smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc([O-])c(Cl)c1)c1cc2cc(Cl)ccc2o1 ZINC000533540219 331579916 /nfs/dbraw/zinc/57/99/16/331579916.db2.gz LCCWZAXRCLDNGY-UHFFFAOYSA-N -1 1 322.147 4.698 20 0 DJADMM O=C(Nc1ccc(Cl)cc1[O-])c1occc1-c1ccccc1 ZINC000533618498 331608068 /nfs/dbraw/zinc/60/80/68/331608068.db2.gz OAMCJSNUKANHRB-UHFFFAOYSA-N -1 1 313.740 4.558 20 0 DJADMM CC(C)c1noc([N-][C@@H](c2ccccc2)c2cccc(F)c2)n1 ZINC000301593703 336317159 /nfs/dbraw/zinc/31/71/59/336317159.db2.gz DWXXBFNCBKPGNX-INIZCTEOSA-N -1 1 311.360 4.534 20 0 DJADMM Cc1cc2cc(NC(=O)c3cc4ccccc4cc3[O-])ccc2[nH]1 ZINC000436539819 338276167 /nfs/dbraw/zinc/27/61/67/338276167.db2.gz ZVBPFXPLOFFBCR-UHFFFAOYSA-N -1 1 316.360 4.587 20 0 DJADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@]2(CC=CCC2)C1 ZINC000436549098 338276475 /nfs/dbraw/zinc/27/64/75/338276475.db2.gz WIZHUQPLVKBWKA-NRFANRHFSA-N -1 1 321.420 4.508 20 0 DJADMM CO[C@H](C)c1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436792615 338287672 /nfs/dbraw/zinc/28/76/72/338287672.db2.gz OJNFCDIWGCWEFD-CYBMUJFWSA-N -1 1 321.376 4.505 20 0 DJADMM O=C([N-]c1c(F)cc(F)cc1F)c1ccc(-c2cccs2)o1 ZINC000544024159 341067012 /nfs/dbraw/zinc/06/70/12/341067012.db2.gz UZNRXDCZYHRQPK-UHFFFAOYSA-N -1 1 323.295 4.678 20 0 DJADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2sccc2s1 ZINC000082192793 341317846 /nfs/dbraw/zinc/31/78/46/341317846.db2.gz DIHNHDRWHNHLCQ-UHFFFAOYSA-N -1 1 309.799 4.574 20 0 DJADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1c1cccs1 ZINC000215665230 332196028 /nfs/dbraw/zinc/19/60/28/332196028.db2.gz VAKRTMHRLABXBS-INIZCTEOSA-N -1 1 323.417 4.584 20 0 DJADMM Cc1ccc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cc1 ZINC000460431342 333085684 /nfs/dbraw/zinc/08/56/84/333085684.db2.gz VVSXLNOVJGCQRB-UHFFFAOYSA-N -1 1 322.433 4.758 20 0 DJADMM C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000392215995 337189485 /nfs/dbraw/zinc/18/94/85/337189485.db2.gz QZRCCNGIUWYCHN-ZDUSSCGKSA-N -1 1 323.367 4.518 20 0 DJADMM CCS[C@H](c1nc(-c2ccc([O-])cc2Cl)no1)C(C)C ZINC000445448545 337854893 /nfs/dbraw/zinc/85/48/93/337854893.db2.gz WECCQOBPZSCKPR-LBPRGKRZSA-N -1 1 312.822 4.546 20 0 DJADMM Cc1ccc2c(c1)scc2C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000435762831 338248233 /nfs/dbraw/zinc/24/82/33/338248233.db2.gz KFFAIEZBGHFJQB-UHFFFAOYSA-N -1 1 317.797 4.821 20 0 DJADMM Cc1cc2cc(NC(=O)c3ccc4ccccc4c3[O-])ccc2[nH]1 ZINC000436631746 338280682 /nfs/dbraw/zinc/28/06/82/338280682.db2.gz UKDMIWHDDSHYAY-UHFFFAOYSA-N -1 1 316.360 4.587 20 0 DJADMM Cc1ccc(Cl)cc1N(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436709508 338283659 /nfs/dbraw/zinc/28/36/59/338283659.db2.gz XVZPAKYQLNQFJQ-UHFFFAOYSA-N -1 1 317.816 4.754 20 0 DJADMM Cc1ccc(Cc2noc(-c3ccc4ccccc4c3[O-])n2)s1 ZINC000436887129 338291921 /nfs/dbraw/zinc/29/19/21/338291921.db2.gz PDFZLCGWVYTILG-UHFFFAOYSA-N -1 1 322.389 4.556 20 0 DJADMM CCCc1ccccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000476344064 339474885 /nfs/dbraw/zinc/47/48/85/339474885.db2.gz WAQSEXKCIOXANS-UHFFFAOYSA-N -1 1 304.777 4.642 20 0 DJADMM CCCc1ncc(C(=O)[N-]c2c(F)cccc2SCC)s1 ZINC000484929703 339696053 /nfs/dbraw/zinc/69/60/53/339696053.db2.gz XYNIXGAYIGFHGG-UHFFFAOYSA-N -1 1 324.446 4.599 20 0 DJADMM CCSc1ccc(Cl)cc1[N-]C(=O)c1cc(C(C)C)on1 ZINC000486370418 339726106 /nfs/dbraw/zinc/72/61/06/339726106.db2.gz IFPPUCZCJQHTSD-UHFFFAOYSA-N -1 1 324.833 4.816 20 0 DJADMM Cc1sc2[n-]c([C@@H](F)c3ccc(Cl)cc3)nc(=O)c2c1C ZINC000509073530 340260373 /nfs/dbraw/zinc/26/03/73/340260373.db2.gz BFTLYAUDAFOBHY-LBPRGKRZSA-N -1 1 322.792 4.726 20 0 DJADMM CCc1cc2c([n-]c([C@@H](F)c3ccc(Cl)cc3)nc2=O)s1 ZINC000509075535 340260537 /nfs/dbraw/zinc/26/05/37/340260537.db2.gz UKSIDMOQQZGLTF-LBPRGKRZSA-N -1 1 322.792 4.672 20 0 DJADMM Cc1cccc2nc(-c3ccc(-c4ccccc4)cc3)[n-]c(=O)c12 ZINC000521658011 340527856 /nfs/dbraw/zinc/52/78/56/340527856.db2.gz MDIXEJNEWDBBRK-UHFFFAOYSA-N -1 1 312.372 4.566 20 0 DJADMM Cc1cc(Cl)ccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000190911248 340548062 /nfs/dbraw/zinc/54/80/62/340548062.db2.gz PZGJTYZDGLQPAY-UHFFFAOYSA-N -1 1 311.168 4.651 20 0 DJADMM Cc1c(=O)[n-]c(S[C@H](C)c2ccccc2)nc1-c1ccccc1 ZINC000132811512 341146179 /nfs/dbraw/zinc/14/61/79/341146179.db2.gz DKDLBHZPHBQQRA-CQSZACIVSA-N -1 1 322.433 4.599 20 0 DJADMM COc1cc(/C=C/c2nc3ccccc3s2)cc(Cl)c1[O-] ZINC000005130136 181208249 /nfs/dbraw/zinc/20/82/49/181208249.db2.gz OTTNQPBHXSOFCR-VOTSOKGWSA-N -1 1 317.797 4.834 20 0 DJADMM O=C(Nc1cccc(Nc2ccccc2)c1)c1ccc([O-])cc1F ZINC000181970146 333036320 /nfs/dbraw/zinc/03/63/20/333036320.db2.gz LWQODCHVBMFWTL-UHFFFAOYSA-N -1 1 322.339 4.527 20 0 DJADMM Cc1ccccc1-c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000320811307 335145999 /nfs/dbraw/zinc/14/59/99/335145999.db2.gz LEAJKUPAYIHKJO-UHFFFAOYSA-N -1 1 302.333 4.571 20 0 DJADMM [O-]c1ccc(-c2noc(-c3coc4ccccc34)n2)c(Cl)c1 ZINC000445450511 338005958 /nfs/dbraw/zinc/00/59/58/338005958.db2.gz UHZNSEBOJIOUIX-UHFFFAOYSA-N -1 1 312.712 4.509 20 0 DJADMM CCc1cc(=O)[n-]c(SCc2ccc(-c3ccccc3)cc2)n1 ZINC000436247285 338263334 /nfs/dbraw/zinc/26/33/34/338263334.db2.gz NBDPYAMJDLUZMR-UHFFFAOYSA-N -1 1 322.433 4.704 20 0 DJADMM CSc1ccc(N(C)C(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436544936 338276380 /nfs/dbraw/zinc/27/63/80/338276380.db2.gz DZUZLTAYHUCHOQ-UHFFFAOYSA-N -1 1 315.438 4.514 20 0 DJADMM O=C(c1ccc2ccccc2c1[O-])N(CC1CC1)c1ccccc1 ZINC000436582130 338278441 /nfs/dbraw/zinc/27/84/41/338278441.db2.gz CZBWRMFUIPNUEE-UHFFFAOYSA-N -1 1 317.388 4.602 20 0 DJADMM CCOc1cc(-c2nc3cc(F)ccc3s2)cc(Cl)c1[O-] ZINC000436658628 338281796 /nfs/dbraw/zinc/28/17/96/338281796.db2.gz VFSIXFXYKBCKNO-UHFFFAOYSA-N -1 1 323.776 4.860 20 0 DJADMM [O-]c1ccc(-c2nc3cc(F)ccc3s2)cc1Br ZINC000436659228 338282086 /nfs/dbraw/zinc/28/20/86/338282086.db2.gz YFLQEBVPSVBJBC-UHFFFAOYSA-N -1 1 324.174 4.571 20 0 DJADMM CCCCN(C(=O)c1cc(Cl)ccc1[O-])C1CCCCC1 ZINC000436930244 338294036 /nfs/dbraw/zinc/29/40/36/338294036.db2.gz WGKRAAKMCRGRFS-UHFFFAOYSA-N -1 1 309.837 4.621 20 0 DJADMM C[C@@H](CCC(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000509173389 340262986 /nfs/dbraw/zinc/26/29/86/340262986.db2.gz QPZJNASVAJUVJA-LBPRGKRZSA-N -1 1 303.789 4.568 20 0 DJADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@]2(CC=CCC2)C1 ZINC000303529723 340330726 /nfs/dbraw/zinc/33/07/26/340330726.db2.gz FOVNNOGIEGNMLE-NRFANRHFSA-N -1 1 321.420 4.508 20 0 DJADMM C[C@H](c1ccccc1F)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000220015281 340513283 /nfs/dbraw/zinc/51/32/83/340513283.db2.gz PXSOGHAQUMOPTC-CYBMUJFWSA-N -1 1 323.367 4.518 20 0 DJADMM CSCc1cccc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)c1 ZINC000551508776 341343165 /nfs/dbraw/zinc/34/31/65/341343165.db2.gz HMYRKEPOXODOTH-UHFFFAOYSA-N -1 1 324.449 4.989 20 0 DJADMM Cc1cc2cc[nH]c2cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000444452956 518187997 /nfs/dbraw/zinc/18/79/97/518187997.db2.gz ZZZRIWPVFWOIMU-UHFFFAOYSA-N -1 1 316.360 4.587 20 0 DJADMM Cc1ccccc1CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000460448774 333088793 /nfs/dbraw/zinc/08/87/93/333088793.db2.gz WXBLEXABNHXDRT-UHFFFAOYSA-N -1 1 322.433 4.758 20 0 DJADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2cc(F)ccc2s1 ZINC000541888329 334339501 /nfs/dbraw/zinc/33/95/01/334339501.db2.gz LFSCFVIHUVEAKA-UHFFFAOYSA-N -1 1 321.760 4.652 20 0 DJADMM [O-]c1c(-c2nc(-c3cc(F)cc(F)c3)no2)ccc2ccccc21 ZINC000324816213 336259834 /nfs/dbraw/zinc/25/98/34/336259834.db2.gz QVRKCENNJBTIOL-UHFFFAOYSA-N -1 1 324.286 4.541 20 0 DJADMM Cc1ccc(F)cc1-c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000324942153 336274732 /nfs/dbraw/zinc/27/47/32/336274732.db2.gz QXOPYHJIJAGWMO-UHFFFAOYSA-N -1 1 320.323 4.710 20 0 DJADMM CC(C)c1noc([N-][C@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC000301346073 336301778 /nfs/dbraw/zinc/30/17/78/336301778.db2.gz SORDDKGCATXXOG-MRXNPFEDSA-N -1 1 311.360 4.534 20 0 DJADMM CC(C)[N@@H+](Cc1cccs1)Cc1cccc(C(=O)[O-])c1Cl ZINC000394478096 337114422 /nfs/dbraw/zinc/11/44/22/337114422.db2.gz JEYJDGSOSWGGJZ-UHFFFAOYSA-N -1 1 323.845 4.510 20 0 DJADMM CC(C)N(Cc1cccs1)Cc1cccc(C(=O)[O-])c1Cl ZINC000394478096 337114423 /nfs/dbraw/zinc/11/44/23/337114423.db2.gz JEYJDGSOSWGGJZ-UHFFFAOYSA-N -1 1 323.845 4.510 20 0 DJADMM CCC[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000533081779 337812389 /nfs/dbraw/zinc/81/23/89/337812389.db2.gz HPVVQZBAIJEIIN-AWEZNQCLSA-N -1 1 303.789 4.568 20 0 DJADMM CCc1cc(=O)[n-]c(SCc2ccc(SC(C)C)cc2)n1 ZINC000436209023 338261963 /nfs/dbraw/zinc/26/19/63/338261963.db2.gz WPWMZQSPXXWVTD-UHFFFAOYSA-N -1 1 320.483 4.537 20 0 DJADMM Oc1cccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)c1Cl ZINC000506852830 340202829 /nfs/dbraw/zinc/20/28/29/340202829.db2.gz ZTMPZMPNHVPYFS-INIZCTEOSA-N -1 1 316.832 4.558 20 0 DJADMM CC(C)[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccc(F)cc1 ZINC000509181274 340263210 /nfs/dbraw/zinc/26/32/10/340263210.db2.gz VFEDQYBDKCPIBX-MRXNPFEDSA-N -1 1 321.779 4.563 20 0 DJADMM Cc1cc(F)ccc1-c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000391726370 335083639 /nfs/dbraw/zinc/08/36/39/335083639.db2.gz JTVYDBDRHYKEJP-UHFFFAOYSA-N -1 1 320.323 4.710 20 0 DJADMM [O-]c1c(-c2nc(-c3ccc(F)c(F)c3)no2)ccc2ccccc21 ZINC000324922305 336273846 /nfs/dbraw/zinc/27/38/46/336273846.db2.gz LPDYYVPJUJLHCT-UHFFFAOYSA-N -1 1 324.286 4.541 20 0 DJADMM Cc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1Cl ZINC000190972304 337399181 /nfs/dbraw/zinc/39/91/81/337399181.db2.gz OWNREDMOUXIREA-UHFFFAOYSA-N -1 1 311.168 4.651 20 0 DJADMM CCc1cc(=O)[n-]c(S[C@H](C)c2ccc(C(C)C)cc2)n1 ZINC000436201266 338261819 /nfs/dbraw/zinc/26/18/19/338261819.db2.gz AITDJYZTTMMKAR-GFCCVEGCSA-N -1 1 302.443 4.721 20 0 DJADMM O=C(c1cc2ccccc2cc1[O-])N(CC1CC1)c1ccccc1 ZINC000436590652 338278837 /nfs/dbraw/zinc/27/88/37/338278837.db2.gz UFLXBHQFDROGNU-UHFFFAOYSA-N -1 1 317.388 4.602 20 0 DJADMM CO[C@@H](C)c1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436790919 338287484 /nfs/dbraw/zinc/28/74/84/338287484.db2.gz HRPGFHWVPIMVBR-ZDUSSCGKSA-N -1 1 321.376 4.505 20 0 DJADMM CCC[C@]1(C)CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000440930491 338399992 /nfs/dbraw/zinc/39/99/92/338399992.db2.gz UQPCCIXSPCQPAP-HXUWFJFHSA-N -1 1 311.425 4.588 20 0 DJADMM CCc1nc(C)c([C@@H](C)N(C)Cc2cccc([O-])c2Cl)s1 ZINC000508725679 340251596 /nfs/dbraw/zinc/25/15/96/340251596.db2.gz MUKIICYRIOEKHU-LLVKDONJSA-N -1 1 324.877 4.566 20 0 DJADMM Cc1c2ccccc2oc1-c1nc2cc(Cl)ccc2c(=O)[n-]1 ZINC000510239259 340293724 /nfs/dbraw/zinc/29/37/24/340293724.db2.gz QZADYYBABRWXBV-UHFFFAOYSA-N -1 1 310.740 4.710 20 0 DJADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@]2(CC=CCC2)C1 ZINC000303529725 340330740 /nfs/dbraw/zinc/33/07/40/340330740.db2.gz FOVNNOGIEGNMLE-OAQYLSRUSA-N -1 1 321.420 4.508 20 0 DJADMM Cc1cccc(Cl)c1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192269147 340565489 /nfs/dbraw/zinc/56/54/89/340565489.db2.gz GJSJOGDEMUTTCT-UHFFFAOYSA-N -1 1 311.168 4.651 20 0 DJADMM CSc1cccc(C)c1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192270821 340565493 /nfs/dbraw/zinc/56/54/93/340565493.db2.gz AYGCADKZCCDFDF-UHFFFAOYSA-N -1 1 322.817 4.720 20 0 DJADMM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000543745533 341056526 /nfs/dbraw/zinc/05/65/26/341056526.db2.gz AQJHKIAJADKTTA-JTQLQIEISA-N -1 1 324.207 4.516 20 0 DJADMM CCS[C@@H](c1nc(-c2ccc([O-])cc2Cl)no1)C(C)C ZINC000445448544 517746870 /nfs/dbraw/zinc/74/68/70/517746870.db2.gz WECCQOBPZSCKPR-GFCCVEGCSA-N -1 1 312.822 4.546 20 0 DJADMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000460438494 333087785 /nfs/dbraw/zinc/08/77/85/333087785.db2.gz QCNQJUNIBHRGTB-UHFFFAOYSA-N -1 1 323.845 4.573 20 0 DJADMM C/C=C/c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000497399303 333246183 /nfs/dbraw/zinc/24/61/83/333246183.db2.gz FNBVBBYBIYRVCM-NSCUHMNNSA-N -1 1 302.761 4.723 20 0 DJADMM CCc1nc(S[C@H](C)c2ccc(Cl)cc2)[n-]c(=O)c1C ZINC000582976647 337222200 /nfs/dbraw/zinc/22/22/00/337222200.db2.gz RZBRXHREWNHUJO-SNVBAGLBSA-N -1 1 308.834 4.560 20 0 DJADMM Cc1cccc2cc(C(=O)Nc3ccc([O-])c(Cl)c3)sc21 ZINC000572439389 337649412 /nfs/dbraw/zinc/64/94/12/337649412.db2.gz YTHIHJVIPDMKDZ-UHFFFAOYSA-N -1 1 317.797 4.821 20 0 DJADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1c1ccsc1 ZINC000436530154 338275426 /nfs/dbraw/zinc/27/54/26/338275426.db2.gz TYXJBXFHLXVKQV-QGZVFWFLSA-N -1 1 323.417 4.584 20 0 DJADMM CCC[C@@]1(C)CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000440926816 338400056 /nfs/dbraw/zinc/40/00/56/338400056.db2.gz ZCKBUTYTJFLXQW-FQEVSTJZSA-N -1 1 311.425 4.588 20 0 DJADMM CC(C)Sc1ccccc1[N-]C(=O)c1cc(C(C)C)no1 ZINC000472559150 339373840 /nfs/dbraw/zinc/37/38/40/339373840.db2.gz GVNFCXJCKZNWNS-UHFFFAOYSA-N -1 1 304.415 4.551 20 0 DJADMM Cc1cc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)nc2ccccc12 ZINC000487500789 339755117 /nfs/dbraw/zinc/75/51/17/339755117.db2.gz JSMURFPSUCRXJZ-UHFFFAOYSA-N -1 1 321.767 4.512 20 0 DJADMM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1cccc([O-])c1Cl ZINC000507089767 340207133 /nfs/dbraw/zinc/20/71/33/340207133.db2.gz VWNAAPGOYYSIIM-JTQLQIEISA-N -1 1 311.759 4.517 20 0 DJADMM C[C@H](c1c(F)cccc1F)N(C)Cc1cccc([O-])c1Cl ZINC000507189129 340211891 /nfs/dbraw/zinc/21/18/91/340211891.db2.gz IQTVYFWQFNUCDC-SNVBAGLBSA-N -1 1 311.759 4.517 20 0 DJADMM Cc1sc2[n-]c([C@H](F)c3ccc(Cl)cc3)nc(=O)c2c1C ZINC000509073526 340260400 /nfs/dbraw/zinc/26/04/00/340260400.db2.gz BFTLYAUDAFOBHY-GFCCVEGCSA-N -1 1 322.792 4.726 20 0 DJADMM C[C@H](CCC(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000509173388 340263029 /nfs/dbraw/zinc/26/30/29/340263029.db2.gz QPZJNASVAJUVJA-GFCCVEGCSA-N -1 1 303.789 4.568 20 0 DJADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccc(Cl)s1 ZINC000176690908 340430333 /nfs/dbraw/zinc/43/03/33/340430333.db2.gz NLZCLYHKRYFBNN-SSDOTTSWSA-N -1 1 316.209 4.503 20 0 DJADMM [O-]c1cccc(CNc2ccccc2N2CCCCC2)c1Cl ZINC000328353944 340784398 /nfs/dbraw/zinc/78/43/98/340784398.db2.gz NSPVHXSSVXBOPA-UHFFFAOYSA-N -1 1 316.832 4.648 20 0 DJADMM C/C=C\c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000497399285 333246161 /nfs/dbraw/zinc/24/61/61/333246161.db2.gz FNBVBBYBIYRVCM-IHWYPQMZSA-N -1 1 302.761 4.723 20 0 DJADMM CCc1nc(S[C@@H](C)c2ccccc2Cl)[n-]c(=O)c1C ZINC000563440370 333606012 /nfs/dbraw/zinc/60/60/12/333606012.db2.gz KYVHNWYFPPPJQK-JTQLQIEISA-N -1 1 308.834 4.560 20 0 DJADMM CC[C@@H](C)n1ncc([N-]c2nc3cc(F)ccc3o2)c1C1CC1 ZINC000534979750 334351815 /nfs/dbraw/zinc/35/18/15/334351815.db2.gz BDHSEAPQICKXJP-SNVBAGLBSA-N -1 1 314.364 4.755 20 0 DJADMM CC[C@H](C)n1ncc([N-]c2nc3cc(F)ccc3o2)c1C1CC1 ZINC000534979741 334351829 /nfs/dbraw/zinc/35/18/29/334351829.db2.gz BDHSEAPQICKXJP-JTQLQIEISA-N -1 1 314.364 4.755 20 0 DJADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2ccc(C(C)C)cc2)n1 ZINC000436201268 338261763 /nfs/dbraw/zinc/26/17/63/338261763.db2.gz AITDJYZTTMMKAR-LBPRGKRZSA-N -1 1 302.443 4.721 20 0 DJADMM CN(CCC1CCCCC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436631598 338280596 /nfs/dbraw/zinc/28/05/96/338280596.db2.gz VTKPEOWTYDZZBX-UHFFFAOYSA-N -1 1 311.425 4.588 20 0 DJADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000436755807 338285790 /nfs/dbraw/zinc/28/57/90/338285790.db2.gz ACEUCQBZSMTENH-ZDUSSCGKSA-N -1 1 323.367 4.518 20 0 DJADMM CC(C)c1csc2[nH]c(-c3ccc([O-])cc3Cl)nc(=O)c12 ZINC000438869882 338354421 /nfs/dbraw/zinc/35/44/21/338354421.db2.gz IODGZPGCYBXKDD-UHFFFAOYSA-N -1 1 320.801 4.546 20 0 DJADMM C[C@H]([NH2+]Cc1cc(O)cc(F)c1)c1cccc(Cl)c1Cl ZINC000472048688 339360817 /nfs/dbraw/zinc/36/08/17/339360817.db2.gz RUINDRAFRFYNRK-VIFPVBQESA-N -1 1 314.187 4.689 20 0 DJADMM Cc1ccc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)cc1 ZINC000498768385 340022892 /nfs/dbraw/zinc/02/28/92/340022892.db2.gz XPHXCTYRVHAKEM-UHFFFAOYSA-N -1 1 312.372 4.566 20 0 DJADMM C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000541887476 340987384 /nfs/dbraw/zinc/98/73/84/340987384.db2.gz UTENRCRTACHVRG-JTQLQIEISA-N -1 1 324.207 4.516 20 0 DJADMM Cc1cc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)c(C)o1 ZINC000546043431 341152586 /nfs/dbraw/zinc/15/25/86/341152586.db2.gz HTLFRGZNCPXXOT-UHFFFAOYSA-N -1 1 316.360 4.879 20 0 DJADMM CC(C)CCc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000561956863 332522328 /nfs/dbraw/zinc/52/23/28/332522328.db2.gz MPYZFIYBCPRLEH-UHFFFAOYSA-N -1 1 319.351 4.511 20 0 DJADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccccc2C(C)C)c1 ZINC000460409965 333080347 /nfs/dbraw/zinc/08/03/47/333080347.db2.gz GADVDNUFEPMUBP-UHFFFAOYSA-N -1 1 317.454 4.734 20 0 DJADMM CCSc1cccc(F)c1[N-]C(=O)c1scnc1C(C)C ZINC000410879805 333602562 /nfs/dbraw/zinc/60/25/62/333602562.db2.gz QNJPONGTRZPWOD-UHFFFAOYSA-N -1 1 324.446 4.770 20 0 DJADMM CSc1cccc(N(C)C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000101835717 334358727 /nfs/dbraw/zinc/35/87/27/334358727.db2.gz WUTSWEUVFNMBFF-UHFFFAOYSA-N -1 1 323.417 4.544 20 0 DJADMM Cc1cc2cc[nH]c2cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000444452182 338473294 /nfs/dbraw/zinc/47/32/94/338473294.db2.gz BLKVHCYPNMQVEY-UHFFFAOYSA-N -1 1 316.360 4.587 20 0 DJADMM CCSc1cccc(F)c1[N-]C(=O)c1sc(CC)nc1C ZINC000362182845 336787016 /nfs/dbraw/zinc/78/70/16/336787016.db2.gz DKOLLUVQCFFERT-UHFFFAOYSA-N -1 1 324.446 4.517 20 0 DJADMM [O-]c1ccc(-c2noc(-c3cccc(C(F)F)c3)n2)c(Cl)c1 ZINC000445447871 337848335 /nfs/dbraw/zinc/84/83/35/337848335.db2.gz IWNHIMJZTZTXAR-UHFFFAOYSA-N -1 1 322.698 4.700 20 0 DJADMM CCc1cc(=O)[n-]c(S[C@@H](CC)c2ccc(Cl)cc2)n1 ZINC000428702480 338058778 /nfs/dbraw/zinc/05/87/78/338058778.db2.gz SCMWKRGUPOLYEV-ZDUSSCGKSA-N -1 1 308.834 4.641 20 0 DJADMM CSc1cccc(N(C)C(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436538769 338276215 /nfs/dbraw/zinc/27/62/15/338276215.db2.gz LBWZHESJERAABD-UHFFFAOYSA-N -1 1 315.438 4.514 20 0 DJADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1c1cccs1 ZINC000436757422 338285711 /nfs/dbraw/zinc/28/57/11/338285711.db2.gz VCILBQBFRVENOY-MRXNPFEDSA-N -1 1 323.417 4.584 20 0 DJADMM C[C@H](c1cccs1)c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436937282 338294655 /nfs/dbraw/zinc/29/46/55/338294655.db2.gz FEKLEIUPCKGHPL-LLVKDONJSA-N -1 1 322.389 4.809 20 0 DJADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccc(F)c(C2CC2)c1 ZINC000439790232 338378295 /nfs/dbraw/zinc/37/82/95/338378295.db2.gz HOYYGXHFLYIRKK-UHFFFAOYSA-N -1 1 320.751 4.706 20 0 DJADMM CC(C)(C(=O)Nc1ccc([O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000440941153 338400108 /nfs/dbraw/zinc/40/01/08/338400108.db2.gz BMSZJJZOEZYHSV-UHFFFAOYSA-N -1 1 324.207 4.615 20 0 DJADMM CC[C@@H](C)c1cc(C(=O)[N-]c2ccccc2SC(C)C)on1 ZINC000472564045 339373928 /nfs/dbraw/zinc/37/39/28/339373928.db2.gz WAOWKHBDYBRFES-GFCCVEGCSA-N -1 1 318.442 4.941 20 0 DJADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cccc2ccsc21 ZINC000486959032 339740197 /nfs/dbraw/zinc/74/01/97/339740197.db2.gz UUDMPYRIZHRCMT-UHFFFAOYSA-N -1 1 318.785 4.904 20 0 DJADMM Cc1cc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)nc2ccccc12 ZINC000487516397 339755478 /nfs/dbraw/zinc/75/54/78/339755478.db2.gz QHXQKTROPHYJID-UHFFFAOYSA-N -1 1 321.767 4.512 20 0 DJADMM CCCOc1ccc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)cc1 ZINC000501067639 340073636 /nfs/dbraw/zinc/07/36/36/340073636.db2.gz IHANAGIJBMYKIX-UHFFFAOYSA-N -1 1 322.408 4.502 20 0 DJADMM Oc1cccc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)c1Cl ZINC000506852831 340202791 /nfs/dbraw/zinc/20/27/91/340202791.db2.gz ZTMPZMPNHVPYFS-MRXNPFEDSA-N -1 1 316.832 4.558 20 0 DJADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(-c2cccs2)o1 ZINC000542168194 340998285 /nfs/dbraw/zinc/99/82/85/340998285.db2.gz OHKCZPFISCMADR-UHFFFAOYSA-N -1 1 319.769 4.619 20 0 DJADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(-c2cccs2)o1 ZINC000542173793 340998469 /nfs/dbraw/zinc/99/84/69/340998469.db2.gz JEMBUWSYYXWDQR-UHFFFAOYSA-N -1 1 319.769 4.619 20 0 DJADMM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000542817607 341021916 /nfs/dbraw/zinc/02/19/16/341021916.db2.gz XHKNFERKIUFCBZ-JTQLQIEISA-N -1 1 324.207 4.516 20 0 DJADMM O=C(CCCCCc1cccs1)Nc1ccc([O-])c(Cl)c1 ZINC000542817576 341021928 /nfs/dbraw/zinc/02/19/28/341021928.db2.gz UXVMZYJAICEEMS-UHFFFAOYSA-N -1 1 323.845 4.849 20 0 DJADMM CCCc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)sc1C ZINC000542818083 341021934 /nfs/dbraw/zinc/02/19/34/341021934.db2.gz NYNZRGHRQYAMRZ-UHFFFAOYSA-N -1 1 309.818 4.620 20 0 DJADMM Cc1c(=O)[n-]c(S[C@@H](C)c2ccccc2)nc1-c1ccccc1 ZINC000132811329 341146162 /nfs/dbraw/zinc/14/61/62/341146162.db2.gz DKDLBHZPHBQQRA-AWEZNQCLSA-N -1 1 322.433 4.599 20 0 DJADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1sccc1Cl ZINC000552161818 341374767 /nfs/dbraw/zinc/37/47/67/341374767.db2.gz XJZQXSIYGXTTBE-UHFFFAOYSA-N -1 1 318.785 4.617 20 0 DJADMM O=C(c1cc2ccccc2cc1[O-])N1CCC2(CCCCC2)CC1 ZINC000324994470 336276546 /nfs/dbraw/zinc/27/65/46/336276546.db2.gz WQOXMIWIEVQHBO-UHFFFAOYSA-N -1 1 323.436 4.732 20 0 DJADMM CCOc1cccc2cc([C@H](C)[N-]c3nc(C(C)C)no3)oc21 ZINC000301353477 336302067 /nfs/dbraw/zinc/30/20/67/336302067.db2.gz WWSXBHVSIKEHKW-NSHDSACASA-N -1 1 315.373 4.511 20 0 DJADMM CCOc1cc(-c2nc(C3CCCCC3)no2)cc(Cl)c1[O-] ZINC000443091869 336422884 /nfs/dbraw/zinc/42/28/84/336422884.db2.gz YMYLVODKSLJFET-UHFFFAOYSA-N -1 1 322.792 4.542 20 0 DJADMM CC/C=C/CCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467197627 337187805 /nfs/dbraw/zinc/18/78/05/337187805.db2.gz PCFNUITUONLYAO-SNAWJCMRSA-N -1 1 300.427 4.606 20 0 DJADMM CCc1nc(S[C@@H](C)c2ccc(Cl)cc2)[n-]c(=O)c1C ZINC000582976639 337222174 /nfs/dbraw/zinc/22/21/74/337222174.db2.gz RZBRXHREWNHUJO-JTQLQIEISA-N -1 1 308.834 4.560 20 0 DJADMM CCN(C(=O)c1ccc2ccccc2c1[O-])c1cccc(C)c1 ZINC000321590931 337278097 /nfs/dbraw/zinc/27/80/97/337278097.db2.gz JDEYFXJNGVVYSJ-UHFFFAOYSA-N -1 1 305.377 4.521 20 0 DJADMM CCN(C(=O)c1cc2ccccc2cc1[O-])c1cccc(C)c1 ZINC000321630383 337280602 /nfs/dbraw/zinc/28/06/02/337280602.db2.gz OEEPVMQYLDLZCR-UHFFFAOYSA-N -1 1 305.377 4.521 20 0 DJADMM CC[C@@H](OC1CCCC1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000420490697 337503144 /nfs/dbraw/zinc/50/31/44/337503144.db2.gz CJRORYDJTHPZPR-CQSZACIVSA-N -1 1 322.792 4.506 20 0 DJADMM [O-]c1ccc(-c2noc([C@H]3CC34CCCCC4)n2)c(Cl)c1 ZINC000445443644 337837647 /nfs/dbraw/zinc/83/76/47/337837647.db2.gz CUXRTOVNGWQUSI-GFCCVEGCSA-N -1 1 304.777 4.533 20 0 DJADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1c1ccsc1 ZINC000436530151 338275275 /nfs/dbraw/zinc/27/52/75/338275275.db2.gz TYXJBXFHLXVKQV-KRWDZBQOSA-N -1 1 323.417 4.584 20 0 DJADMM CO[C@H](C)c1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436790915 338287441 /nfs/dbraw/zinc/28/74/41/338287441.db2.gz HRPGFHWVPIMVBR-CYBMUJFWSA-N -1 1 321.376 4.505 20 0 DJADMM CO[C@@H](C)c1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436792616 338287704 /nfs/dbraw/zinc/28/77/04/338287704.db2.gz OJNFCDIWGCWEFD-ZDUSSCGKSA-N -1 1 321.376 4.505 20 0 DJADMM CC(C)c1ccccc1N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000436855219 338289986 /nfs/dbraw/zinc/28/99/86/338289986.db2.gz IDUSKYPBHQYXDW-UHFFFAOYSA-N -1 1 319.404 4.945 20 0 DJADMM O=C(CC1CC(c2ccccc2)C1)Nc1ccc([O-])c(Cl)c1 ZINC000467471640 339240190 /nfs/dbraw/zinc/24/01/90/339240190.db2.gz BUWZJOAMBZLHHY-UHFFFAOYSA-N -1 1 315.800 4.568 20 0 DJADMM CCSc1cccc(F)c1[N-]C(=O)c1csc(C(C)C)n1 ZINC000484925973 339695693 /nfs/dbraw/zinc/69/56/93/339695693.db2.gz LUKRADABTFPDBI-UHFFFAOYSA-N -1 1 324.446 4.770 20 0 DJADMM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1cccc([O-])c1Cl ZINC000507089768 340207128 /nfs/dbraw/zinc/20/71/28/340207128.db2.gz VWNAAPGOYYSIIM-SNVBAGLBSA-N -1 1 311.759 4.517 20 0 DJADMM O=C(Nc1ccc([O-])c(Cl)c1)c1occc1-c1ccccc1 ZINC000509171201 340263068 /nfs/dbraw/zinc/26/30/68/340263068.db2.gz VLTRYSROMQSNNP-UHFFFAOYSA-N -1 1 313.740 4.558 20 0 DJADMM CC(C)(C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1Cl ZINC000509185041 340263388 /nfs/dbraw/zinc/26/33/88/340263388.db2.gz OAPGNWAACMEBQP-UHFFFAOYSA-N -1 1 324.207 4.615 20 0 DJADMM C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000543745534 341056461 /nfs/dbraw/zinc/05/64/61/341056461.db2.gz AQJHKIAJADKTTA-SNVBAGLBSA-N -1 1 324.207 4.516 20 0 DJADMM CCSc1ccc(Cl)cc1[N-]C(=O)c1ocnc1C1CC1 ZINC000289498710 535738113 /nfs/dbraw/zinc/73/81/13/535738113.db2.gz ZBXCOZWOTFRMNC-UHFFFAOYSA-N -1 1 322.817 4.570 20 0 DJADMM CC[C@H](CC(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000532749798 336269524 /nfs/dbraw/zinc/26/95/24/336269524.db2.gz AGIGXGMHHMDAMN-GFCCVEGCSA-N -1 1 303.789 4.568 20 0 DJADMM C[C@H](c1ccccc1F)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000392215993 337189493 /nfs/dbraw/zinc/18/94/93/337189493.db2.gz QZRCCNGIUWYCHN-CYBMUJFWSA-N -1 1 323.367 4.518 20 0 DJADMM CCCCS[C@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445457517 338018346 /nfs/dbraw/zinc/01/83/46/338018346.db2.gz YMRDZWDBSXUFRX-SECBINFHSA-N -1 1 312.822 4.690 20 0 DJADMM CCc1cc(=O)[n-]c(S[C@H](CC)c2ccc(Cl)cc2)n1 ZINC000428702479 338058784 /nfs/dbraw/zinc/05/87/84/338058784.db2.gz SCMWKRGUPOLYEV-CYBMUJFWSA-N -1 1 308.834 4.641 20 0 DJADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1c1ccsc1 ZINC000436528731 338275266 /nfs/dbraw/zinc/27/52/66/338275266.db2.gz PDGGLEUODQVDCP-KRWDZBQOSA-N -1 1 323.417 4.584 20 0 DJADMM O=C(Nc1ccccc1-c1cccs1)c1cc(F)ccc1[O-] ZINC000436756355 338285826 /nfs/dbraw/zinc/28/58/26/338285826.db2.gz CLGICXJMYBLFIY-UHFFFAOYSA-N -1 1 313.353 4.512 20 0 DJADMM CC(C)c1ccccc1N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000436855811 338290005 /nfs/dbraw/zinc/29/00/05/338290005.db2.gz KDEXZSZJUVRZJR-UHFFFAOYSA-N -1 1 319.404 4.945 20 0 DJADMM Cc1cc2cc(C(=O)Nc3ccc([O-])c(Cl)c3)oc2cc1C ZINC000440780458 338397263 /nfs/dbraw/zinc/39/72/63/338397263.db2.gz QLZUCZJZVSETKE-UHFFFAOYSA-N -1 1 315.756 4.661 20 0 DJADMM Cc1cccc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)c1 ZINC000498765818 340022855 /nfs/dbraw/zinc/02/28/55/340022855.db2.gz PVCVHGHYNOFCIR-UHFFFAOYSA-N -1 1 312.372 4.978 20 0 DJADMM Cc1c2ccccc2oc1-c1nc2ccc(Cl)cc2c(=O)[n-]1 ZINC000510219815 340293065 /nfs/dbraw/zinc/29/30/65/340293065.db2.gz IYMJBSNJHNQPGQ-UHFFFAOYSA-N -1 1 310.740 4.710 20 0 DJADMM O=C(Nc1cccc(C(F)F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000192211337 340564726 /nfs/dbraw/zinc/56/47/26/340564726.db2.gz WVDMFEJRRCPWBH-UHFFFAOYSA-N -1 1 312.703 4.627 20 0 DJADMM O=C(CCCc1ccc(Cl)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000542817179 341021945 /nfs/dbraw/zinc/02/19/45/341021945.db2.gz OENLKILKMPLRPO-UHFFFAOYSA-N -1 1 324.207 4.660 20 0 DJADMM O=C(Nc1ccc([O-])c(Cl)c1)c1csc2ccccc12 ZINC000082192687 341317867 /nfs/dbraw/zinc/31/78/67/341317867.db2.gz YBGFPWOOBDMESZ-UHFFFAOYSA-N -1 1 303.770 4.513 20 0 DJADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1ccccc1Cl ZINC000577785680 341936705 /nfs/dbraw/zinc/93/67/05/341936705.db2.gz XQYWYTVWBQIVOS-SSDOTTSWSA-N -1 1 316.760 4.627 20 0 DJADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1c1cccs1 ZINC000215665180 332195932 /nfs/dbraw/zinc/19/59/32/332195932.db2.gz VAKRTMHRLABXBS-MRXNPFEDSA-N -1 1 323.417 4.584 20 0 DJADMM CC/C=C\CCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000467197626 337187740 /nfs/dbraw/zinc/18/77/40/337187740.db2.gz PCFNUITUONLYAO-PLNGDYQASA-N -1 1 300.427 4.606 20 0 DJADMM CCCCS[C@@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445457520 338018351 /nfs/dbraw/zinc/01/83/51/338018351.db2.gz YMRDZWDBSXUFRX-VIFPVBQESA-N -1 1 312.822 4.690 20 0 DJADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1c1cccs1 ZINC000436757421 338285745 /nfs/dbraw/zinc/28/57/45/338285745.db2.gz VCILBQBFRVENOY-INIZCTEOSA-N -1 1 323.417 4.584 20 0 DJADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1c1ccccc1 ZINC000436757231 338285766 /nfs/dbraw/zinc/28/57/66/338285766.db2.gz UGIMCWZNLXNVGQ-LJQANCHMSA-N -1 1 317.388 4.523 20 0 DJADMM [O-]c1ccc(-c2noc(-c3sccc3C3CC3)n2)c(Cl)c1 ZINC000436871289 338290735 /nfs/dbraw/zinc/29/07/35/338290735.db2.gz JVQCBBFCZKWZNC-UHFFFAOYSA-N -1 1 318.785 4.702 20 0 DJADMM CCCCN(C(=O)c1ccc(Cl)cc1[O-])C1CCCCC1 ZINC000436926244 338293925 /nfs/dbraw/zinc/29/39/25/338293925.db2.gz IYQXYBDYJOLVCV-UHFFFAOYSA-N -1 1 309.837 4.621 20 0 DJADMM CCC[C@@]1(C)CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000440930488 338400008 /nfs/dbraw/zinc/40/00/08/338400008.db2.gz UQPCCIXSPCQPAP-FQEVSTJZSA-N -1 1 311.425 4.588 20 0 DJADMM C[C@@H]([NH2+]Cc1cc(O)cc(F)c1)c1cccc(Cl)c1Cl ZINC000472048687 339360882 /nfs/dbraw/zinc/36/08/82/339360882.db2.gz RUINDRAFRFYNRK-SECBINFHSA-N -1 1 314.187 4.689 20 0 DJADMM Cc1cc2occ(C(=O)Nc3ccc([O-])c(Cl)c3)c2cc1C ZINC000474509188 339418000 /nfs/dbraw/zinc/41/80/00/339418000.db2.gz HLVPPKUDLIUQFV-UHFFFAOYSA-N -1 1 315.756 4.661 20 0 DJADMM [O-]c1ccc(-c2nc3cc(F)ccc3n2C2CC2)cc1Cl ZINC000037440092 340785362 /nfs/dbraw/zinc/78/53/62/340785362.db2.gz FHIIWFOQUVATTB-UHFFFAOYSA-N -1 1 302.736 4.536 20 0 DJADMM CCSc1ccc(Cl)cc1[N-]C(=O)c1sccc1F ZINC000555900769 341491506 /nfs/dbraw/zinc/49/15/06/341491506.db2.gz MTHCKOXVYIAHKW-UHFFFAOYSA-N -1 1 315.822 4.905 20 0 DJADMM CCN(C(=O)c1cc2ccccc2cc1[O-])c1ccccc1C ZINC000319482053 333821271 /nfs/dbraw/zinc/82/12/71/333821271.db2.gz BKZFUHYFINRQNU-UHFFFAOYSA-N -1 1 305.377 4.521 20 0 DJADMM Cc1ccsc1-c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000395522448 336177732 /nfs/dbraw/zinc/17/77/32/336177732.db2.gz JIJRVCQDOCSXOU-UHFFFAOYSA-N -1 1 308.362 4.632 20 0 DJADMM CC(C)c1noc([N-][C@@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC000301346070 336301753 /nfs/dbraw/zinc/30/17/53/336301753.db2.gz SORDDKGCATXXOG-INIZCTEOSA-N -1 1 311.360 4.534 20 0 DJADMM CC(C)c1noc([N-][C@H](c2ccccc2)c2cccc(F)c2)n1 ZINC000301593704 336317106 /nfs/dbraw/zinc/31/71/06/336317106.db2.gz DWXXBFNCBKPGNX-MRXNPFEDSA-N -1 1 311.360 4.534 20 0 DJADMM [O-]c1c(-c2nc(-c3ccc(F)cc3F)no2)ccc2ccccc21 ZINC000436530137 338275363 /nfs/dbraw/zinc/27/53/63/338275363.db2.gz DBSPCTSHMFWBGY-UHFFFAOYSA-N -1 1 324.286 4.541 20 0 DJADMM CSc1ccc(N(C)C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436548194 338276479 /nfs/dbraw/zinc/27/64/79/338276479.db2.gz PTUGROQEICBYOX-UHFFFAOYSA-N -1 1 323.417 4.544 20 0 DJADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@]2(CC=CCC2)C1 ZINC000436549099 338276541 /nfs/dbraw/zinc/27/65/41/338276541.db2.gz WIZHUQPLVKBWKA-OAQYLSRUSA-N -1 1 321.420 4.508 20 0 DJADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC2(CCCCC2)C1 ZINC000436852590 338289842 /nfs/dbraw/zinc/28/98/42/338289842.db2.gz ALLKNNZOHHQHLF-UHFFFAOYSA-N -1 1 323.436 4.732 20 0 DJADMM C[C@@H](c1cccs1)c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436937284 338294555 /nfs/dbraw/zinc/29/45/55/338294555.db2.gz FEKLEIUPCKGHPL-NSHDSACASA-N -1 1 322.389 4.809 20 0 DJADMM O=S(=O)([N-]c1ccsc1)c1ccc(C2CCCCC2)cc1 ZINC000462106635 339072245 /nfs/dbraw/zinc/07/22/45/339072245.db2.gz XSHGBNCRFPFSBW-UHFFFAOYSA-N -1 1 321.467 4.597 20 0 DJADMM CCc1nc(C)c([C@H](C)N(C)Cc2cccc([O-])c2Cl)s1 ZINC000508725680 340251631 /nfs/dbraw/zinc/25/16/31/340251631.db2.gz MUKIICYRIOEKHU-NSHDSACASA-N -1 1 324.877 4.566 20 0 DJADMM CCc1cc2c([n-]c([C@H](F)c3ccc(Cl)cc3)nc2=O)s1 ZINC000509075533 340260471 /nfs/dbraw/zinc/26/04/71/340260471.db2.gz UKSIDMOQQZGLTF-GFCCVEGCSA-N -1 1 322.792 4.672 20 0 DJADMM CCCc1nc(C(=O)[N-]c2cc(Cl)ccc2SCC)co1 ZINC000509525335 340272223 /nfs/dbraw/zinc/27/22/23/340272223.db2.gz HRTYSCBZFLOWJK-UHFFFAOYSA-N -1 1 324.833 4.645 20 0 DJADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(-c2ccccc2)o1 ZINC000544271906 341075740 /nfs/dbraw/zinc/07/57/40/341075740.db2.gz ZMJAMGWYSFQEDF-UHFFFAOYSA-N -1 1 313.740 4.558 20 0 DJADMM O=C(Nc1ccccc1Oc1ccccc1)c1ccc([O-])cc1F ZINC000181847978 333035077 /nfs/dbraw/zinc/03/50/77/333035077.db2.gz YBZALEZBYSTXQT-UHFFFAOYSA-N -1 1 323.323 4.576 20 0 DJADMM Cc1cccc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000460433718 333086650 /nfs/dbraw/zinc/08/66/50/333086650.db2.gz FOAXXMDHGACRIB-UHFFFAOYSA-N -1 1 322.433 4.758 20 0 DJADMM CSc1cccc(N(C)C(=O)c2cc3ccccc3cc2[O-])c1 ZINC000101834783 334358866 /nfs/dbraw/zinc/35/88/66/334358866.db2.gz GDKLWKYBYIMZAO-UHFFFAOYSA-N -1 1 323.417 4.544 20 0 DJADMM [O-]c1cccc(CNc2cccc(C3CCOCC3)c2)c1Cl ZINC000527798152 337764683 /nfs/dbraw/zinc/76/46/83/337764683.db2.gz QNXROZDTFXNIAY-UHFFFAOYSA-N -1 1 317.816 4.552 20 0 DJADMM CCC[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000533081780 337812299 /nfs/dbraw/zinc/81/22/99/337812299.db2.gz HPVVQZBAIJEIIN-CQSZACIVSA-N -1 1 303.789 4.568 20 0 DJADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000436755806 338285799 /nfs/dbraw/zinc/28/57/99/338285799.db2.gz ACEUCQBZSMTENH-CYBMUJFWSA-N -1 1 323.367 4.518 20 0 DJADMM CC[C@H](C)c1cc(C(=O)[N-]c2ccccc2SC(C)C)on1 ZINC000472564046 339373958 /nfs/dbraw/zinc/37/39/58/339373958.db2.gz WAOWKHBDYBRFES-LBPRGKRZSA-N -1 1 318.442 4.941 20 0 DJADMM CCSc1ccc(Cl)cc1[N-]C(=O)c1cc(C2CC2)on1 ZINC000171535183 341779492 /nfs/dbraw/zinc/77/94/92/341779492.db2.gz CCGNUHPHQMJEQC-UHFFFAOYSA-N -1 1 322.817 4.570 20 0 DJADMM O=c1cc(C(F)F)nc(SCc2cccc3ccccc32)[n-]1 ZINC000577544712 341916840 /nfs/dbraw/zinc/91/68/40/341916840.db2.gz BMWIILLCLHODSH-UHFFFAOYSA-N -1 1 318.348 4.565 20 0 DJADMM O=C(Nc1ccc(F)c(Cl)c1)c1cc2ccccc2cc1[O-] ZINC000095564190 185380140 /nfs/dbraw/zinc/38/01/40/185380140.db2.gz GRONZNHPOIATDJ-UHFFFAOYSA-N -1 1 315.731 4.590 20 0 DJADMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000460439517 333087590 /nfs/dbraw/zinc/08/75/90/333087590.db2.gz ZBLVWWOKPIGABH-UHFFFAOYSA-N -1 1 323.845 4.573 20 0 DJADMM O=C(c1ccc2ccccc2c1[O-])N1CCC2(CCCCC2)CC1 ZINC000392115994 336388142 /nfs/dbraw/zinc/38/81/42/336388142.db2.gz PKUNXAUIMGCVLZ-UHFFFAOYSA-N -1 1 323.436 4.732 20 0 DJADMM CCN(C(=O)c1ccc2ccccc2c1[O-])c1ccccc1C ZINC000319808483 337582507 /nfs/dbraw/zinc/58/25/07/337582507.db2.gz KCCOWNYCOWJWBH-UHFFFAOYSA-N -1 1 305.377 4.521 20 0 DJADMM CN(CCC1CCCCC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436629487 338280607 /nfs/dbraw/zinc/28/06/07/338280607.db2.gz JTOCAIITMNOJFP-UHFFFAOYSA-N -1 1 311.425 4.588 20 0 DJADMM Cc1cc(CCCC(=O)Nc2ccc([O-])c(Cl)c2)c(C)s1 ZINC000440015762 338382717 /nfs/dbraw/zinc/38/27/17/338382717.db2.gz XANXZDHPLALXHS-UHFFFAOYSA-N -1 1 323.845 4.685 20 0 DJADMM CC(C)[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccc(F)cc1 ZINC000509181273 340263277 /nfs/dbraw/zinc/26/32/77/340263277.db2.gz VFEDQYBDKCPIBX-INIZCTEOSA-N -1 1 321.779 4.563 20 0 DJADMM CCCn1c2ccc(F)cc2nc1-c1ccc([O-])c(Cl)c1 ZINC000037440054 340785338 /nfs/dbraw/zinc/78/53/38/340785338.db2.gz UCGULIAJTFKCIZ-UHFFFAOYSA-N -1 1 304.752 4.611 20 0 DJADMM CSc1ccc(Cl)cc1[N-]C(=O)c1ccc(Cl)o1 ZINC000064493103 340803751 /nfs/dbraw/zinc/80/37/51/340803751.db2.gz ORDIDHGAIRRLST-UHFFFAOYSA-N -1 1 302.182 4.561 20 0 DJADMM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000542817608 341021955 /nfs/dbraw/zinc/02/19/55/341021955.db2.gz XHKNFERKIUFCBZ-SNVBAGLBSA-N -1 1 324.207 4.516 20 0 DJADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(Cl)sc1Cl ZINC000135906684 341248098 /nfs/dbraw/zinc/24/80/98/341248098.db2.gz IOWDJPHRCUSLOR-UHFFFAOYSA-N -1 1 322.600 4.666 20 0 DJADMM CSc1ccc(Cl)cc1[N-]C(=O)c1sccc1F ZINC000550073818 341309472 /nfs/dbraw/zinc/30/94/72/341309472.db2.gz YURKWEDACCFCKK-UHFFFAOYSA-N -1 1 301.795 4.515 20 0 DJADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2ccccc2s1 ZINC000082193064 341317848 /nfs/dbraw/zinc/31/78/48/341317848.db2.gz SXFBSUNEGROGGH-UHFFFAOYSA-N -1 1 303.770 4.513 20 0 DJADMM CCc1ccc2occ(C(=O)Nc3ccc([O-])c(Cl)c3)c2c1 ZINC000552114635 341370571 /nfs/dbraw/zinc/37/05/71/341370571.db2.gz UHJWXNRVOLWHLG-UHFFFAOYSA-N -1 1 315.756 4.607 20 0 DJADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000565744312 341536873 /nfs/dbraw/zinc/53/68/73/341536873.db2.gz SCLOXHJNNHWXGC-SSDOTTSWSA-N -1 1 316.760 4.627 20 0 DJADMM CCCC(=O)Nc1ccc([O-])c(-c2cc(C)c3ccccc3n2)c1 ZINC000015453945 182003022 /nfs/dbraw/zinc/00/30/22/182003022.db2.gz YJCVNJQBAZGAPG-UHFFFAOYSA-N -1 1 320.392 4.654 20 0 DJADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000460411476 333080960 /nfs/dbraw/zinc/08/09/60/333080960.db2.gz JGPGRBXMZRAFFJ-UHFFFAOYSA-N -1 1 323.845 4.573 20 0 DJADMM CCOc1cccc2cc([C@@H](C)[N-]c3nc(C(C)C)no3)oc21 ZINC000301353476 336302055 /nfs/dbraw/zinc/30/20/55/336302055.db2.gz WWSXBHVSIKEHKW-LLVKDONJSA-N -1 1 315.373 4.511 20 0 DJADMM [O-]c1ccc(-c2noc([C@@H]3CC34CCCCC4)n2)c(Cl)c1 ZINC000445443646 337837691 /nfs/dbraw/zinc/83/76/91/337837691.db2.gz CUXRTOVNGWQUSI-LBPRGKRZSA-N -1 1 304.777 4.533 20 0 DJADMM CSc1ccc(N(C)C(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000436554357 338276900 /nfs/dbraw/zinc/27/69/00/338276900.db2.gz KQVXCOMVZUJFDG-UHFFFAOYSA-N -1 1 323.417 4.544 20 0 DJADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1c1ccccc1 ZINC000436757230 338285696 /nfs/dbraw/zinc/28/56/96/338285696.db2.gz UGIMCWZNLXNVGQ-IBGZPJMESA-N -1 1 317.388 4.523 20 0 DJADMM CCc1nc(S[C@H](C)c2ccccc2Cl)[n-]c(=O)c1C ZINC000563440385 333605957 /nfs/dbraw/zinc/60/59/57/333605957.db2.gz KYVHNWYFPPPJQK-SNVBAGLBSA-N -1 1 308.834 4.560 20 0 DJADMM CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O)cc1[O-] ZINC000192641988 336207879 /nfs/dbraw/zinc/20/78/79/336207879.db2.gz HHWQHOVJENRXLM-UHFFFAOYSA-N -1 1 313.397 4.597 20 0 DJADMM CC[C@@H](CC(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000532749799 336269641 /nfs/dbraw/zinc/26/96/41/336269641.db2.gz AGIGXGMHHMDAMN-LBPRGKRZSA-N -1 1 303.789 4.568 20 0 DJADMM CCSc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000486930977 337087802 /nfs/dbraw/zinc/08/78/02/337087802.db2.gz SKKTUSQXTCQNCH-UHFFFAOYSA-N -1 1 322.817 4.802 20 0 DJADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1c1ccsc1 ZINC000436528737 338275289 /nfs/dbraw/zinc/27/52/89/338275289.db2.gz PDGGLEUODQVDCP-QGZVFWFLSA-N -1 1 323.417 4.584 20 0 DJADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC2(CCCCC2)C1 ZINC000436863972 338290329 /nfs/dbraw/zinc/29/03/29/338290329.db2.gz LXJQKSPNJFJHKI-UHFFFAOYSA-N -1 1 323.436 4.732 20 0 DJADMM CCN(C(=O)c1ccc(C(C)C)cc1[O-])c1ccc2[nH]ccc2c1 ZINC000436884706 338291799 /nfs/dbraw/zinc/29/17/99/338291799.db2.gz GXKPKJAXHXZXCY-UHFFFAOYSA-N -1 1 322.408 4.664 20 0 DJADMM CSc1ccc(C)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000487226137 339746948 /nfs/dbraw/zinc/74/69/48/339746948.db2.gz XENBMSLNXLDJEP-UHFFFAOYSA-N -1 1 322.817 4.720 20 0 DJADMM C[C@@H](c1c(F)cccc1F)N(C)Cc1cccc([O-])c1Cl ZINC000507189128 340211935 /nfs/dbraw/zinc/21/19/35/340211935.db2.gz IQTVYFWQFNUCDC-JTQLQIEISA-N -1 1 311.759 4.517 20 0 DJADMM CC(C)(C)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000509180798 340263229 /nfs/dbraw/zinc/26/32/29/340263229.db2.gz FJZPIBJUQKORSC-UHFFFAOYSA-N -1 1 309.818 4.657 20 0 DJADMM Cc1cc(C)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c(C)c1 ZINC000190908508 340548123 /nfs/dbraw/zinc/54/81/23/340548123.db2.gz OGPIQOXGEBATQL-UHFFFAOYSA-N -1 1 304.777 4.615 20 0 DJADMM Cc1cscc1-c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000316988980 340699462 /nfs/dbraw/zinc/69/94/62/340699462.db2.gz KLRBOCMNLNNRQL-UHFFFAOYSA-N -1 1 308.362 4.632 20 0 DJADMM CCc1nc(C(=O)[N-]c2cc(Cl)ccc2SC(C)C)co1 ZINC000542493295 341010349 /nfs/dbraw/zinc/01/03/49/341010349.db2.gz XDPOITCMFDGPRN-UHFFFAOYSA-N -1 1 324.833 4.643 20 0 DJADMM