOD-UHFFFAOYSA-N 0 0 301.411 4.125 40 0 DIABRN CC(C)(C)OC(=O)NC(C)(C)c1ccccc1Br ZINC000067802723 563491313 /nfs/dbraw/zinc/49/13/13/563491313.db2.gz BJONNZPKPGMVOY-UHFFFAOYSA-N 0 0 314.223 4.209 40 0 DIABRN S=C1N[C@@H](c2ccccn2)C2(CCCCC2)N1c1ccccc1 ZINC000068561901 563495044 /nfs/dbraw/zinc/49/50/44/563495044.db2.gz GHJVNUKXHNUMAA-KRWDZBQOSA-N 0 0 323.465 4.220 40 0 DIABRN COc1ccc(-c2cc(-c3cccc(Cl)c3)nc(N)n2)cc1 ZINC000071977368 563501286 /nfs/dbraw/zinc/50/12/86/563501286.db2.gz NSOBVDRFKAYXCI-UHFFFAOYSA-N 0 0 311.772 4.055 40 0 DIABRN COc1ccccc1-c1cc(-c2ccc(C)c(C)c2)nc(N)n1 ZINC000071978310 563501871 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CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000113959529 563585789 /nfs/dbraw/zinc/58/57/89/563585789.db2.gz XGBWFRVMRHVFCO-WOJBJXKFSA-N 0 0 323.436 4.346 40 0 DIABRN Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000113959492 563585842 /nfs/dbraw/zinc/58/58/42/563585842.db2.gz DNHGSMMDDRYRHD-UZLBHIALSA-N 0 0 323.436 4.265 40 0 DIABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000113959639 563585855 /nfs/dbraw/zinc/58/58/55/563585855.db2.gz AXHRAZPFOAPVEU-QFBILLFUSA-N 0 0 311.425 4.338 40 0 DIABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000113959644 563585861 /nfs/dbraw/zinc/58/58/61/563585861.db2.gz AXHRAZPFOAPVEU-VQIMIIECSA-N 0 0 311.425 4.338 40 0 DIABRN CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000113959637 563585874 /nfs/dbraw/zinc/58/58/74/563585874.db2.gz AXHRAZPFOAPVEU-LPHOPBHVSA-N 0 0 311.425 4.338 40 0 DIABRN CCSc1ccccc1C(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000113958331 563585892 /nfs/dbraw/zinc/58/58/92/563585892.db2.gz 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COc1c(C)cc([C@@H](O)c2cccc(Br)c2)cc1C ZINC000095730216 185383604 /nfs/dbraw/zinc/38/36/04/185383604.db2.gz UVMAVRJJRWDGRS-HNNXBMFYSA-N 0 0 321.214 4.156 40 0 DIABRN Cc1ccc([C@H](O)c2cccc(Br)c2)cc1Cl ZINC000095730268 185383628 /nfs/dbraw/zinc/38/36/28/185383628.db2.gz FMJPECWNXVUYBY-CQSZACIVSA-N 0 0 311.606 4.493 40 0 DIABRN Cc1ccc([C@@H](O)c2cccc(Br)c2)cc1Cl ZINC000095730271 185383723 /nfs/dbraw/zinc/38/37/23/185383723.db2.gz FMJPECWNXVUYBY-AWEZNQCLSA-N 0 0 311.606 4.493 40 0 DIABRN Cc1ccc(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000096621552 185384518 /nfs/dbraw/zinc/38/45/18/185384518.db2.gz WMEBHGFBUCCJKK-UHFFFAOYSA-N 0 0 323.314 4.465 40 0 DIABRN Cc1cccc(CCCNC(=O)c2ccc3c(c2)CCCC3)c1 ZINC000096726967 185385825 /nfs/dbraw/zinc/38/58/25/185385825.db2.gz WMNIZVLDDRMQSS-UHFFFAOYSA-N 0 0 307.437 4.236 40 0 DIABRN C[C@@H]1c2ccccc2CCN1c1ccnc(Nc2ccccc2)n1 ZINC000329069423 231433592 /nfs/dbraw/zinc/43/35/92/231433592.db2.gz YXRICEQQYOPNHJ-OAHLLOKOSA-N 0 0 316.408 4.344 40 0 DIABRN 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ZINC000026896209 563426864 /nfs/dbraw/zinc/42/68/64/563426864.db2.gz YOSCBOPVMVWHNF-UHFFFAOYSA-N 0 0 320.436 4.256 40 0 DIABRN CC[C@@]1(O)CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]21C ZINC000027645114 563428492 /nfs/dbraw/zinc/42/84/92/563428492.db2.gz GQHYKMYMSVJXJM-MFKWGIFDSA-N 0 0 300.442 4.389 40 0 in-vitro DIABRN O=C(CSCc1ccc(F)cc1)NCc1ccc(Cl)cc1 ZINC000028653437 563432146 /nfs/dbraw/zinc/43/21/46/563432146.db2.gz OAZKJOGQSVJNMM-UHFFFAOYSA-N 0 0 323.820 4.029 40 0 DIABRN COc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000028579806 563432311 /nfs/dbraw/zinc/43/23/11/563432311.db2.gz BHAIUOFQGYHKGY-LLVKDONJSA-N 0 0 304.777 4.231 40 0 DIABRN COCc1cccc(NC(=O)CSCc2ccc(C)cc2)c1 ZINC000029145097 563433749 /nfs/dbraw/zinc/43/37/49/563433749.db2.gz AVQLYRXZKDMXMU-UHFFFAOYSA-N 0 0 315.438 4.013 40 0 DIABRN O=C(NC1CC1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000029564161 563435300 /nfs/dbraw/zinc/43/53/00/563435300.db2.gz AYTSMWHYUANJDB-UHFFFAOYSA-N 0 0 322.339 4.040 40 0 DIABRN O=C(CCc1ccccc1Cl)N[C@@H]1CCCc2ccccc21 ZINC000029687911 563435523 /nfs/dbraw/zinc/43/55/23/563435523.db2.gz LSBGWGMBNYXGOS-GOSISDBHSA-N 0 0 313.828 4.466 40 0 DIABRN O=C(CCc1ccccc1Cl)NCc1ccc(Cl)cc1 ZINC000029688347 563435560 /nfs/dbraw/zinc/43/55/60/563435560.db2.gz KOJHCNNOVBOCTL-UHFFFAOYSA-N 0 0 308.208 4.242 40 0 DIABRN CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000030752508 563438064 /nfs/dbraw/zinc/43/80/64/563438064.db2.gz VRXDHXINVDHNLZ-RTBURBONSA-N 0 0 323.436 4.346 40 0 DIABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 ZINC000030758806 563438076 /nfs/dbraw/zinc/43/80/76/563438076.db2.gz ZXEWUXNCQWQYSV-SJORKVTESA-N 0 0 311.425 4.257 40 0 DIABRN Cc1ccccc1[C@H](NC(=O)Cc1ccccc1)c1ccccc1 ZINC000030755610 563438124 /nfs/dbraw/zinc/43/81/24/563438124.db2.gz OEAHPPJFAHWDIK-JOCHJYFZSA-N 0 0 315.416 4.443 40 0 DIABRN Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000030757971 563438199 /nfs/dbraw/zinc/43/81/99/563438199.db2.gz XMYSRLRDWKTKON-QFBILLFUSA-N 0 0 323.436 4.265 40 0 DIABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccnc1 ZINC000030757352 563438225 /nfs/dbraw/zinc/43/82/25/563438225.db2.gz ZSEJAGGSKSIRGD-CQSZACIVSA-N 0 0 306.818 4.244 40 0 DIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1ccccc1 ZINC000030757989 563438279 /nfs/dbraw/zinc/43/82/79/563438279.db2.gz PMFJNVUXTVWRCS-SFHVURJKSA-N 0 0 311.425 4.119 40 0 DIABRN Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 ZINC000030758809 563438363 /nfs/dbraw/zinc/43/83/63/563438363.db2.gz ZXEWUXNCQWQYSV-IRXDYDNUSA-N 0 0 311.425 4.257 40 0 DIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCCC(C)(C)C1 ZINC000030835491 563438628 /nfs/dbraw/zinc/43/86/28/563438628.db2.gz SIZQBPUXFDHPLX-INIZCTEOSA-N 0 0 303.446 4.109 40 0 DIABRN CCOc1cccc(NC(=O)CSCc2ccc(F)cc2)c1 ZINC000030853789 563438932 /nfs/dbraw/zinc/43/89/32/563438932.db2.gz IAURNXPSXBWWHL-UHFFFAOYSA-N 0 0 319.401 4.096 40 0 DIABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C)cc(C)c1 ZINC000030856059 563439332 /nfs/dbraw/zinc/43/93/32/563439332.db2.gz HWNMMZUGKRLWLJ-KRWDZBQOSA-N 0 0 301.361 4.239 40 0 DIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc(C)cc(C)c1 ZINC000030869458 563439385 /nfs/dbraw/zinc/43/93/85/563439385.db2.gz JNJFBTVNRROLGT-SFHVURJKSA-N 0 0 313.397 4.108 40 0 DIABRN Cc1cc(C)c(C)c(OCC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000030856751 563439445 /nfs/dbraw/zinc/43/94/45/563439445.db2.gz SFCNLEVOCGSTNB-LJQANCHMSA-N 0 0 323.436 4.184 40 0 DIABRN CSc1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000030872345 563439472 /nfs/dbraw/zinc/43/94/72/563439472.db2.gz VDGJAPCKRSTTEE-CQSZACIVSA-N 0 0 315.438 4.431 40 0 DIABRN CCCCOCN(COCCCC)[C@H](C)Cc1ccccc1 ZINC000031760790 563440300 /nfs/dbraw/zinc/44/03/00/563440300.db2.gz IFGOUIMVKGBGOT-GOSISDBHSA-N 0 0 307.478 4.468 40 0 DIABRN Cc1cccc(O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1C ZINC000032476814 563442805 /nfs/dbraw/zinc/44/28/05/563442805.db2.gz ADMICGKWKPTAHJ-QFBILLFUSA-N 0 0 323.436 4.265 40 0 DIABRN C[C@@H](NC(=O)CCc1ccccc1Cl)c1ccc(F)cc1 ZINC000035903281 563453824 /nfs/dbraw/zinc/45/38/24/563453824.db2.gz ZPSMCWBCXWNNIV-GFCCVEGCSA-N 0 0 305.780 4.289 40 0 DIABRN CC[C@H](NC(=O)[C@H](CC)Oc1cccc(C)c1)c1ccccc1 ZINC000036562752 563455451 /nfs/dbraw/zinc/45/54/51/563455451.db2.gz MIXODYIDDGTTOR-OALUTQOASA-N 0 0 311.425 4.420 40 0 DIABRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccc1 ZINC000036562772 563455468 /nfs/dbraw/zinc/45/54/68/563455468.db2.gz NIJCKRUXRABDER-CZUORRHYSA-N 0 0 317.816 4.375 40 0 DIABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1)c1ccccc1 ZINC000036562750 563455472 /nfs/dbraw/zinc/45/54/72/563455472.db2.gz MIXODYIDDGTTOR-RTBURBONSA-N 0 0 311.425 4.420 40 0 DIABRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccccc1 ZINC000036562709 563455492 /nfs/dbraw/zinc/45/54/92/563455492.db2.gz ULMVJVBENWRWSY-GUYCJALGSA-N 0 0 317.816 4.375 40 0 DIABRN Cc1ccc(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 ZINC000036729521 563457203 /nfs/dbraw/zinc/45/72/03/563457203.db2.gz WCSGIEBKCMDPGP-IBGZPJMESA-N 0 0 311.425 4.277 40 0 DIABRN C[C@H]1c2ccsc2CCN1Cc1cc2c(c(Cl)c1)OCO2 ZINC000036741525 563457324 /nfs/dbraw/zinc/45/73/24/563457324.db2.gz XVONTCFAJAALHW-JTQLQIEISA-N 0 0 321.829 4.250 40 0 DIABRN CCOC(=O)c1ccc2nc(-c3ccc(F)cc3)sc2c1 ZINC000073740490 563458621 /nfs/dbraw/zinc/45/86/21/563458621.db2.gz XTDQJDJSVAARFR-UHFFFAOYSA-N 0 0 301.342 4.279 40 0 DIABRN Cc1nc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2n1C ZINC000074978201 563459689 /nfs/dbraw/zinc/45/96/89/563459689.db2.gz SEJLMZMEWVVOJK-UHFFFAOYSA-N 0 0 314.776 4.179 40 0 DIABRN Cc1cccc(O[C@@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)c1 ZINC000044843011 563462289 /nfs/dbraw/zinc/46/22/89/563462289.db2.gz GPAOFWZGRYETNT-AWEZNQCLSA-N 0 0 317.816 4.074 40 0 DIABRN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 ZINC000044843374 563462440 /nfs/dbraw/zinc/46/24/40/563462440.db2.gz BSINZAKPVPORIK-DLBZAZTESA-N 0 0 311.425 4.257 40 0 DIABRN Cc1cccc(O[C@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)c1 ZINC000044843016 563462515 /nfs/dbraw/zinc/46/25/15/563462515.db2.gz GPAOFWZGRYETNT-CQSZACIVSA-N 0 0 317.816 4.074 40 0 DIABRN Cc1ccccc1CNC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000044885092 563462963 /nfs/dbraw/zinc/46/29/63/563462963.db2.gz ASHPEIGUAUVFKF-INIZCTEOSA-N 0 0 311.425 4.202 40 0 DIABRN Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000044885089 563463130 /nfs/dbraw/zinc/46/31/30/563463130.db2.gz ASHPEIGUAUVFKF-MRXNPFEDSA-N 0 0 311.425 4.202 40 0 DIABRN Cc1ccc(CN(C)C(=O)CSc2ccc(Cl)cc2)cc1 ZINC000044880233 563463135 /nfs/dbraw/zinc/46/31/35/563463135.db2.gz PJQAGNLJYOLWOY-UHFFFAOYSA-N 0 0 319.857 4.399 40 0 DIABRN C[C@@H](Sc1ccccc1)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000044843627 563463179 /nfs/dbraw/zinc/46/31/79/563463179.db2.gz BDGVVGBOTIBYFE-CYBMUJFWSA-N 0 0 319.857 4.479 40 0 DIABRN Cc1ccc(C)c(CC(=O)NCCCc2ccc(Cl)cc2)c1 ZINC000044847497 563463215 /nfs/dbraw/zinc/46/32/15/563463215.db2.gz DBDBOVZXHMBRSM-UHFFFAOYSA-N 0 0 315.844 4.248 40 0 DIABRN CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000044900695 563463718 /nfs/dbraw/zinc/46/37/18/563463718.db2.gz UNMNSPTZKKQKRV-CVEARBPZSA-N 0 0 311.425 4.202 40 0 DIABRN Cc1ccc(CCC(=O)NCc2ccc(OC(C)C)cc2)cc1 ZINC000044901904 563463827 /nfs/dbraw/zinc/46/38/27/563463827.db2.gz LURYQORRIWXFQX-UHFFFAOYSA-N 0 0 311.425 4.031 40 0 DIABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000044904681 563464396 /nfs/dbraw/zinc/46/43/96/563464396.db2.gz CNYDOWJECYSALL-WBVHZDCISA-N 0 0 323.436 4.357 40 0 DIABRN CCSc1nc(N)cc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000049467499 563467594 /nfs/dbraw/zinc/46/75/94/563467594.db2.gz KNBULEAMZHEZIE-UHFFFAOYSA-N 0 0 315.229 4.221 40 0 DIABRN Nc1cc(Nc2ccccc2Cl)nc(-c2ccccc2F)n1 ZINC000049467891 563467711 /nfs/dbraw/zinc/46/77/11/563467711.db2.gz WIXUZNFCXSKAFG-UHFFFAOYSA-N 0 0 314.751 4.262 40 0 DIABRN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1cccc(F)c1 ZINC000089212774 563484433 /nfs/dbraw/zinc/48/44/33/563484433.db2.gz TWKSAZCEYVHKQX-OAHLLOKOSA-N 0 0 308.397 4.027 40 0 DIABRN CSc1c2cc(C)ccc2n(C)c1CC(=O)Nc1ccccc1 ZINC000000054939 563499244 /nfs/dbraw/zinc/49/92/44/563499244.db2.gz HDTAEUIKPBTYKS-UHFFFAOYSA-N 0 0 324.449 4.390 40 0 DIABRN Cn1cc(Br)c(-c2ccc(Cl)cc2Cl)n1 ZINC000071605737 563499525 /nfs/dbraw/zinc/49/95/25/563499525.db2.gz PVSGDEHAUPXEFA-UHFFFAOYSA-N 0 0 305.990 4.156 40 0 DIABRN Cc1nc2ccc(C)cn2c1C(=O)Nc1cccc(Cl)c1C ZINC000071459182 563499990 /nfs/dbraw/zinc/49/99/90/563499990.db2.gz IVZBLSNMGMHCFS-UHFFFAOYSA-N 0 0 313.788 4.165 40 0 DIABRN Cc1cc(-c2cnc(NCc3ccccc3F)nc2C2CC2)on1 ZINC000072340353 563503317 /nfs/dbraw/zinc/50/33/17/563503317.db2.gz JWZBIMZSFMKOQB-UHFFFAOYSA-N 0 0 324.359 4.069 40 0 DIABRN CSc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000011232219 563504456 /nfs/dbraw/zinc/50/44/56/563504456.db2.gz CGAPHORSZMURAA-UHFFFAOYSA-N 0 0 301.411 4.043 40 0 DIABRN CC1CC[NH+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CC1 ZINC000257212500 563504794 /nfs/dbraw/zinc/50/47/94/563504794.db2.gz CDSJGQPIENFWRQ-UHFFFAOYSA-N 0 0 309.409 4.284 40 0 DIABRN CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1 ZINC000078457955 563512990 /nfs/dbraw/zinc/51/29/90/563512990.db2.gz MXJNMNGWTNGTBZ-HOTGVXAUSA-N 0 0 311.425 4.202 40 0 DIABRN CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 ZINC000078457958 563513417 /nfs/dbraw/zinc/51/34/17/563513417.db2.gz NZZMMZHGMLGFAA-HZPDHXFCSA-N 0 0 311.425 4.202 40 0 DIABRN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2[C@H](O)CO ZINC000257346094 563514609 /nfs/dbraw/zinc/51/46/09/563514609.db2.gz QUQBOXYLXZAONE-FKGJNOFZSA-N 0 0 320.517 4.389 40 0 DIABRN CC(=O)c1cccc(OC(F)(F)F)c1NC(=O)OC(C)(C)C ZINC000199831508 563515938 /nfs/dbraw/zinc/51/59/38/563515938.db2.gz HLZNIGJJBGIKCM-UHFFFAOYSA-N 0 0 319.279 4.135 40 0 DIABRN FC(F)Oc1ccc(-c2noc(-c3cccnc3Cl)n2)cc1 ZINC000089262772 563524164 /nfs/dbraw/zinc/52/41/64/563524164.db2.gz DGCSHEREVVTYRA-UHFFFAOYSA-N 0 0 323.686 4.053 40 0 DIABRN CCc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1 ZINC000096586331 563537136 /nfs/dbraw/zinc/53/71/36/563537136.db2.gz WZIBQSKKLOEFMX-UHFFFAOYSA-N 0 0 309.409 4.145 40 0 DIABRN Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 ZINC000096586372 563537369 /nfs/dbraw/zinc/53/73/69/563537369.db2.gz IRQQUWFPMDBIJG-HNNXBMFYSA-N 0 0 309.409 4.280 40 0 DIABRN 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4.285 40 0 DIABRN CCN(CC)c1ccc(NC(=O)/C=C/c2ccccc2OC)cc1 ZINC000000149694 563820197 /nfs/dbraw/zinc/82/01/97/563820197.db2.gz MTQTXUYZZLIHHS-XNTDXEJSSA-N 0 0 324.424 4.193 40 0 DIABRN C[C@H]1Cc2ccccc2CN1c1ccnc(NC2CCCCC2)n1 ZINC000329010870 563832574 /nfs/dbraw/zinc/83/25/74/563832574.db2.gz MCWCORSLKCKAAR-HNNXBMFYSA-N 0 0 322.456 4.172 40 0 DIABRN Cc1nc(Cl)cc(Nc2ccccc2N2CCCCC2)n1 ZINC000329004417 563832910 /nfs/dbraw/zinc/83/29/10/563832910.db2.gz KSHMHLLLDZKTFS-UHFFFAOYSA-N 0 0 302.809 4.172 40 0 DIABRN Fc1ccc(-c2nc(Cl)cc(Nc3ccccc3F)n2)cc1 ZINC000329027347 563833983 /nfs/dbraw/zinc/83/39/83/563833983.db2.gz PSBSAVHVXQMRJW-UHFFFAOYSA-N 0 0 317.726 4.241 40 0 DIABRN Cc1cccc(C)c1OCCCCn1c(C=O)nc2ccccc21 ZINC000011735040 563836127 /nfs/dbraw/zinc/83/61/27/563836127.db2.gz SJFHIJJZOHOVPZ-UHFFFAOYSA-N 0 0 322.408 4.325 40 0 DIABRN CCc1ccc(OCC(=O)n2c(C)c(C=O)c3ccccc32)cc1 ZINC000216720338 563851325 /nfs/dbraw/zinc/85/13/25/563851325.db2.gz XCVUHDSCNGLTDT-UHFFFAOYSA-N 0 0 321.376 4.044 40 0 DIABRN c1cnc2nc(-c3ccc(-c4nc5ncccc5o4)cc3)oc2c1 ZINC000216730154 563851387 /nfs/dbraw/zinc/85/13/87/563851387.db2.gz RQBMRJJYVDZBBY-UHFFFAOYSA-N 0 0 314.304 4.093 40 0 DIABRN Cc1cc2[nH]c(-c3ccc(C)c(N)c3)nc2c(Br)c1 ZINC000216918284 563858613 /nfs/dbraw/zinc/85/86/13/563858613.db2.gz NMPXKSNKXLZROK-UHFFFAOYSA-N 0 0 316.202 4.191 40 0 DIABRN COc1cc2[nH]c(-c3cc(N)ccc3Cl)nc2c(Cl)c1 ZINC000216917974 563858652 /nfs/dbraw/zinc/85/86/52/563858652.db2.gz PXJOWLYFHLAXDV-UHFFFAOYSA-N 0 0 308.168 4.128 40 0 DIABRN Oc1ccc(-c2nnc(SCc3ccccc3Cl)o2)cc1 ZINC000000411384 563879051 /nfs/dbraw/zinc/87/90/51/563879051.db2.gz SYQIFIKRAUODHN-UHFFFAOYSA-N 0 0 318.785 4.388 40 0 DIABRN NC1=C(c2nc3ccccc3s2)C(=O)CN1Cc1ccccc1 ZINC000095098718 563887750 /nfs/dbraw/zinc/88/77/50/563887750.db2.gz WSIFCQLTANWIQO-UHFFFAOYSA-N 0 0 321.405 4.101 40 0 DIABRN CCc1ccc2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 ZINC000045887804 563888249 /nfs/dbraw/zinc/88/82/49/563888249.db2.gz LQGUQRUQGDZWLO-UHFFFAOYSA-N 0 0 324.771 4.291 40 0 DIABRN Cc1nnc2sc(-c3cc(Cl)c(Cl)c(Cl)c3)nn12 ZINC000045920139 563888896 /nfs/dbraw/zinc/88/88/96/563888896.db2.gz PQHJSQUFPFLLCN-UHFFFAOYSA-N 0 0 319.604 4.121 40 0 DIABRN CCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC000006657321 563921631 /nfs/dbraw/zinc/92/16/31/563921631.db2.gz YDLWSJPZQLAYKR-IZZDOVSWSA-N 0 0 316.209 4.440 40 0 DIABRN CCCCOc1cccc(C(=O)Nc2ccc([C@H](C)O)cc2)c1 ZINC000226273372 563913533 /nfs/dbraw/zinc/91/35/33/563913533.db2.gz AMOVLUNEEDDOMK-AWEZNQCLSA-N 0 0 313.397 4.171 40 0 DIABRN CCNc1cc2nc(-c3cc(OC)cc(OC)c3)oc2c(C)c1 ZINC000226283636 563913694 /nfs/dbraw/zinc/91/36/94/563913694.db2.gz HZGDHMHEZVAEKQ-UHFFFAOYSA-N 0 0 312.369 4.252 40 0 DIABRN O=C(c1cnc2ccccc2c1)c1ccccc1C(F)(F)F ZINC000045028935 563914056 /nfs/dbraw/zinc/91/40/56/563914056.db2.gz MVVNMDBIOCSAJR-UHFFFAOYSA-N 0 0 301.267 4.485 40 0 DIABRN O=C(c1cccc(Br)c1)c1cnc2ccccc2c1 ZINC000037761565 563914060 /nfs/dbraw/zinc/91/40/60/563914060.db2.gz LSSMKMASGUKFHH-UHFFFAOYSA-N 0 0 312.166 4.228 40 0 DIABRN 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O=C(NCCSCc1ccc(Cl)cc1)c1ccccc1F ZINC000005245580 563921198 /nfs/dbraw/zinc/92/11/98/563921198.db2.gz ZOYMOJFAIACSIF-UHFFFAOYSA-N 0 0 323.820 4.142 40 0 DIABRN CCCOc1ccc(C(=O)Nc2ccccc2Cl)cc1OC ZINC000006274252 563921308 /nfs/dbraw/zinc/92/13/08/563921308.db2.gz MOKKTADODPWDJW-UHFFFAOYSA-N 0 0 319.788 4.390 40 0 DIABRN CCCN1C(=O)S/C(=C/c2ccc(OCC(C)C)cc2)C1=O ZINC000006657181 563921582 /nfs/dbraw/zinc/92/15/82/563921582.db2.gz KXDBQIFKSXMMLO-XNTDXEJSSA-N 0 0 319.426 4.168 40 0 DIABRN CCCCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1OC ZINC000006651648 563921691 /nfs/dbraw/zinc/92/16/91/563921691.db2.gz NLFZPMIMGVDFOJ-FOWTUZBSSA-N 0 0 323.392 4.367 40 0 DIABRN COC(=O)c1cn(CCCOc2ccc(C)cc2)c2ccccc12 ZINC000006966334 563921879 /nfs/dbraw/zinc/92/18/79/563921879.db2.gz CAVBKSZKFQRWOM-UHFFFAOYSA-N 0 0 323.392 4.205 40 0 DIABRN Cc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2)C1=O ZINC000008570758 563922458 /nfs/dbraw/zinc/92/24/58/563922458.db2.gz SJEMVLORRUZFMI-LFIBNONCSA-N 0 0 309.390 4.232 40 0 DIABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 ZINC000008494610 563922502 /nfs/dbraw/zinc/92/25/02/563922502.db2.gz HHZJYDIHHCGXJB-KRWDZBQOSA-N 0 0 317.816 4.156 40 0 DIABRN Cc1ccccc1/C=C1/SC(=O)N(CCc2ccccc2)C1=O ZINC000008570755 563922512 /nfs/dbraw/zinc/92/25/12/563922512.db2.gz PZPUZBWZDHEZDL-GHRIWEEISA-N 0 0 323.417 4.274 40 0 DIABRN COc1ccccc1-c1nc(SCc2ccccc2C)n[nH]1 ZINC000010475483 563922656 /nfs/dbraw/zinc/92/26/56/563922656.db2.gz HJXFPUBIOAPPJC-UHFFFAOYSA-N 0 0 311.410 4.081 40 0 DIABRN C[C@H]1Cc2cc(CNc3ccc(Br)cc3)ccc2O1 ZINC000010299592 563922689 /nfs/dbraw/zinc/92/26/89/563922689.db2.gz JVXIYLBNLFYHNQ-NSHDSACASA-N 0 0 318.214 4.385 40 0 DIABRN Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)C(C)C)n1 ZINC000019690769 563922770 /nfs/dbraw/zinc/92/27/70/563922770.db2.gz QCSULHPZEMNCCP-LJQANCHMSA-N 0 0 308.425 4.377 40 0 DIABRN CC(C)(C)CN1CCO[C@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000019692875 563922777 /nfs/dbraw/zinc/92/27/77/563922777.db2.gz WYCXXFOEMVHGKI-FQEVSTJZSA-N 0 0 324.468 4.092 40 0 DIABRN C[C@H](SCc1ccccc1)C(=O)Nc1ccc(F)cc1F ZINC000015801062 563922800 /nfs/dbraw/zinc/92/28/00/563922800.db2.gz DUVDMFRYROTMQW-NSHDSACASA-N 0 0 307.365 4.225 40 0 DIABRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@H]4[C@H]3CC[C@]12C ZINC000026569641 563922938 /nfs/dbraw/zinc/92/29/38/563922938.db2.gz NVUUMOOKVFONOM-UXXOSCIKSA-N 0 0 300.442 4.333 40 0 DIABRN COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ccc(C)cc1 ZINC000047219389 563923065 /nfs/dbraw/zinc/92/30/65/563923065.db2.gz AKKANLAAPVNAHV-AWEZNQCLSA-N 0 0 315.438 4.431 40 0 DIABRN CCc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1CC ZINC000685937972 563927031 /nfs/dbraw/zinc/92/70/31/563927031.db2.gz FBGDRIVRPGWSSC-UHFFFAOYSA-N 0 0 307.393 4.232 40 0 DIABRN CCOC(=O)c1cccc(CN(C(=O)OC(C)(C)C)C(C)C)c1 ZINC000685936926 563927061 /nfs/dbraw/zinc/92/70/61/563927061.db2.gz COZGHRMZRSTPMJ-UHFFFAOYSA-N 0 0 321.417 4.009 40 0 DIABRN Cc1c(=O)c2cc(OCc3ccccc3)ccc2[nH]c1C1CC1 ZINC000685938445 563927142 /nfs/dbraw/zinc/92/71/42/563927142.db2.gz SFRFLBLFDKONPW-UHFFFAOYSA-N 0 0 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DIABRN Cc1ccc(N2CCOCC2)c(NCc2ccccc2Cl)c1 ZINC000226240588 568420640 /nfs/dbraw/zinc/42/06/40/568420640.db2.gz MAKBYRXPWGJKTL-UHFFFAOYSA-N 0 0 316.832 4.097 40 0 DIABRN C/C=C/c1ccc(OCc2nc3ccccc3n2C)c(OC)c1 ZINC000033481280 1036559126 /nfs/dbraw/zinc/55/91/26/1036559126.db2.gz HTCRFRFWYCVNPM-QPJJXVBHSA-N 0 0 308.381 4.194 40 0 DIABRN CC(C)OCc1cccc(CNC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000049153186 1038673725 /nfs/dbraw/zinc/67/37/25/1038673725.db2.gz HWKFAEVJPVTXFF-IPELMVKDSA-N 0 0 315.457 4.054 40 0 DIABRN Cc1cc(OC(F)(F)C(F)(F)F)ccc1Br ZINC000263620169 1041263924 /nfs/dbraw/zinc/26/39/24/1041263924.db2.gz LWTLENYWEILDLZ-UHFFFAOYSA-N 0 0 305.040 4.291 40 0 DIABRN COc1ccc(NC(=S)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000013935123 1041502879 /nfs/dbraw/zinc/50/28/79/1041502879.db2.gz ILSOHMMCDARTPS-UHFFFAOYSA-N 0 0 322.817 4.166 40 0 DIABRN Fc1cccc(CN(Cc2ccccc2)Cc2ccncc2)c1 ZINC000013989200 1041502920 /nfs/dbraw/zinc/50/29/20/1041502920.db2.gz DKGZDDZDGCYUMA-UHFFFAOYSA-N 0 0 306.384 4.423 40 0 DIABRN COc1cc2[nH]c(Cc3ccc(Cl)cc3)nc2c(Cl)c1 ZINC000216912339 1041810117 /nfs/dbraw/zinc/81/01/17/1041810117.db2.gz PJYPLEMMBXYJSQ-UHFFFAOYSA-N 0 0 307.180 4.469 40 0 DIABRN COc1cc(C)c([C@H](C)NC(=O)c2ccco2)cc1C(C)C ZINC000223272908 1042259640 /nfs/dbraw/zinc/25/96/40/1042259640.db2.gz KPODQZPHPKPCPD-ZDUSSCGKSA-N 0 0 301.386 4.211 40 0 DIABRN CC(C)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000044443086 1042893039 /nfs/dbraw/zinc/89/30/39/1042893039.db2.gz FMJNMSAAMWLLPE-HXUWFJFHSA-N 0 0 323.436 4.383 40 0 DIABRN O=C(NCCOc1cccc2ccccc21)Nc1ccccc1 ZINC000002553839 1043219716 /nfs/dbraw/zinc/21/97/16/1043219716.db2.gz VNTNXSSCMCTAPR-UHFFFAOYSA-N 0 0 306.365 4.040 40 0 DIABRN CCc1ccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000219850599 1044356337 /nfs/dbraw/zinc/35/63/37/1044356337.db2.gz YHRHNUVBXUHXHV-UHFFFAOYSA-N 0 0 322.452 4.413 40 0 DIABRN CCOc1ccc(CCCNC(=O)c2cc3ccccc3o2)cc1 ZINC000219947619 1044357126 /nfs/dbraw/zinc/35/71/26/1044357126.db2.gz FTWYPXDSSGSBMS-UHFFFAOYSA-N 0 0 323.392 4.194 40 0 DIABRN O=C(CCc1ccccc1F)NCCCc1ccc(Cl)cc1 ZINC000223294241 1044364100 /nfs/dbraw/zinc/36/41/00/1044364100.db2.gz NJJXESCHDBRBNT-UHFFFAOYSA-N 0 0 319.807 4.161 40 0 DIABRN CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COC ZINC000224683787 1044390899 /nfs/dbraw/zinc/39/08/99/1044390899.db2.gz BWTYXQZCZACTST-UHFFFAOYSA-N 0 0 313.397 4.046 40 0 DIABRN CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COC ZINC000224684199 1044391396 /nfs/dbraw/zinc/39/13/96/1044391396.db2.gz PPAVFLYUQFRHBY-UHFFFAOYSA-N 0 0 319.788 4.137 40 0 DIABRN O=c1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]1 ZINC000096311902 1047641241 /nfs/dbraw/zinc/64/12/41/1047641241.db2.gz SLJIAGTWIZXZCG-UHFFFAOYSA-N 0 0 307.193 4.080 40 0 DIABRN Cc1ccc2cc(-c3cccc(=O)[nH]3)n(C(=O)OC(C)(C)C)c2c1 ZINC000096311926 1047641271 /nfs/dbraw/zinc/64/12/71/1047641271.db2.gz DRNSNKDKAPHNSH-UHFFFAOYSA-N 0 0 324.380 4.088 40 0 DIABRN CC(=O)c1cccc(NC(=S)Nc2cc(F)ccc2C)c1 ZINC000006966927 1056061423 /nfs/dbraw/zinc/06/14/23/1056061423.db2.gz IHPWUXZYUXSTLT-UHFFFAOYSA-N 0 0 302.374 4.146 40 0 DIABRN CCc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 ZINC000010893775 1056317203 /nfs/dbraw/zinc/31/72/03/1056317203.db2.gz OLXKFKMSILLYNC-UHFFFAOYSA-N 0 0 322.433 4.303 40 0 DIABRN Cc1cccc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)c1 ZINC000032501682 1056387039 /nfs/dbraw/zinc/38/70/39/1056387039.db2.gz ZRMRYZGHJXPIKC-UHFFFAOYSA-N 0 0 319.286 4.142 40 0 DIABRN CC1(C)N=C(c2ccc(Cl)cc2)[C@@H]2[C@H](c3ccc(F)cc3)N21 ZINC000015224510 1056614731 /nfs/dbraw/zinc/61/47/31/1056614731.db2.gz MZUJXPSMDHPDLE-NCHORFDRSA-N 0 0 314.791 4.443 40 0 DIABRN