smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(F)c1n[nH]c(SCc2ccccc2Cl)n1 ZINC000078406814 177338903 /nfs/dbraw/zinc/33/89/03/177338903.db2.gz KWNLMVMPJKMFEZ-UHFFFAOYSA-N 0 2 293.701 3.769 40 0 CHABLN CCCn1c(CCCCC(=O)[O-])[nH+]c2ccc(Cl)cc21 ZINC000095095715 567909023 /nfs/dbraw/zinc/90/90/23/567909023.db2.gz GYCMWMVCPDBSLR-UHFFFAOYSA-N 0 2 294.782 3.897 40 0 CHABLN CCOC(=O)C=C(O)c1ccc(-c2ccccc2)c(C)c1 ZINC000095728858 185022029 /nfs/dbraw/zinc/02/20/29/185022029.db2.gz UVBPFXNRMVSGPA-UHFFFAOYSA-N 0 2 282.339 3.798 40 0 CHABLN O=C(Nc1cccc2ccccc21)c1cnc(C2CC2)nc1 ZINC000222594039 189732217 /nfs/dbraw/zinc/73/22/17/189732217.db2.gz CMRPBYYWKSFWMI-UHFFFAOYSA-N 0 2 289.338 3.760 40 0 CHABLN CC(C)=CCc1c2occc2c(O)c2ccc(=O)oc21 ZINC000002563652 169809472 /nfs/dbraw/zinc/80/94/72/169809472.db2.gz JLCROWZWGSUEMR-UHFFFAOYSA-N 0 2 270.284 3.754 40 0 biogenic,in-vitro CHABLN CC1=NN(c2ccccc2)C(=S)C1=C(O)c1ccccc1 ZINC000100935104 567914008 /nfs/dbraw/zinc/91/40/08/567914008.db2.gz OFSJYAIKMAHYOV-HNNXBMFYSA-N 0 2 294.379 3.709 40 0 CHABLN CCC[N@H+](CCCC(=O)[O-])c1cccc2ccccc21 ZINC000224986461 570315398 /nfs/dbraw/zinc/31/53/98/570315398.db2.gz WPUACSAIWPBLSQ-UHFFFAOYSA-N 0 2 271.360 3.921 40 0 CHABLN CCC[N@@H+](CCCC(=O)[O-])c1cccc2ccccc21 ZINC000224986461 570315401 /nfs/dbraw/zinc/31/54/01/570315401.db2.gz WPUACSAIWPBLSQ-UHFFFAOYSA-N 0 2 271.360 3.921 40 0 CHABLN O=c1c(O)c(-c2ccc(Cl)cc2)oc2cc(O)ccc12 ZINC000001678812 567841470 /nfs/dbraw/zinc/84/14/70/567841470.db2.gz QODKDHAVNFRNBN-UHFFFAOYSA-N 0 2 288.686 3.525 40 0 CHABLN Cc1ccccc1C1=NN(c2nc3ccccc3o2)C(=O)C1 ZINC000014607858 567943492 /nfs/dbraw/zinc/94/34/92/567943492.db2.gz FROMTGJOWJQUNZ-UHFFFAOYSA-N 0 2 291.310 3.695 40 0 CHABLN Cc1ccccc1-c1cc(=O)n(-c2nc3ccccc3o2)[nH]1 ZINC000014607858 567943494 /nfs/dbraw/zinc/94/34/94/567943494.db2.gz FROMTGJOWJQUNZ-UHFFFAOYSA-N 0 2 291.310 3.695 40 0 CHABLN O=C(Nc1ccc(S)cc1)c1ccc(Cl)cc1 ZINC000016401081 567933867 /nfs/dbraw/zinc/93/38/67/567933867.db2.gz QZKCSEJIUOKBRH-UHFFFAOYSA-N 0 2 263.749 3.881 40 0 CHABLN [NH3+]c1ccc(Nc2cccc3ccccc32)c(C(=O)[O-])c1 ZINC000037930237 260121402 /nfs/dbraw/zinc/12/14/02/260121402.db2.gz MWPAVFPKBMSAPA-UHFFFAOYSA-N 0 2 278.311 3.864 40 0 CHABLN CC1=NN(c2ccc(F)cc2)C(=O)C1Cc1ccccc1 ZINC000014162659 567868299 /nfs/dbraw/zinc/86/82/99/567868299.db2.gz BOXDHNFAUPVCPF-UHFFFAOYSA-N 0 2 282.318 3.616 40 0 CHABLN CC1=NN(c2ccccc2)C(=S)C1=C(O)c1ccccc1 ZINC000100935105 567914065 /nfs/dbraw/zinc/91/40/65/567914065.db2.gz OFSJYAIKMAHYOV-OAHLLOKOSA-N 0 2 294.379 3.709 40 0 CHABLN Cc1ccccc1C1=NN(c2ccc(F)cc2)C(=O)C1 ZINC000009937426 170391716 /nfs/dbraw/zinc/39/17/16/170391716.db2.gz NJGMSTMPMDAFHR-UHFFFAOYSA-N 0 2 268.291 3.692 40 0 CHABLN c1ccc(-c2nc(Nc3ncccn3)nc3ccccc32)cc1 ZINC000020799838 171272824 /nfs/dbraw/zinc/27/28/24/171272824.db2.gz KUHLTCCIPWUDPY-UHFFFAOYSA-N 0 2 299.337 3.830 40 0 CHABLN CCn1c(CCCCC(=O)[O-])[nH+]c2cc(Cl)ccc21 ZINC000037440132 173210363 /nfs/dbraw/zinc/21/03/63/173210363.db2.gz YIBAXHIUWVDYNN-UHFFFAOYSA-N 0 2 280.755 3.507 40 0 CHABLN COc1ccc2c(c1)[C@H]1O[C@@H](C)CC[C@@H]1C(C)(C)O2 ZINC000257325040 190034396 /nfs/dbraw/zinc/03/43/96/190034396.db2.gz WREWIIIBBLFJDV-VZJVUDMVSA-N 0 2 262.349 3.722 40 0 CHABLN CCn1c(CCCCC(=O)[O-])[nH+]c2cccc(Cl)c21 ZINC000037443399 173212195 /nfs/dbraw/zinc/21/21/95/173212195.db2.gz HRDPRAQVDBSQOZ-UHFFFAOYSA-N 0 2 280.755 3.507 40 0 CHABLN CCC[N@H+](CCCC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000224985974 570315225 /nfs/dbraw/zinc/31/52/25/570315225.db2.gz JCBFDIHZAMSMPV-UHFFFAOYSA-N 0 2 263.381 3.891 40 0 CHABLN CCC[N@@H+](CCCC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000224985974 570315229 /nfs/dbraw/zinc/31/52/29/570315229.db2.gz JCBFDIHZAMSMPV-UHFFFAOYSA-N 0 2 263.381 3.891 40 0 CHABLN O=c1cc(C(F)(F)F)nc2cc(Cl)[nH]c(Cl)c1-2 ZINC000252485532 567047001 /nfs/dbraw/zinc/04/70/01/567047001.db2.gz GXSRYRRUXQNQJC-UHFFFAOYSA-N 0 2 283.036 3.661 40 0 CHABLN Cc1cccc(NC(=O)Nc2ccc(S)cc2)c1 ZINC000016349694 567872702 /nfs/dbraw/zinc/87/27/02/567872702.db2.gz WLUYHBMIWOMCOV-UHFFFAOYSA-N 0 2 258.346 3.928 40 0 CHABLN CCCCc1ccc([N@H+](CC)CCCC(=O)[O-])cc1 ZINC000225003759 567952153 /nfs/dbraw/zinc/95/21/53/567952153.db2.gz NOYOKEZEUYZABM-UHFFFAOYSA-N 0 2 263.381 3.720 40 0 CHABLN CCCCc1ccc([N@@H+](CC)CCCC(=O)[O-])cc1 ZINC000225003759 567952155 /nfs/dbraw/zinc/95/21/55/567952155.db2.gz NOYOKEZEUYZABM-UHFFFAOYSA-N 0 2 263.381 3.720 40 0 CHABLN CCCCc1nc(Nc2ccccc2C(=O)[O-])cc(C)[nH+]1 ZINC000008702967 170347979 /nfs/dbraw/zinc/34/79/79/170347979.db2.gz UDXQFEYPCHDPJQ-UHFFFAOYSA-N 0 2 285.347 3.569 40 0 CHABLN O=C([O-])c1ccccc1-c1ccc(CNc2cccc[nH+]2)o1 ZINC000257236697 190017545 /nfs/dbraw/zinc/01/75/45/190017545.db2.gz HDGPTYGPXGROQG-UHFFFAOYSA-N 0 2 294.310 3.652 40 0 CHABLN COc1ccc(NC(=S)Nc2ccccc2S)cc1 ZINC000005550134 170112069 /nfs/dbraw/zinc/11/20/69/170112069.db2.gz KONBRJKMGVZXKZ-UHFFFAOYSA-N 0 2 290.413 3.793 40 0 CHABLN CC1=NN(c2ccccc2)C(=O)[C@H]1Cc1ccc(Cl)cc1 ZINC000100998737 567914310 /nfs/dbraw/zinc/91/43/10/567914310.db2.gz RHLPSTLAMLIWBZ-INIZCTEOSA-N 0 2 298.773 3.921 40 0 CHABLN Cc1cc(C)c(NS(=O)(=O)c2ccc(F)s2)c(C)c1 ZINC000225387802 567929044 /nfs/dbraw/zinc/92/90/44/567929044.db2.gz PQORUCIGJIALND-UHFFFAOYSA-N 0 2 299.392 3.613 40 0 CHABLN CC(C)c1c(=O)c2cc(F)ccc2[nH]c1C(F)F ZINC000685937925 570389540 /nfs/dbraw/zinc/38/95/40/570389540.db2.gz BETZCJGEFKSKAM-UHFFFAOYSA-N 0 2 255.239 3.728 40 0 CHABLN O=C([O-])c1cccc(Nc2cc[nH+]c3cc(F)ccc23)c1 ZINC000064874567 570392992 /nfs/dbraw/zinc/39/29/92/570392992.db2.gz NLDGPPILTOTZEC-UHFFFAOYSA-N 0 2 282.274 3.816 40 0 CHABLN O=C1CC(c2ccc(F)cc2)=NN1c1ccc(F)cc1 ZINC000009937408 170391642 /nfs/dbraw/zinc/39/16/42/170391642.db2.gz UCLFFNJJGUBBGZ-UHFFFAOYSA-N 0 2 272.254 3.523 40 0 CHABLN C[C@@H]1[C@@H](C)CCC[C@@H]1n1c[nH+]c2cc(C(=O)[O-])ccc21 ZINC000003913518 567854679 /nfs/dbraw/zinc/85/46/79/567854679.db2.gz JFJGSDXMDSYRFY-WDMOLILDSA-N 0 2 272.348 3.732 40 0 CHABLN O=c1cc(-c2ccc(Cl)cc2)oc2cc(O)cc(O)c12 ZINC000006536308 170211413 /nfs/dbraw/zinc/21/14/13/170211413.db2.gz WBVTVCBOVVJLDX-UHFFFAOYSA-N 0 2 288.686 3.525 40 0 CHABLN O=c1cc(O)cc2oc(-c3ccc(Cl)cc3)cc(O)c1-2 ZINC000006536308 170211414 /nfs/dbraw/zinc/21/14/14/170211414.db2.gz WBVTVCBOVVJLDX-UHFFFAOYSA-N 0 2 288.686 3.525 40 0 CHABLN CC1=NN(c2ccccc2)C(=O)[C@@H]1Cc1ccc(Cl)cc1 ZINC000016607827 567873234 /nfs/dbraw/zinc/87/32/34/567873234.db2.gz RHLPSTLAMLIWBZ-MRXNPFEDSA-N 0 2 298.773 3.921 40 0 CHABLN O=C([O-])c1ccc(Nc2cc[nH+]c3cc(F)ccc23)cc1 ZINC000064874564 570392974 /nfs/dbraw/zinc/39/29/74/570392974.db2.gz QJIJAMGPDVSBIJ-UHFFFAOYSA-N 0 2 282.274 3.816 40 0 CHABLN CCCCc1nc(Nc2ccc(C(=O)[O-])cc2)cc(C)[nH+]1 ZINC000008702969 170347954 /nfs/dbraw/zinc/34/79/54/170347954.db2.gz ZQLPNDDBXFRXLD-UHFFFAOYSA-N 0 2 285.347 3.569 40 0 CHABLN Cc1ccc(NC(=O)Nc2ccc(S)cc2)cc1 ZINC000016293104 567872595 /nfs/dbraw/zinc/87/25/95/567872595.db2.gz PXVHEWKCKOJESS-UHFFFAOYSA-N 0 2 258.346 3.928 40 0 CHABLN O=C([O-])c1ccccc1Nc1cc[nH+]c2ccc(F)cc12 ZINC000040784765 567891032 /nfs/dbraw/zinc/89/10/32/567891032.db2.gz YDJYDKLPQZRNDJ-UHFFFAOYSA-N 0 2 282.274 3.816 40 0 CHABLN CCOc1ccccc1NC(=O)Cc1ccc(OC)c(C)c1 ZINC000225813885 189765123 /nfs/dbraw/zinc/76/51/23/189765123.db2.gz NRIBXYDVUKVMDN-UHFFFAOYSA-N 0 2 299.370 3.584 40 0 CHABLN CC(C)=CCc1c(O)cc(O)c(C(=O)c2ccccc2)c1O ZINC000087493013 570253932 /nfs/dbraw/zinc/25/39/32/570253932.db2.gz WKFZVPVRFGJMEY-UHFFFAOYSA-N 0 2 298.338 3.543 40 0 biogenic CHABLN COc1ccccc1-c1cc(=O)n(-c2ccc(C)c(C)c2)[nH]1 ZINC000009937214 170391692 /nfs/dbraw/zinc/39/16/92/170391692.db2.gz SVPMCDSKNNAQPS-UHFFFAOYSA-N 0 2 294.354 3.870 40 0 CHABLN Cc1ccc(N2N=C(c3ccc(F)cc3)CC2=O)cc1 ZINC000010157354 170399064 /nfs/dbraw/zinc/39/90/64/170399064.db2.gz VLFSOUGTMPVCGS-UHFFFAOYSA-N 0 2 268.291 3.692 40 0 CHABLN On1c(-c2ccccc2)nc2ccccc2c1=S ZINC000001650172 567840089 /nfs/dbraw/zinc/84/00/89/567840089.db2.gz KNLKNECMXAABMH-UHFFFAOYSA-N 0 2 254.314 3.670 40 0 CHABLN O=c1[nH]c2c(Cl)cccc2c(O)c1-c1ccccc1 ZINC000002506099 567941520 /nfs/dbraw/zinc/94/15/20/567941520.db2.gz IUEJWFNDXKJEHC-UHFFFAOYSA-N 0 2 271.703 3.554 40 0 CHABLN COc1ccccc1-c1cc(=O)n(-c2ccccc2C)[nH]1 ZINC000009937121 170391776 /nfs/dbraw/zinc/39/17/76/170391776.db2.gz BFAZBBJFLQUHJH-UHFFFAOYSA-N 0 2 280.327 3.562 40 0 CHABLN CC(=O)Nc1ccc(OCc2ccccc2)c(S)c1 ZINC000022051031 171350696 /nfs/dbraw/zinc/35/06/96/171350696.db2.gz RAEVGIDMILXZIH-UHFFFAOYSA-N 0 2 273.357 3.513 40 0 CHABLN O=C(NC(=O)c1ccccc1)Oc1cccc2ccccc21 ZINC000001719902 567842634 /nfs/dbraw/zinc/84/26/34/567842634.db2.gz BSPNIIWSOVAZAD-UHFFFAOYSA-N 0 2 291.306 3.769 40 0 CHABLN Cc1cccc(N2N=C(c3ccc(F)cc3)CC2=O)c1 ZINC000010157375 170398873 /nfs/dbraw/zinc/39/88/73/170398873.db2.gz UBMPTWXKOYZBAT-UHFFFAOYSA-N 0 2 268.291 3.692 40 0 CHABLN O=C1CC(c2ccc(F)cc2)=NN1c1nc2ccccc2o1 ZINC000014607839 567943544 /nfs/dbraw/zinc/94/35/44/567943544.db2.gz UGKVBVZSSQEOAB-UHFFFAOYSA-N 0 2 295.273 3.525 40 0 CHABLN O=c1cc(-c2ccc(F)cc2)[nH]n1-c1nc2ccccc2o1 ZINC000014607839 567943545 /nfs/dbraw/zinc/94/35/45/567943545.db2.gz UGKVBVZSSQEOAB-UHFFFAOYSA-N 0 2 295.273 3.525 40 0 CHABLN CCCn1c(CCCCC(=O)[O-])[nH+]c2cccc(Cl)c21 ZINC000037443430 173212199 /nfs/dbraw/zinc/21/21/99/173212199.db2.gz GSTITPPNXRIQHX-UHFFFAOYSA-N 0 2 294.782 3.897 40 0 CHABLN O=c1cc(C(F)F)[nH]c2c(Br)cccc12 ZINC000061629445 1120225513 /nfs/dbraw/zinc/22/55/13/1120225513.db2.gz KOQNZUHBBUOISM-UHFFFAOYSA-N 0 2 274.064 3.641 40 0 CHABLN CCCCc1nc(Nc2cccc(C(=O)[O-])c2)cc(C)[nH+]1 ZINC000008702968 170347771 /nfs/dbraw/zinc/34/77/71/170347771.db2.gz XLKFZKFAPKEZFZ-UHFFFAOYSA-N 0 2 285.347 3.569 40 0 CHABLN N=c1[nH]nc(/C(=C/c2ccccc2)c2ccccc2)s1 ZINC000408718129 260028033 /nfs/dbraw/zinc/02/80/33/260028033.db2.gz KYYUQKBKUPAHNA-SDNWHVSQSA-N 0 2 279.368 3.540 40 0 CHABLN O=c1c(Br)c(C(F)F)[nH]c2ccccc12 ZINC000096529312 567910167 /nfs/dbraw/zinc/91/01/67/567910167.db2.gz CTWZTTJCWVJDBA-UHFFFAOYSA-N 0 2 274.064 3.641 40 0 CHABLN CC1=NN(c2ccccc2C)C(=O)C1CCc1ccccc1 ZINC000009938076 170391604 /nfs/dbraw/zinc/39/16/04/170391604.db2.gz PEBGNYKYTBOSCF-UHFFFAOYSA-N 0 2 292.382 3.980 40 0 CHABLN Oc1c(Cl)cc(Br)cc1C(F)(F)F ZINC000090413790 567907723 /nfs/dbraw/zinc/90/77/23/567907723.db2.gz IJRWMQHKKATCDQ-UHFFFAOYSA-N 0 2 275.451 3.827 40 0 CHABLN COc1ccccc1-c1cc(=O)n(-c2cccc(C)c2)[nH]1 ZINC000010157378 170399079 /nfs/dbraw/zinc/39/90/79/170399079.db2.gz GIINLMZREVYFMZ-UHFFFAOYSA-N 0 2 280.327 3.562 40 0 CHABLN CSC(=S)Nc1ccc(NC(=S)SC)cc1 ZINC000003622489 570279246 /nfs/dbraw/zinc/27/92/46/570279246.db2.gz LCYNNKKLPFFRDE-UHFFFAOYSA-N 0 2 288.488 3.806 40 0 CHABLN CCCn1c(CCCCC(=O)[O-])[nH+]c2cc(Cl)ccc21 ZINC000037440155 173210045 /nfs/dbraw/zinc/21/00/45/173210045.db2.gz CQMBJMUGFMTXFQ-UHFFFAOYSA-N 0 2 294.782 3.897 40 0 CHABLN O=C([O-])c1cccc(Nc2cc[nH+]c3ccc(F)cc23)c1 ZINC000026507768 567063365 /nfs/dbraw/zinc/06/33/65/567063365.db2.gz RZXVEZGCJJNXMC-UHFFFAOYSA-N 0 2 282.274 3.816 40 0 CHABLN S=C(Nc1ccccc1)Nc1ccc(S)cc1 ZINC000016490021 567872939 /nfs/dbraw/zinc/87/29/39/567872939.db2.gz XMEHXUJJFJOGAZ-UHFFFAOYSA-N 0 2 260.387 3.784 40 0 CHABLN CCc1cccc(C)c1NS(=O)(=O)c1ccc(F)s1 ZINC000225387744 567929081 /nfs/dbraw/zinc/92/90/81/567929081.db2.gz IPACCQGOHGNUSC-UHFFFAOYSA-N 0 2 299.392 3.559 40 0 CHABLN Cc1ccccc1N1N=C(c2ccc(F)cc2)CC1=O ZINC000010157397 170399383 /nfs/dbraw/zinc/39/93/83/170399383.db2.gz JGHQFUJYUZCOSA-UHFFFAOYSA-N 0 2 268.291 3.692 40 0 CHABLN CC(C)c1ccccc1NS(=O)(=O)c1ccc(F)s1 ZINC000252492146 566867424 /nfs/dbraw/zinc/86/74/24/566867424.db2.gz MEEHIOAOYPTFDN-UHFFFAOYSA-N 0 2 299.392 3.811 40 0 CHABLN Cc1ccc(NC(=O)Nc2ccccc2S)cc1 ZINC000016293112 567872428 /nfs/dbraw/zinc/87/24/28/567872428.db2.gz AEDDGKUASWQYRT-UHFFFAOYSA-N 0 2 258.346 3.928 40 0 CHABLN Cc1ccc2[nH]c(C(F)(F)Br)cc(=O)c2c1 ZINC000068591445 567901170 /nfs/dbraw/zinc/90/11/70/567901170.db2.gz KQNNQOZKCKJNDK-UHFFFAOYSA-N 0 2 288.091 3.693 40 0 CHABLN Cc1ccccc1C1=NN(c2ccccc2C)C(=O)C1 ZINC000009937118 170391391 /nfs/dbraw/zinc/39/13/91/170391391.db2.gz YWOAPDXWRINGET-UHFFFAOYSA-N 0 2 264.328 3.862 40 0 CHABLN COc1ccccc1-c1cc(=O)n(-c2ccc(C)cc2)[nH]1 ZINC000010157356 170398881 /nfs/dbraw/zinc/39/88/81/170398881.db2.gz BNRWRBCDXZHCNI-UHFFFAOYSA-N 0 2 280.327 3.562 40 0 CHABLN CC[N@H+](CCCC(=O)[O-])c1cccc2ccccc21 ZINC000020433380 171198690 /nfs/dbraw/zinc/19/86/90/171198690.db2.gz WIWVWKBVHCTJNR-UHFFFAOYSA-N 0 2 257.333 3.531 40 0 CHABLN CC[N@@H+](CCCC(=O)[O-])c1cccc2ccccc21 ZINC000020433380 171198691 /nfs/dbraw/zinc/19/86/91/171198691.db2.gz WIWVWKBVHCTJNR-UHFFFAOYSA-N 0 2 257.333 3.531 40 0 CHABLN COc1ccc(N2N=C(c3ccccc3C)CC2=O)cc1 ZINC000009939695 170391591 /nfs/dbraw/zinc/39/15/91/170391591.db2.gz XFBVBEMEISOTHO-UHFFFAOYSA-N 0 2 280.327 3.562 40 0 CHABLN O=C(Nc1ccc(S)cc1)Nc1cccc(F)c1 ZINC000035586122 172285007 /nfs/dbraw/zinc/28/50/07/172285007.db2.gz JVJLVMYTRTVMCB-UHFFFAOYSA-N 0 2 262.309 3.758 40 0 CHABLN CCOC(=O)C=C(O)c1ccc(Oc2ccccc2)cc1 ZINC000002575931 570370969 /nfs/dbraw/zinc/37/09/69/570370969.db2.gz CAXNCSRMNJVMKD-UHFFFAOYSA-N 0 2 284.311 3.615 40 0 CHABLN O=c1c(-c2ccccc2)c(O)[nH]c2cccc(Cl)c12 ZINC000685936965 570388944 /nfs/dbraw/zinc/38/89/44/570388944.db2.gz FJHXZTZSUNJVKF-UHFFFAOYSA-N 0 2 271.703 3.966 40 0 CHABLN Cc1cccc(N2N=C(c3ccccc3C)CC2=O)c1 ZINC000010157377 170399169 /nfs/dbraw/zinc/39/91/69/170399169.db2.gz CQBLLUSAGNRXRK-UHFFFAOYSA-N 0 2 264.328 3.862 40 0 CHABLN CCSc1ccccc1NS(=O)(=O)c1cccs1 ZINC000048655673 567892694 /nfs/dbraw/zinc/89/26/94/567892694.db2.gz SGBAMKMNHSLDPI-UHFFFAOYSA-N 0 2 299.442 3.661 40 0 CHABLN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2=C(O)c1ccccc1 ZINC000038955096 174160562 /nfs/dbraw/zinc/16/05/62/174160562.db2.gz IVDVAMTYPIOUEQ-IGCXYCKISA-N 0 2 256.345 3.511 40 0 CHABLN COc1ccccc1N1N=C(c2ccccc2C)CC1=O ZINC000009939841 170391610 /nfs/dbraw/zinc/39/16/10/170391610.db2.gz SQHKWSHYQITHPJ-UHFFFAOYSA-N 0 2 280.327 3.562 40 0 CHABLN C[C@H]1[C@H](n2c[nH+]c3cc(C(=O)[O-])ccc32)CCC[C@@H]1C ZINC000003018321 567851338 /nfs/dbraw/zinc/85/13/38/567851338.db2.gz JFJGSDXMDSYRFY-MISXGVKJSA-N 0 2 272.348 3.732 40 0 CHABLN FC(F)(F)c1n[nH]c(SCc2cccc(Cl)c2)n1 ZINC000216926885 570347897 /nfs/dbraw/zinc/34/78/97/570347897.db2.gz JDRFAGPPESQYDZ-UHFFFAOYSA-N 0 2 293.701 3.769 40 0 CHABLN Cc1ccccc1C1=NN(c2ccccc2)C(=O)C1 ZINC000010157334 170398937 /nfs/dbraw/zinc/39/89/37/170398937.db2.gz PHNXTWDFBRLZFV-UHFFFAOYSA-N 0 2 250.301 3.553 40 0 CHABLN O=C([O-])c1ccc(Nc2cc[nH+]c3ccc(F)cc23)cc1 ZINC000026507728 567062836 /nfs/dbraw/zinc/06/28/36/567062836.db2.gz FAWHEGYCBVKJDY-UHFFFAOYSA-N 0 2 282.274 3.816 40 0 CHABLN CSC(=S)Nc1ccccc1Br ZINC000036644050 567889864 /nfs/dbraw/zinc/88/98/64/567889864.db2.gz GSTPYBGIJKUTGZ-UHFFFAOYSA-N 0 2 262.197 3.509 40 0 CHABLN Cc1ccc(C2=NN(c3nc4ccccc4o3)C(=O)C2)cc1 ZINC000014607841 567943418 /nfs/dbraw/zinc/94/34/18/567943418.db2.gz QYPSAEMDEFZFMJ-UHFFFAOYSA-N 0 2 291.310 3.695 40 0 CHABLN Cc1ccc(-c2cc(=O)n(-c3nc4ccccc4o3)[nH]2)cc1 ZINC000014607841 567943420 /nfs/dbraw/zinc/94/34/20/567943420.db2.gz QYPSAEMDEFZFMJ-UHFFFAOYSA-N 0 2 291.310 3.695 40 0 CHABLN