smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(NC(=O)CC2S/C(=N/c3cccc(C(F)(F)F)c3)N(C)C2=O)cc1 ZINC000102406516 130127133 /nfs/dbraw/zinc/12/71/33/130127133.db2.gz ONGYUORWOGZMEP-ZURFJKDFSA-N 0 2 479.480 4.472 40 30 JIEBLN CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/c3cccc(C(F)(F)F)c3)N(C)C2=O)cc1 ZINC000102406516 130127136 /nfs/dbraw/zinc/12/71/36/130127136.db2.gz ONGYUORWOGZMEP-ZURFJKDFSA-N 0 2 479.480 4.472 40 30 JIEBLN O=C(C[C@@H]1SC(=NN=Cc2ccc(Cl)cc2)NC1=O)c1ccc(Br)cc1 ZINC000009244757 527142390 /nfs/dbraw/zinc/14/23/90/527142390.db2.gz JSVHWBBRFBSTCP-CTJICSLTSA-N 0 2 450.745 4.297 40 30 JIEBLN O=C(CC1SC(=NN=Cc2ccc(Cl)cc2)NC1=O)c1ccc(Br)cc1 ZINC000009244757 527142400 /nfs/dbraw/zinc/14/24/00/527142400.db2.gz JSVHWBBRFBSTCP-CTJICSLTSA-N 0 2 450.745 4.297 40 30 JIEBLN COc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000012562597 556056938 /nfs/dbraw/zinc/05/69/38/556056938.db2.gz FTMCXAWAGSINPN-HZHRSRAPSA-N 0 2 470.507 4.249 40 30 JIEBLN O=[N+]([O-])c1ccc(N=NCc2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1 ZINC000059426237 569603482 /nfs/dbraw/zinc/60/34/82/569603482.db2.gz BCULORVBNWQRQD-OMCISZLKSA-N 0 2 460.038 4.180 40 30 JIEBLN O=C(CSc1nc2ccc(/N=C/c3ccc(O)c([N+](=O)[O-])c3)cc2s1)NC[C@H]1CCCO1 ZINC000059474842 569604693 /nfs/dbraw/zinc/60/46/93/569604693.db2.gz SNKOYOGGQIXGFY-WPZNHYQYSA-N 0 2 472.548 4.048 40 30 JIEBLN COc1ccc(NC(=O)CC2S/C(=N/c3ccc(C)cc3C)N(C[C@@H]3CCCO3)C2=O)c(OC)c1 ZINC000102962365 569830175 /nfs/dbraw/zinc/83/01/75/569830175.db2.gz BIELPHVQEYZNTG-BCSIRWHNSA-N 0 2 497.617 4.460 40 30 JIEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C)cc3C)N(C[C@@H]3CCCO3)C2=O)c(OC)c1 ZINC000102962365 569830176 /nfs/dbraw/zinc/83/01/76/569830176.db2.gz BIELPHVQEYZNTG-BCSIRWHNSA-N 0 2 497.617 4.460 40 30 JIEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N/c3ccccc3)N(Cc3ccccn3)C2=O)c1 ZINC000102962232 569830177 /nfs/dbraw/zinc/83/01/77/569830177.db2.gz MCXGXOIWMHRTNA-SIHNDCSESA-N 0 2 476.558 4.259 40 30 JIEBLN COc1ccc(OC)c(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(Cc3ccccn3)C2=O)c1 ZINC000102962232 569830178 /nfs/dbraw/zinc/83/01/78/569830178.db2.gz MCXGXOIWMHRTNA-SIHNDCSESA-N 0 2 476.558 4.259 40 30 JIEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000408780046 570041218 /nfs/dbraw/zinc/04/12/18/570041218.db2.gz QXHDTYDCHQYQND-CIAFOILYSA-N 0 2 487.899 4.466 40 30 JIEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408814166 570049997 /nfs/dbraw/zinc/04/99/97/570049997.db2.gz OBFLLHZYBJGESF-NTUHNPAUSA-N 0 2 479.703 4.334 40 30 JIEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc(OC)c1OCC ZINC000408857101 570056730 /nfs/dbraw/zinc/05/67/30/570056730.db2.gz MSSGGBXTSMKEFT-XSFVSMFZSA-N 0 2 494.544 4.286 40 30 JIEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000409069291 570117727 /nfs/dbraw/zinc/11/77/27/570117727.db2.gz CKHDHHWJMXMILG-RCCKNPSSSA-N 0 2 462.502 4.054 40 30 JIEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N/c3ccc(C)cc3C)N(C[C@H]3CCCO3)C2=O)c1 ZINC000009403466 524854260 /nfs/dbraw/zinc/85/42/60/524854260.db2.gz DTQWQEWEZCFKNS-SJOJSJJHSA-N 0 2 497.617 4.460 40 30 JIEBLN COc1ccc(OC)c(NC(=O)C[C@H]2S/C(=N/c3ccc(C)cc3C)N(C[C@H]3CCCO3)C2=O)c1 ZINC000009403466 524854270 /nfs/dbraw/zinc/85/42/70/524854270.db2.gz DTQWQEWEZCFKNS-SJOJSJJHSA-N 0 2 497.617 4.460 40 30 JIEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N/c3ccc(C)c(Cl)c3)N(C)C2=O)cc1 ZINC000101662292 569802633 /nfs/dbraw/zinc/80/26/33/569802633.db2.gz QTQFDZRMNKQRPC-IWZUTMLHSA-N 0 2 459.955 4.415 40 30 JIEBLN CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(C)c(Cl)c3)N(C)C2=O)cc1 ZINC000101662292 569802635 /nfs/dbraw/zinc/80/26/35/569802635.db2.gz QTQFDZRMNKQRPC-IWZUTMLHSA-N 0 2 459.955 4.415 40 30 JIEBLN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)cc(Br)c1OCC#N ZINC000108971373 569860045 /nfs/dbraw/zinc/86/00/45/569860045.db2.gz CMRKXZGNROJRTG-HMWDARKLSA-N 0 2 450.339 4.234 40 30 JIEBLN C=CCSc1nnc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)s1 ZINC000225808890 570022938 /nfs/dbraw/zinc/02/29/38/570022938.db2.gz OGOMZDIOLKYMNV-UHFFFAOYSA-N 0 2 484.694 4.355 40 30 JIEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccccc1C#N ZINC000408786328 570043322 /nfs/dbraw/zinc/04/33/22/570043322.db2.gz PNBDTFUHTQLNKF-YDZHTSKRSA-N 0 2 481.508 4.429 40 30 JIEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408797008 570044538 /nfs/dbraw/zinc/04/45/38/570044538.db2.gz FKNKPIYUSRPGJL-LFIBNONCSA-N 0 2 471.307 4.079 40 30 JIEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OCC ZINC000408806943 570047794 /nfs/dbraw/zinc/04/77/94/570047794.db2.gz NPQCEDJCMODUFU-GZTJUZNOSA-N 0 2 452.894 4.034 40 30 JIEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OCC ZINC000408812646 570049609 /nfs/dbraw/zinc/04/96/09/570049609.db2.gz MFCFWUMWYBWHHI-GXDHUFHOSA-N 0 2 459.285 4.071 40 30 JIEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1OCC ZINC000408989797 570093630 /nfs/dbraw/zinc/09/36/30/570093630.db2.gz MDFGINBGJXQRDQ-WQRHYEAKSA-N 0 2 454.910 4.451 40 30 JIEBLN C#CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1CC=C ZINC000408994391 570095102 /nfs/dbraw/zinc/09/51/02/570095102.db2.gz ZJWDBPGUFYSOOB-ZHZULCJRSA-N 0 2 493.357 4.418 40 30 JIEBLN C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OCC ZINC000409068073 570117159 /nfs/dbraw/zinc/11/71/59/570117159.db2.gz FPAMGKTZSQYOGS-NBVRZTHBSA-N 0 2 464.905 4.146 40 30 JIEBLN CCOc1cc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1C#N ZINC000408564414 570202594 /nfs/dbraw/zinc/20/25/94/570202594.db2.gz CQUYHNLFZKFOQW-PTJQVGQKSA-N 0 2 498.539 4.058 40 30 JIEBLN C=CCn1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c2ccccc21 ZINC000016138515 519276148 /nfs/dbraw/zinc/27/61/48/519276148.db2.gz CVLFCNRSVHMFMP-WQRHYEAKSA-N 0 2 450.292 4.256 40 30 JIEBLN COc1ccc(NC(=O)CC2S/C(=N\c3ccc(C)cc3C)N(C[C@@H]3CCCO3)C2=O)c(OC)c1 ZINC000028721930 524524537 /nfs/dbraw/zinc/52/45/37/524524537.db2.gz BIELPHVQEYZNTG-XBVAXDKDSA-N 0 2 497.617 4.460 40 30 JIEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(C)cc3C)N(C[C@@H]3CCCO3)C2=O)c(OC)c1 ZINC000028721930 524524547 /nfs/dbraw/zinc/52/45/47/524524547.db2.gz BIELPHVQEYZNTG-XBVAXDKDSA-N 0 2 497.617 4.460 40 30 JIEBLN O=C(CC1S/C(=N/S(=O)(=O)c2cccs2)N(C2CCCCC2)C1=O)Nc1ccc(F)cc1 ZINC000033432228 527184457 /nfs/dbraw/zinc/18/44/57/527184457.db2.gz WCGRIGGFZRUXEI-LWYOUWALSA-N 0 2 495.623 4.237 40 30 JIEBLN CCOc1ccc(C=[NH+]Nc2nnc(SCC(=O)Nc3ccc(Br)cc3C)[n-]2)cc1 ZINC000020176193 555681899 /nfs/dbraw/zinc/68/18/99/555681899.db2.gz ZNVXYIOYYRGYOI-SSDVNMTOSA-N 0 2 489.399 4.451 40 30 JIEBLN O=C(CC1S/C(=N/c2ccccc2Cl)NC1=O)Nc1ccc(I)cc1 ZINC000017084634 556215721 /nfs/dbraw/zinc/21/57/21/556215721.db2.gz XQUDSERZZFLNDN-AWEZNQCLSA-N 0 2 485.734 4.193 40 30 JIEBLN O=C(C[C@@H]1S/C(=N/c2ccccc2Cl)NC1=O)Nc1ccc(I)cc1 ZINC000017084634 556215724 /nfs/dbraw/zinc/21/57/24/556215724.db2.gz XQUDSERZZFLNDN-AWEZNQCLSA-N 0 2 485.734 4.193 40 30 JIEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(I)cc3)N(C)C2=O)cc1 ZINC000101650213 569802489 /nfs/dbraw/zinc/80/24/89/569802489.db2.gz DWHSHKORSOMLIG-UFIXSJTLSA-N 0 2 479.343 4.190 40 30 JIEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(I)cc3)N(C)C2=O)cc1 ZINC000101650213 569802490 /nfs/dbraw/zinc/80/24/90/569802490.db2.gz DWHSHKORSOMLIG-UFIXSJTLSA-N 0 2 479.343 4.190 40 30 JIEBLN Cc1ccccc1NC(=O)CC1S/C(=N/c2ccc(I)cc2)N(C)C1=O ZINC000101650199 569802508 /nfs/dbraw/zinc/80/25/08/569802508.db2.gz GRMGFQIZBADXDP-YGCDDZCOSA-N 0 2 479.343 4.190 40 30 JIEBLN Cc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccc(I)cc2)N(C)C1=O ZINC000101650199 569802510 /nfs/dbraw/zinc/80/25/10/569802510.db2.gz GRMGFQIZBADXDP-YGCDDZCOSA-N 0 2 479.343 4.190 40 30 JIEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000408815257 570050299 /nfs/dbraw/zinc/05/02/99/570050299.db2.gz QTZVNFKUQYAXFL-XNTDXEJSSA-N 0 2 473.312 4.379 40 30 JIEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OCC)c1OC ZINC000408986437 570092513 /nfs/dbraw/zinc/09/25/13/570092513.db2.gz CILOCWHBAFXTSM-WQRHYEAKSA-N 0 2 454.910 4.451 40 30 JIEBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C#N)cc4)o3)C2=O)c(OCC)c1 ZINC000409024063 570103852 /nfs/dbraw/zinc/10/38/52/570103852.db2.gz SYKLATHFHJIKBJ-DEDYPNTBSA-N 0 2 471.469 4.282 40 30 JIEBLN COCc1cc(C)nc(N=NCc2cc(Br)c(O)c(Br)c2)c1C#N ZINC000254858990 570106407 /nfs/dbraw/zinc/10/64/07/570106407.db2.gz ZONWXMJRDOQLST-UHFFFAOYSA-N 0 2 454.122 4.085 40 30 JIEBLN C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC ZINC000409066129 570116494 /nfs/dbraw/zinc/11/64/94/570116494.db2.gz JZVLYTGDGGNUCV-XMHGGMMESA-N 0 2 478.932 4.454 40 30 JIEBLN C=CCOc1ccc(Br)cc1[C@H]1[C@@H]([N+](=O)[O-])[C@]2(C(=O)Nc3ccccc32)N2CCC[C@@H]12 ZINC000408564997 570202862 /nfs/dbraw/zinc/20/28/62/570202862.db2.gz GZUXYODRUQOVIU-BWKHYTDRSA-N 0 2 484.350 4.068 40 30 JIEBLN C=CCOc1ccc(Br)cc1[C@H]1C([N+](=O)[O-])[C@]2(C(=O)Nc3ccccc32)N2CCC[C@@H]12 ZINC000408564997 570202864 /nfs/dbraw/zinc/20/28/64/570202864.db2.gz GZUXYODRUQOVIU-BWKHYTDRSA-N 0 2 484.350 4.068 40 30 JIEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCC(=O)OC ZINC000059135618 195390370 /nfs/dbraw/zinc/39/03/70/195390370.db2.gz USOVARSGLRIJGX-XDHOZWIPSA-N 0 2 482.464 4.011 40 30 JIEBLN CCOc1ccc(/N=C2/SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2C)cc1 ZINC000059254535 195396445 /nfs/dbraw/zinc/39/64/45/195396445.db2.gz QZHRQLNVSJRDCB-OLRQPGBRSA-N 0 2 462.369 4.438 40 30 JIEBLN COc1ccccc1/N=C1\SC(CC(=O)Nc2ccccc2)C(=O)N1CCc1ccccn1 ZINC000009403120 524329109 /nfs/dbraw/zinc/32/91/09/524329109.db2.gz SBLANQULOFQZTJ-AOKXBXCXSA-N 0 2 460.559 4.293 40 30 JIEBLN COc1ccccc1/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1CCc1ccccn1 ZINC000009403120 524329117 /nfs/dbraw/zinc/32/91/17/524329117.db2.gz SBLANQULOFQZTJ-AOKXBXCXSA-N 0 2 460.559 4.293 40 30 JIEBLN CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=O)C(=C(C)O)C(O)=C[C@]1(Sc1ccccc1)O2 ZINC000001768137 553986221 /nfs/dbraw/zinc/98/62/21/553986221.db2.gz LSOAAVNSTUDKDD-DNQXCXABSA-N 0 2 454.500 4.121 40 30 JIEBLN O=C(CC1S/C(=N/S(=O)(=O)c2ccccc2)N(C2CCCCC2)C1=O)Nc1ccc(F)cc1 ZINC000033774639 569634330 /nfs/dbraw/zinc/63/43/30/569634330.db2.gz TZUKOBYANCVAQU-FXFSXJFASA-N 0 2 489.594 4.176 40 30 JIEBLN ON=C(CC(O)(C(F)(F)Cl)C(F)(F)Cl)CC(O)(C(F)(F)Cl)C(F)(F)Cl ZINC000073313063 569704349 /nfs/dbraw/zinc/70/43/49/569704349.db2.gz RFBJFEPPFAZMQR-UHFFFAOYSA-N 0 2 470.955 4.385 40 30 JIEBLN Cc1ccc(NC(=O)CC2S/C(=N/c3ccc(I)cc3)N(C)C2=O)cc1C ZINC000101650169 569802498 /nfs/dbraw/zinc/80/24/98/569802498.db2.gz DPIRZLKEHNSRSV-OLRQPGBRSA-N 0 2 493.370 4.498 40 30 JIEBLN Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(I)cc3)N(C)C2=O)cc1C ZINC000101650169 569802500 /nfs/dbraw/zinc/80/25/00/569802500.db2.gz DPIRZLKEHNSRSV-OLRQPGBRSA-N 0 2 493.370 4.498 40 30 JIEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC#N ZINC000408772678 570039265 /nfs/dbraw/zinc/03/92/65/570039265.db2.gz QJGOQVATXHMGGK-XDHOZWIPSA-N 0 2 494.345 4.363 40 30 JIEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OCC ZINC000408808621 570048416 /nfs/dbraw/zinc/04/84/16/570048416.db2.gz MSFQYVOJAVVUBB-GZTJUZNOSA-N 0 2 497.345 4.143 40 30 JIEBLN C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1Br ZINC000408901148 570068596 /nfs/dbraw/zinc/06/85/96/570068596.db2.gz WIAGOMREXXRHAD-RGEXLXHISA-N 0 2 497.345 4.306 40 30 JIEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCC ZINC000408902793 570069561 /nfs/dbraw/zinc/06/95/61/570069561.db2.gz LICVMQBPAJVEME-LDADJPATSA-N 0 2 485.334 4.251 40 30 JIEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000409046829 570108919 /nfs/dbraw/zinc/10/89/19/570108919.db2.gz MPFVHEWOMZJOPQ-VGOFMYFVSA-N 0 2 462.245 4.133 40 30 JIEBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccccc1C(F)(F)F ZINC000408535922 570190157 /nfs/dbraw/zinc/19/01/57/570190157.db2.gz PAZDDHXGZWKYOH-GFCCVEGCSA-N 0 2 454.202 4.069 40 30 JIEBLN C=CCOc1c(Cl)cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OCC ZINC000408566769 570203825 /nfs/dbraw/zinc/20/38/25/570203825.db2.gz ORYZWFXZCGSNHE-DPPHCXMASA-N 0 2 483.952 4.358 40 30 JIEBLN C=CCOc1c(Cl)cc([C@H]2C([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OCC ZINC000408566769 570203826 /nfs/dbraw/zinc/20/38/26/570203826.db2.gz ORYZWFXZCGSNHE-DPPHCXMASA-N 0 2 483.952 4.358 40 30 JIEBLN C=CCc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCC(=O)OCC ZINC000059135619 195390212 /nfs/dbraw/zinc/39/02/12/195390212.db2.gz RRZQDEAPKHCSPN-DEDYPNTBSA-N 0 2 496.491 4.402 40 30 JIEBLN C/C(=N/N=C1\NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1)c1ccc(Cl)cc1 ZINC000016136556 518450849 /nfs/dbraw/zinc/45/08/49/518450849.db2.gz IXQYWOOGUWRLBH-PDHRUYIUSA-N 0 2 479.787 4.443 40 30 JIEBLN C/C(=N/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S1)c1ccc(Cl)cc1 ZINC000016136556 518450862 /nfs/dbraw/zinc/45/08/62/518450862.db2.gz IXQYWOOGUWRLBH-PDHRUYIUSA-N 0 2 479.787 4.443 40 30 JIEBLN 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570043018 /nfs/dbraw/zinc/04/30/18/570043018.db2.gz YFUAGVKHRBMKTD-LICLKQGHSA-N 0 2 455.308 4.166 40 30 JIEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OCC ZINC000408802275 570046193 /nfs/dbraw/zinc/04/61/93/570046193.db2.gz XXZKZNXMMYROSC-GZTJUZNOSA-N 0 2 497.345 4.143 40 30 JIEBLN C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O ZINC000408804648 570046994 /nfs/dbraw/zinc/04/69/94/570046994.db2.gz ZGCOYKBRZMLEON-CJLVFECKSA-N 0 2 470.481 4.248 40 30 JIEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OCC ZINC000408804854 570047072 /nfs/dbraw/zinc/04/70/72/570047072.db2.gz BTVIFHMFASBRTI-GZTJUZNOSA-N 0 2 485.334 4.387 40 30 JIEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OCC ZINC000408805856 570047409 /nfs/dbraw/zinc/04/74/09/570047409.db2.gz HYEMUJHULAURMY-GZTJUZNOSA-N 0 2 452.894 4.034 40 30 JIEBLN C#CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OCCCC)cc2)C1=O ZINC000408895237 570066878 /nfs/dbraw/zinc/06/68/78/570066878.db2.gz 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O=C1C[C@@H]([C@@](O)(C(F)(F)F)C(F)(F)Cl)CCC1[C@@](O)(C(F)(F)F)C(F)(F)Cl ZINC000073354583 527021902 /nfs/dbraw/zinc/02/19/02/527021902.db2.gz AGMRKTJBFHLLHW-JJJMYNALSA-N 0 2 463.095 4.222 40 30 JIEBLN CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=O)C(=C(C)O)C(O)=C[C@@]1(Sc1ccccc1)O2 ZINC000001768134 553986136 /nfs/dbraw/zinc/98/61/36/553986136.db2.gz LSOAAVNSTUDKDD-RPWUZVMVSA-N 0 2 454.500 4.121 40 30 JIEBLN CC(=O)c1c2c(c(O)c(C)c1O)[C@@]1(C)C(=O)C(=C(C)O)C(O)=C[C@]1(Sc1ccccc1)O2 ZINC000001768143 553986513 /nfs/dbraw/zinc/98/65/13/553986513.db2.gz LSOAAVNSTUDKDD-BJKOFHAPSA-N 0 2 454.500 4.121 40 30 JIEBLN O=C(CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2s1)NC[C@H]1CCCO1 ZINC000059474838 569604635 /nfs/dbraw/zinc/60/46/35/569604635.db2.gz UJXDHRBPFFBMJD-YJCKXXIQSA-N 0 2 472.548 4.048 40 30 JIEBLN C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408812417 570049448 /nfs/dbraw/zinc/04/94/48/570049448.db2.gz MXESDSMFINPQDJ-LFIBNONCSA-N 0 2 461.699 4.334 40 30 JIEBLN C#CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)cc3)C2=O)cc1OCC ZINC000408896682 570067297 /nfs/dbraw/zinc/06/72/97/570067297.db2.gz HIAFQACKKGVXFQ-UYRXBGFRSA-N 0 2 482.920 4.206 40 30 JIEBLN C#CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O ZINC000408899338 570067949 /nfs/dbraw/zinc/06/79/49/570067949.db2.gz ONYCMIABCPQKDC-WJDWOHSUSA-N 0 2 473.710 4.089 40 30 JIEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br ZINC000408913112 570073868 /nfs/dbraw/zinc/07/38/68/570073868.db2.gz KSOPGLNEWWOAEX-VGOFMYFVSA-N 0 2 479.689 4.473 40 30 JIEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(OCC)c1OC ZINC000409069912 570117880 /nfs/dbraw/zinc/11/78/80/570117880.db2.gz YNODHNKQNHPOKX-WOJGMQOQSA-N 0 2 454.910 4.451 40 30 JIEBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Cl)cc1Cl ZINC000408533743 570189180 /nfs/dbraw/zinc/18/91/80/570189180.db2.gz KPOCUOIQNAPHAV-LBPRGKRZSA-N 0 2 455.095 4.357 40 30 JIEBLN COc1ccc(Br)cc1NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408530325 570187627 /nfs/dbraw/zinc/18/76/27/570187627.db2.gz DZNKMZOVZKHRCP-CYBMUJFWSA-N 0 2 484.228 4.078 40 30 JIEBLN C=CCOc1c(Cl)cc([C@@H]2[C@@H]3CCCN3[C@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc1OCC ZINC000408566776 570203864 /nfs/dbraw/zinc/20/38/64/570203864.db2.gz ORYZWFXZCGSNHE-MXSFIFILSA-N 0 2 483.952 4.358 40 30 JIEBLN C=CCOc1c(Cl)cc([C@H]2C([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OCC ZINC000408566776 570203865 /nfs/dbraw/zinc/20/38/65/570203865.db2.gz ORYZWFXZCGSNHE-MXSFIFILSA-N 0 2 483.952 4.358 40 30 JIEBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCC#N ZINC000059135502 195390340 /nfs/dbraw/zinc/39/03/40/195390340.db2.gz VMHSJKATVJYBKU-OQLLNIDSSA-N 0 2 488.269 4.396 40 30 JIEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N\N=C\c2ccc(Br)cc2)NC1=O ZINC000009561675 524282147 /nfs/dbraw/zinc/28/21/47/524282147.db2.gz JDYIMACLGXQQLJ-CNPYVQQSSA-N 0 2 459.369 4.016 40 30 JIEBLN Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)NC1=O ZINC000009561675 524282168 /nfs/dbraw/zinc/28/21/68/524282168.db2.gz JDYIMACLGXQQLJ-CNPYVQQSSA-N 0 2 459.369 4.016 40 30 JIEBLN O=C(CSc1nc2ccc(/N=C/c3ccc(O)c([N+](=O)[O-])c3)cc2s1)NC[C@@H]1CCCO1 ZINC000059474841 569604687 /nfs/dbraw/zinc/60/46/87/569604687.db2.gz SNKOYOGGQIXGFY-GTQIFZCBSA-N 0 2 472.548 4.048 40 30 JIEBLN CCOc1cccc(NC(=O)CC2S/C(=N/c3ccc(Br)cc3)N(C)C2=O)c1 ZINC000101662306 569802660 /nfs/dbraw/zinc/80/26/60/569802660.db2.gz LSDDQYHSWHRTRR-OLRQPGBRSA-N 0 2 462.369 4.438 40 30 JIEBLN CCOc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccc(Br)cc3)N(C)C2=O)c1 ZINC000101662306 569802662 /nfs/dbraw/zinc/80/26/62/569802662.db2.gz LSDDQYHSWHRTRR-OLRQPGBRSA-N 0 2 462.369 4.438 40 30 JIEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br ZINC000408802876 570046332 /nfs/dbraw/zinc/04/63/32/570046332.db2.gz IQLRKXVRZHIFBQ-GZTJUZNOSA-N 0 2 455.308 4.297 40 30 JIEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1OCC ZINC000408804654 570046996 /nfs/dbraw/zinc/04/69/96/570046996.db2.gz ZIFRZOZVEINQPY-LDADJPATSA-N 0 2 498.919 4.147 40 30 JIEBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408534902 570189596 /nfs/dbraw/zinc/18/95/96/570189596.db2.gz MWHUVYVZECRPSZ-LBPRGKRZSA-N 0 2 499.546 4.467 40 30 JIEBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408536105 570190318 /nfs/dbraw/zinc/19/03/18/570190318.db2.gz PSGQDBKPNLMXES-LBPRGKRZSA-N 0 2 455.095 4.357 40 30 JIEBLN COc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(C)cc2C)c(OC)c1 ZINC000009373085 523447374 /nfs/dbraw/zinc/44/73/74/523447374.db2.gz OSEJHEPKODAYRN-ZVHZXABRSA-N 0 2 484.534 4.476 40 30 JIEBLN Cc1ccccc1NC(=O)C[C@H]1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(c2ccccc2)C1=O ZINC000013843472 555632650 /nfs/dbraw/zinc/63/26/50/555632650.db2.gz APPOXUCHCIMFHK-RTGZZVAKSA-N 0 2 497.573 4.356 40 30 JIEBLN CCOc1ccc(CN=Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[N+](=O)[O-])cc1 ZINC000012529335 555999005 /nfs/dbraw/zinc/99/90/05/555999005.db2.gz YFYHHGRMMUCSBP-HZHRSRAPSA-N 0 2 470.507 4.249 40 30 JIEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(OCC)c1O ZINC000059678624 569607421 /nfs/dbraw/zinc/60/74/21/569607421.db2.gz GPIVTHXDLVGXEU-GZTJUZNOSA-N 0 2 485.334 4.257 40 30 JIEBLN O=C(C[C@H]1S/C(=N/S(=O)(=O)c2cccs2)N(c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000100973237 569778165 /nfs/dbraw/zinc/77/81/65/569778165.db2.gz GSESWTPQVTVTLI-LWYOUWALSA-N 0 2 489.575 4.109 40 30 JIEBLN C#CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1CC=C ZINC000408776229 570040296 /nfs/dbraw/zinc/04/02/96/570040296.db2.gz XEESEKKSNOZCLD-CPNJWEJPSA-N 0 2 479.330 4.164 40 30 JIEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OCC)c1O ZINC000408814941 570050213 /nfs/dbraw/zinc/05/02/13/570050213.db2.gz QTTZJDQGCOQRRM-OQLLNIDSSA-N 0 2 461.301 4.493 40 30 JIEBLN C=CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000409042295 570107863 /nfs/dbraw/zinc/10/78/63/570107863.db2.gz MEPRJZBBCZEVHI-MHWRWJLKSA-N 0 2 475.284 4.011 40 30 JIEBLN O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1ccc(Br)cc1 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LCICXPCQMLLZHW-YADHBBJMSA-N 0 2 463.497 4.316 40 30 JIEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC(C)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000012563685 556058815 /nfs/dbraw/zinc/05/88/15/556058815.db2.gz OVSUKOREAYESAA-HZHRSRAPSA-N 0 2 470.507 4.249 40 30 JIEBLN CCC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC)c1ccc(O)cc1 ZINC000012625695 556092963 /nfs/dbraw/zinc/09/29/63/556092963.db2.gz SYTOTDYGRXGOGX-PTGBLXJZSA-N 0 2 470.507 4.336 40 30 JIEBLN O=C(CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2s1)NC[C@@H]1CCCO1 ZINC000059474837 569604638 /nfs/dbraw/zinc/60/46/38/569604638.db2.gz UJXDHRBPFFBMJD-CPHRPENTSA-N 0 2 472.548 4.048 40 30 JIEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC1S/C(=N\c2ccccc2C)N(C2CC2)C1=O ZINC000102961022 569830030 /nfs/dbraw/zinc/83/00/30/569830030.db2.gz OJAOIUPZKKOGLN-COPMAWBXSA-N 0 2 454.508 4.035 40 30 JIEBLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1S/C(=N\c2ccccc2C)N(C2CC2)C1=O ZINC000102961022 569830032 /nfs/dbraw/zinc/83/00/32/569830032.db2.gz OJAOIUPZKKOGLN-COPMAWBXSA-N 0 2 454.508 4.035 40 30 JIEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OC ZINC000408766409 570037970 /nfs/dbraw/zinc/03/79/70/570037970.db2.gz QCVOEDYJMCNJGW-SFQUDFHCSA-N 0 2 455.308 4.161 40 30 JIEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCC#N ZINC000408771632 570038992 /nfs/dbraw/zinc/03/89/92/570038992.db2.gz IIILGXCGWJAERN-LICLKQGHSA-N 0 2 498.333 4.033 40 30 JIEBLN C#CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408803738 570046796 /nfs/dbraw/zinc/04/67/96/570046796.db2.gz SXSPGORPOARGDA-MHWRWJLKSA-N 0 2 473.710 4.089 40 30 JIEBLN C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000409062899 570115315 /nfs/dbraw/zinc/11/53/15/570115315.db2.gz CNMGXNJTPDNEIR-DEDYPNTBSA-N 0 2 464.905 4.146 40 30 JIEBLN C=CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000409070725 570118208 /nfs/dbraw/zinc/11/82/08/570118208.db2.gz ZBWAEJKOGYHLFX-RCCKNPSSSA-N 0 2 462.502 4.054 40 30 JIEBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Br)c(Cl)c1 ZINC000408532539 570188656 /nfs/dbraw/zinc/18/86/56/570188656.db2.gz IIFQWJUBYOABQT-LBPRGKRZSA-N 0 2 499.546 4.467 40 30 JIEBLN CC(=O)c1ccc(N=C2SC(CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2CC(C)C)cc1 ZINC000015978732 518299599 /nfs/dbraw/zinc/29/95/99/518299599.db2.gz YUKNJXMUHTYIDY-XUKXGFMLSA-N 0 2 468.535 4.414 40 30 JIEBLN CC(=O)c1ccc(N=C2S[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2CC(C)C)cc1 ZINC000015978732 518299615 /nfs/dbraw/zinc/29/96/15/518299615.db2.gz YUKNJXMUHTYIDY-XUKXGFMLSA-N 0 2 468.535 4.414 40 30 JIEBLN C=CCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000009259833 519276259 /nfs/dbraw/zinc/27/62/59/519276259.db2.gz YVCNNKAWKGAIHW-PDGQHHTCSA-N 0 2 450.292 4.256 40 30 JIEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N/N=C3c4ccccc4-c4ccccc43)NC2=O)cc1 ZINC000016713202 521500385 /nfs/dbraw/zinc/50/03/85/521500385.db2.gz OEHPCUUEKOTYLB-JOCHJYFZSA-N 0 2 498.564 4.213 40 30 JIEBLN CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N/N=C3c4ccccc4-c4ccccc43)NC2=O)cc1 ZINC000016713202 521500396 /nfs/dbraw/zinc/50/03/96/521500396.db2.gz OEHPCUUEKOTYLB-JOCHJYFZSA-N 0 2 498.564 4.213 40 30 JIEBLN Cc1ccc(NC(=O)C[C@H]2S/C(=N/S(=O)(=O)c3cccs3)N(c3ccccc3)C2=O)cc1 ZINC000016754888 525091603 /nfs/dbraw/zinc/09/16/03/525091603.db2.gz UROSRHQFUQSVAB-RWUVGJFLSA-N 0 2 485.612 4.279 40 30 JIEBLN O=c1c2c3c(sc2ncn1/N=C/c1cc(Br)c(O)c(Br)c1)CCCC3 ZINC000059433799 569603745 /nfs/dbraw/zinc/60/37/45/569603745.db2.gz WNNYDPUMASBXGE-QPSGOUHRSA-N 0 2 483.185 4.450 40 30 JIEBLN Cc1ccccc1NC(=O)CC1S/C(=N/S(=O)(=O)c2cccs2)N(C2CCCCC2)C1=O ZINC000033783003 569634781 /nfs/dbraw/zinc/63/47/81/569634781.db2.gz LWVNKGITWRIDLI-IPVOUAOMSA-N 0 2 491.660 4.407 40 30 JIEBLN Cc1cccc(C)c1NC(=O)CC1S/C(=N/c2ccc(I)cc2)N(C)C1=O ZINC000101650151 569802415 /nfs/dbraw/zinc/80/24/15/569802415.db2.gz SNVZLJDZHXOBOX-UMIVRTMYSA-N 0 2 493.370 4.498 40 30 JIEBLN Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N/c2ccc(I)cc2)N(C)C1=O ZINC000101650151 569802416 /nfs/dbraw/zinc/80/24/16/569802416.db2.gz SNVZLJDZHXOBOX-UMIVRTMYSA-N 0 2 493.370 4.498 40 30 JIEBLN O=C(CC1S/C(=N\c2cccc3ccccc32)N(CCN2CCOCC2)C1=O)Nc1ccccc1 ZINC000102961348 569830069 /nfs/dbraw/zinc/83/00/69/569830069.db2.gz NJUOUNYJDPOKSL-HZVWYJMBSA-N 0 2 488.613 4.132 40 30 JIEBLN COc1ccc(OC)c(NC(=O)CC2S/C(=N/c3ccccc3)N(Cc3ccccn3)C2=O)c1 ZINC000102962234 569830204 /nfs/dbraw/zinc/83/02/04/569830204.db2.gz MCXGXOIWMHRTNA-GOTSBPSXSA-N 0 2 476.558 4.259 40 30 JIEBLN COc1ccc(OC)c(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(Cc3ccccn3)C2=O)c1 ZINC000102962234 569830205 /nfs/dbraw/zinc/83/02/05/569830205.db2.gz MCXGXOIWMHRTNA-GOTSBPSXSA-N 0 2 476.558 4.259 40 30 JIEBLN Oc1c(Cl)cc(Cl)cc1C=NN=c1nc2[nH]onc-2nc1Nc1cccc(Cl)c1 ZINC000408735020 570030168 /nfs/dbraw/zinc/03/01/68/570030168.db2.gz JNGFYPBFKQCIOL-QPSGOUHRSA-N 0 2 450.673 4.868 40 30 JIEBLN O=[N+]([O-])c1ccc(NN=Cc2cc(Br)c(O)c(I)c2)cc1 ZINC000408738063 570031032 /nfs/dbraw/zinc/03/10/32/570031032.db2.gz MNQTZARRLPXVLF-FRKPEAEDSA-N 0 2 462.041 4.114 40 30 JIEBLN C=CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000408768774 570038435 /nfs/dbraw/zinc/03/84/35/570038435.db2.gz JFGMBECVYDDNFQ-LICLKQGHSA-N 0 2 485.334 4.306 40 30 JIEBLN C#CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000408795591 570044420 /nfs/dbraw/zinc/04/44/20/570044420.db2.gz CKTHXIQPZXUDEA-MHWRWJLKSA-N 0 2 473.710 4.089 40 30 JIEBLN C=CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000408801494 570045789 /nfs/dbraw/zinc/04/57/89/570045789.db2.gz UAOTUTHETLSAON-SDNWHVSQSA-N 0 2 461.699 4.334 40 30 JIEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000408801938 570045974 /nfs/dbraw/zinc/04/59/74/570045974.db2.gz XDKGRBYLCDVFLD-MDWZMJQESA-N 0 2 494.128 4.434 40 30 JIEBLN C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O ZINC000408832178 570052812 /nfs/dbraw/zinc/05/28/12/570052812.db2.gz RMHUXKLTQFSKPX-LDADJPATSA-N 0 2 490.899 4.189 40 30 JIEBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1C#N ZINC000408856717 570056691 /nfs/dbraw/zinc/05/66/91/570056691.db2.gz KSXYIQFGAGLXGG-YDZHTSKRSA-N 0 2 481.508 4.429 40 30 JIEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCCC ZINC000409065851 570116367 /nfs/dbraw/zinc/11/63/67/570116367.db2.gz NVMNSUFBNMKQLD-XSFVSMFZSA-N 0 2 452.482 4.408 40 30 JIEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCCC ZINC000409073349 570119090 /nfs/dbraw/zinc/11/90/90/570119090.db2.gz YFCMRQQPAFMEEQ-XSFVSMFZSA-N 0 2 479.489 4.177 40 30 JIEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(OC)c1OC ZINC000409095414 570126358 /nfs/dbraw/zinc/12/63/58/570126358.db2.gz CJZIDAMEVKQOCT-GXDHUFHOSA-N 0 2 461.301 4.406 40 30 JIEBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Cl)cc1Cl ZINC000408533739 570189242 /nfs/dbraw/zinc/18/92/42/570189242.db2.gz KPOCUOIQNAPHAV-GFCCVEGCSA-N 0 2 455.095 4.357 40 30 JIEBLN Cc1c(C)c(N2C(=O)NC(=O)C(=CNc3sc4c(c3C#N)CCC4)C2=O)ccc1Br 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GNFATKYKQCHQMC-LFIBNONCSA-N 0 2 455.308 4.297 40 30 JIEBLN C=CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC ZINC000408806296 570047514 /nfs/dbraw/zinc/04/75/14/570047514.db2.gz AZKOCAOWTSPBND-UKTHLTGXSA-N 0 2 491.725 4.342 40 30 JIEBLN C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408809244 570048513 /nfs/dbraw/zinc/04/85/13/570048513.db2.gz NPNMNBQSGNENOQ-XSFVSMFZSA-N 0 2 475.298 4.281 40 30 JIEBLN C=CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2CC)C1=O ZINC000408875106 570060939 /nfs/dbraw/zinc/06/09/39/570060939.db2.gz DAVDKWKYHKFYMQ-LGMDPLHJSA-N 0 2 455.308 4.243 40 30 JIEBLN C#CCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC ZINC000408981380 570090964 /nfs/dbraw/zinc/09/09/64/570090964.db2.gz ATGGDCFCGYPCAP-PDGQHHTCSA-N 0 2 497.345 4.089 40 30 JIEBLN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Cl ZINC000409047744 570109134 /nfs/dbraw/zinc/10/91/34/570109134.db2.gz PHZZOTDFTMDTPI-OQLLNIDSSA-N 0 2 475.284 4.011 40 30 JIEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(OCC)c1OCCC ZINC000409063942 570115708 /nfs/dbraw/zinc/11/57/08/570115708.db2.gz ASHBMSDZYWDCRI-RCCKNPSSSA-N 0 2 492.528 4.056 40 30 JIEBLN C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC ZINC000409065362 570116099 /nfs/dbraw/zinc/11/60/99/570116099.db2.gz KYXVKHMGLASMTR-XDHOZWIPSA-N 0 2 464.905 4.064 40 30 JIEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1OCCC ZINC000409068576 570117467 /nfs/dbraw/zinc/11/74/67/570117467.db2.gz TYKMIBDHSGFTKF-RCCKNPSSSA-N 0 2 464.518 4.278 40 30 JIEBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408534899 570189603 /nfs/dbraw/zinc/18/96/03/570189603.db2.gz MWHUVYVZECRPSZ-GFCCVEGCSA-N 0 2 499.546 4.467 40 30 JIEBLN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(O)c(Br)c1 ZINC000409294097 570194820 /nfs/dbraw/zinc/19/48/20/570194820.db2.gz LBWBVHADHYLBBP-UHFFFAOYSA-N 0 2 471.536 4.471 40 30 JIEBLN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(O)c([N+](=O)[O-])c3)cc21 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RBESDPDENNJCCC-XNTDXEJSSA-N 0 2 459.285 4.071 40 30 JIEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OCC ZINC000408811868 570049377 /nfs/dbraw/zinc/04/93/77/570049377.db2.gz RXEAPPSOCALSNX-GZTJUZNOSA-N 0 2 452.894 4.034 40 30 JIEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1Br ZINC000408816555 570050744 /nfs/dbraw/zinc/05/07/44/570050744.db2.gz YYGZYHYTBYKQGT-LFIBNONCSA-N 0 2 455.308 4.297 40 30 JIEBLN C=CCOc1cc(OC)ccc1/C=C1/C(=O)NC(=O)N(c2ccc(OCCCC)cc2)C1=O ZINC000408900726 570068394 /nfs/dbraw/zinc/06/83/94/570068394.db2.gz UERINDSAGYHDIB-QNGOZBTKSA-N 0 2 450.491 4.105 40 30 JIEBLN C#CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC ZINC000408983684 570091454 /nfs/dbraw/zinc/09/14/54/570091454.db2.gz NKRGOFSMHPAIGI-PDGQHHTCSA-N 0 2 497.345 4.089 40 30 JIEBLN N#Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)o2)cc1 ZINC000409022507 570103351 /nfs/dbraw/zinc/10/33/51/570103351.db2.gz QWAVNFRUKCGTHX-WOJGMQOQSA-N 0 2 462.259 4.247 40 30 JIEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1Cl ZINC000409046167 570108816 /nfs/dbraw/zinc/10/88/16/570108816.db2.gz IYQAWBHLRCOECC-MHWRWJLKSA-N 0 2 459.285 4.071 40 30 JIEBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1cccc(C(F)(F)F)c1 ZINC000408538172 570191102 /nfs/dbraw/zinc/19/11/02/570191102.db2.gz YXYNIBHCJBWDRW-CQSZACIVSA-N 0 2 454.202 4.069 40 30 JIEBLN CCOC(=O)c1ccc(/N=C2/SC(CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C)cc1 ZINC000102406690 130127103 /nfs/dbraw/zinc/12/71/03/130127103.db2.gz REVVNXOYTLOTNS-JJEKXKKKSA-N 0 2 459.955 4.415 40 30 JIEBLN CCOC(=O)c1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)N2C)cc1 ZINC000102406690 130127106 /nfs/dbraw/zinc/12/71/06/130127106.db2.gz REVVNXOYTLOTNS-JJEKXKKKSA-N 0 2 459.955 4.415 40 30 JIEBLN CCCOc1ccc(NC(=O)CC2S/C(=N\N=C(/C)CCc3ccc4c(c3)OCO4)NC2=O)cc1 ZINC000020595624 520390174 /nfs/dbraw/zinc/39/01/74/520390174.db2.gz PWPJTZXFRYNGKO-WJRZFDRGSA-N 0 2 496.589 4.129 40 30 JIEBLN CCCOc1ccc(NC(=O)C[C@H]2S/C(=N\N=C(/C)CCc3ccc4c(c3)OCO4)NC2=O)cc1 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