smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H](NC(=O)C(F)(F)c1c(F)cccc1F)c1nn[nH]n1 ZINC000270386854 256130023 /nfs/dbraw/zinc/13/00/23/256130023.db2.gz HGDRVBYDMQIVDU-SECBINFHSA-N -2 2 331.273 2.227 20 0 EEADLL C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](Cc2ccsc2C(=O)[O-])C1 ZINC001604589326 1350965826 /nfs/dbraw/zinc/96/58/26/1350965826.db2.gz NAADCRHIBZCUMG-LBPRGKRZSA-N -2 2 336.335 2.089 20 0 EEADLL Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C(=O)[O-] ZINC000438720871 242045098 /nfs/dbraw/zinc/04/50/98/242045098.db2.gz ZCGYYSJFNVPKHB-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL CCC[C@H](NC(=O)c1cc(Cl)c(O)c(OCC)c1)c1nn[nH]n1 ZINC000186854485 464074346 /nfs/dbraw/zinc/07/43/46/464074346.db2.gz LBPDWNXSENAUHS-JTQLQIEISA-N -2 2 339.783 2.229 20 0 EEADLL Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833741952 605127491 /nfs/dbraw/zinc/12/74/91/605127491.db2.gz XNCZBFLIQBZJDF-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL COc1ncccc1S(=O)(=O)Nc1cc(O)c(Cl)cc1F ZINC001194710768 1283267984 /nfs/dbraw/zinc/26/79/84/1283267984.db2.gz COUOOOJPBAQSMI-UHFFFAOYSA-N -2 2 332.740 2.389 20 0 EEADLL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000314668148 963787116 /nfs/dbraw/zinc/78/71/16/963787116.db2.gz GCPMWRVKGBAWKE-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL Cc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1C(=O)[O-] ZINC000738736784 577182162 /nfs/dbraw/zinc/18/21/62/577182162.db2.gz WHGVNEHDMWRSSI-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL COc1ccc(O)c(S(=O)(=O)Nc2ccc(OC)c(F)c2)c1 ZINC000342776204 161090093 /nfs/dbraw/zinc/09/00/93/161090093.db2.gz IMTXZZSHKYRAJM-UHFFFAOYSA-N -2 2 327.333 2.349 20 0 EEADLL O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001602365909 1350504940 /nfs/dbraw/zinc/50/49/40/1350504940.db2.gz HZPRHCHDDXPKET-UHFFFAOYSA-N -2 2 339.300 2.023 20 0 EEADLL CCC[C@@H](NC(=O)c1cc(Cl)c(O)c(OCC)c1)c1nn[nH]n1 ZINC000186854504 464073668 /nfs/dbraw/zinc/07/36/68/464073668.db2.gz LBPDWNXSENAUHS-SNVBAGLBSA-N -2 2 339.783 2.229 20 0 EEADLL O=S(=O)(Cc1nc(-c2cccs2)n[nH]1)c1nc2ccccc2[nH]1 ZINC000195010164 463974753 /nfs/dbraw/zinc/97/47/53/463974753.db2.gz VNYBEDYLALTIPA-UHFFFAOYSA-N -2 2 345.409 2.383 20 0 EEADLL Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc(C(=O)[O-])c1 ZINC001600283938 1350010745 /nfs/dbraw/zinc/01/07/45/1350010745.db2.gz FBWMCHXOGQTDMR-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL NC(=O)c1cc(O)cc(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC001259470296 1319585782 /nfs/dbraw/zinc/58/57/82/1319585782.db2.gz GXDOPSIJVJAWDN-UHFFFAOYSA-N -2 2 344.751 2.084 20 0 EEADLL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)s1 ZINC000314642522 963783112 /nfs/dbraw/zinc/78/31/12/963783112.db2.gz CECGCXCJBNCIJK-UHFFFAOYSA-N -2 2 345.329 2.084 20 0 EEADLL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2nn[nH]c2c1 ZINC000426291570 241253109 /nfs/dbraw/zinc/25/31/09/241253109.db2.gz CAYCTIQYGNYKAP-UHFFFAOYSA-N -2 2 346.368 2.019 20 0 EEADLL Cc1c[nH]c2nc(NC3([P@@](=O)([O-])O)Cc4ccccc4C3)[nH+]cc12 ZINC001167934985 780991507 /nfs/dbraw/zinc/99/15/07/780991507.db2.gz YTEDWULYHOEBSB-UHFFFAOYSA-N -2 2 344.311 2.303 20 0 EEADLL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])s1 ZINC001608913346 1351792355 /nfs/dbraw/zinc/79/23/55/1351792355.db2.gz FJQBYBLOFUZAHW-UHFFFAOYSA-N -2 2 345.329 2.084 20 0 EEADLL CCC[C@H](NC(=O)C(F)(F)c1c(F)cccc1F)c1nn[nH]n1 ZINC000270386857 256129920 /nfs/dbraw/zinc/12/99/20/256129920.db2.gz HGDRVBYDMQIVDU-VIFPVBQESA-N -2 2 331.273 2.227 20 0 EEADLL Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc(C(=O)[O-])c1 ZINC000350510582 539874529 /nfs/dbraw/zinc/87/45/29/539874529.db2.gz DEWSWJIXKIQIKS-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832919650 602115684 /nfs/dbraw/zinc/11/56/84/602115684.db2.gz SBXXOLAWCOPPFL-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL O=C([O-])c1csc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000833343387 602116664 /nfs/dbraw/zinc/11/66/64/602116664.db2.gz CJNGSKIZSUCFFT-UHFFFAOYSA-N -2 2 345.329 2.084 20 0 EEADLL CC(C)OC(=O)N1CCC(Oc2nc3nc[nH]c3c(=S)[nH]2)CC1 ZINC001226781254 1301551803 /nfs/dbraw/zinc/55/18/03/1301551803.db2.gz YWSBDQRIJKHOHD-UHFFFAOYSA-N -2 2 337.405 2.030 20 0 EEADLL Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(c3cc(C(=O)[O-])on3)CC2)n1 ZINC001571201803 962371543 /nfs/dbraw/zinc/37/15/43/962371543.db2.gz YOBJBMIMINSNOW-SNVBAGLBSA-N -2 2 332.360 2.117 20 0 EEADLL O=[P@]([O-])(O)C1(Nc2[nH+]cnc3[nH]ccc32)Cc2ccccc2C1 ZINC001167933922 780985361 /nfs/dbraw/zinc/98/53/61/780985361.db2.gz OKUYYQYLYYODDA-UHFFFAOYSA-N -2 2 330.284 2.043 20 0 EEADLL O=C([O-])c1sccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000740144337 578082664 /nfs/dbraw/zinc/08/26/64/578082664.db2.gz OOPGRUGOGWFGQV-UHFFFAOYSA-N -2 2 345.329 2.084 20 0 EEADLL O=C([O-])c1csc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000833343836 602118319 /nfs/dbraw/zinc/11/83/19/602118319.db2.gz RTCLPLGNVWXYDB-UHFFFAOYSA-N -2 2 345.329 2.084 20 0 EEADLL Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)sc1C(=O)[O-] ZINC000055548556 463330864 /nfs/dbraw/zinc/33/08/64/463330864.db2.gz YTFGGMWCYDBVJT-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1C(=O)[O-] ZINC000342971850 465424461 /nfs/dbraw/zinc/42/44/61/465424461.db2.gz MQUADEGRRDLSJQ-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL O=C(Nc1nc[nH]c(=O)c1Br)c1ccc(O)c(F)c1 ZINC001186209221 1279006301 /nfs/dbraw/zinc/00/63/01/1279006301.db2.gz RTPNNTYALPTHOK-UHFFFAOYSA-N -2 2 328.097 2.042 20 0 EEADLL O=C([O-])c1csc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC000032596918 463383356 /nfs/dbraw/zinc/38/33/56/463383356.db2.gz DCYDCJSGCMYBJW-UHFFFAOYSA-N -2 2 345.329 2.084 20 0 EEADLL O=C([O-])C1CC[NH+](CCCNc2nc(-c3ccccc3)ns2)CC1 ZINC000567985179 468250121 /nfs/dbraw/zinc/25/01/21/468250121.db2.gz ONNYLGWJPFXIQO-UHFFFAOYSA-N -2 2 346.456 2.226 20 0 EEADLL Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1scc(C(=O)[O-])c1C ZINC001608042487 1351612191 /nfs/dbraw/zinc/61/21/91/1351612191.db2.gz VMSROKSZQZZJBY-UHFFFAOYSA-N -2 2 345.354 2.155 20 0 EEADLL O=C(Nc1ccc(OCc2nn[nH]n2)cc1)c1cc(Cl)ccc1O ZINC000436544065 1409859955 /nfs/dbraw/zinc/85/99/55/1409859955.db2.gz IGNKIVKOBHSKLY-UHFFFAOYSA-N -2 2 345.746 2.390 20 0 EEADLL Cn1ccc2c[nH+]c(NC3([P@](=O)([O-])O)Cc4ccccc4C3)nc21 ZINC001167932443 780965850 /nfs/dbraw/zinc/96/58/50/780965850.db2.gz SVXHAVMORSMUNB-UHFFFAOYSA-N -2 2 344.311 2.053 20 0 EEADLL COC(=O)[C@@H](Oc1nc2nc[nH]c2c(=S)[nH]1)c1ccc(F)cc1 ZINC001226781410 1301552078 /nfs/dbraw/zinc/55/20/78/1301552078.db2.gz AXMBLOMFQIOIBB-JTQLQIEISA-N -2 2 334.332 2.074 20 0 EEADLL O=C([O-])c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000918062539 768876781 /nfs/dbraw/zinc/87/67/81/768876781.db2.gz YCCBPAGXIXTHFD-UHFFFAOYSA-N -2 2 339.300 2.023 20 0 EEADLL Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cccc1C(=O)[O-] ZINC000336850143 465050842 /nfs/dbraw/zinc/05/08/42/465050842.db2.gz PEIFRUXUSMLZAY-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1C(=O)[O-] ZINC000832952928 600691170 /nfs/dbraw/zinc/69/11/70/600691170.db2.gz NGDIYDFXVFILNK-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1C(=O)[O-] ZINC000738463284 576453737 /nfs/dbraw/zinc/45/37/37/576453737.db2.gz KMYDTANJRZGSFY-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL O=C(Cc1coc2ccccc12)NOc1cccc(-c2nn[nH]n2)c1 ZINC001592933040 1349728706 /nfs/dbraw/zinc/72/87/06/1349728706.db2.gz USWRHZHHVLKCCQ-UHFFFAOYSA-N -2 2 335.323 2.266 20 0 EEADLL O=C([O-])c1csc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000315426142 466560682 /nfs/dbraw/zinc/56/06/82/466560682.db2.gz KDROKHQRHRFPIF-UHFFFAOYSA-N -2 2 345.329 2.084 20 0 EEADLL C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263445049 689856802 /nfs/dbraw/zinc/85/68/02/689856802.db2.gz XOIRDWLSTMTRNI-ZWNOBZJWSA-N -2 2 344.333 2.416 20 0 EEADLL Cc1cn2cc(NS(=O)(=O)c3ccccc3C(=O)[O-])ccc2[nH+]1 ZINC001198740335 1285312692 /nfs/dbraw/zinc/31/26/92/1285312692.db2.gz FLSFYZHQOCRTQX-UHFFFAOYSA-N -2 2 331.353 2.142 20 0 EEADLL CC(=O)Nc1ccc(S(=O)(=O)Nc2cncc(O)c2)c(Cl)c1 ZINC001193317829 1282460370 /nfs/dbraw/zinc/46/03/70/1282460370.db2.gz JSUPQGMVZSDCDH-UHFFFAOYSA-N -2 2 341.776 2.200 20 0 EEADLL COC(=O)[C@H](Oc1nc2nc[nH]c2c(=S)[nH]1)c1ccc(F)cc1 ZINC001226781412 1301552744 /nfs/dbraw/zinc/55/27/44/1301552744.db2.gz AXMBLOMFQIOIBB-SNVBAGLBSA-N -2 2 334.332 2.074 20 0 EEADLL Cc1csc(C(=O)[O-])c1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001610545015 1352242463 /nfs/dbraw/zinc/24/24/63/1352242463.db2.gz MAJHEJCZZXFNJT-UHFFFAOYSA-N -2 2 345.354 2.155 20 0 EEADLL O=C([O-])C1(c2ccc(C[N@H+]3CCC[C@H](c4n[nH]c(=O)[nH]4)C3)cc2)CC1 ZINC001608581111 1351719941 /nfs/dbraw/zinc/71/99/41/1351719941.db2.gz UEXKCICWNBJRPZ-ZDUSSCGKSA-N -2 2 342.399 2.006 20 0 EEADLL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832853265 601986257 /nfs/dbraw/zinc/98/62/57/601986257.db2.gz SNGGVHHCNGJQPP-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1C(=O)[O-] ZINC000832956048 602117759 /nfs/dbraw/zinc/11/77/59/602117759.db2.gz XKSAJFZWKXHQDU-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])sc1C(=O)[O-] ZINC000350730449 466590808 /nfs/dbraw/zinc/59/08/08/466590808.db2.gz SCQLNOIWKWPWRV-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL COc1ccc(O)c(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c1 ZINC000342638506 161079704 /nfs/dbraw/zinc/07/97/04/161079704.db2.gz QOSQLIMSLROFGB-UHFFFAOYSA-N -2 2 339.369 2.219 20 0 EEADLL C[C@H](Oc1nc2nc[nH]c2c(=S)[nH]1)C(=O)OCc1ccccc1 ZINC001226781497 1301551874 /nfs/dbraw/zinc/55/18/74/1301551874.db2.gz CLNRJWWMCFXZOC-VIFPVBQESA-N -2 2 330.369 2.152 20 0 EEADLL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)s1 ZINC001602401984 1350510846 /nfs/dbraw/zinc/51/08/46/1350510846.db2.gz ZPSZWLKLQBVYOT-UHFFFAOYSA-N -2 2 345.329 2.084 20 0 EEADLL O=P([O-])([O-])c1ccc(-c2cccc(CC[NH+]3CCOCC3)c2)cc1 ZINC001240276766 1309292001 /nfs/dbraw/zinc/29/20/01/1309292001.db2.gz GWXXXSMAZLZNDQ-UHFFFAOYSA-N -2 2 347.351 2.031 20 0 EEADLL Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(c3cc(C(=O)[O-])on3)CC2)n1 ZINC001571201802 962372391 /nfs/dbraw/zinc/37/23/91/962372391.db2.gz YOBJBMIMINSNOW-JTQLQIEISA-N -2 2 332.360 2.117 20 0 EEADLL O=C([O-])c1csc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000339070235 465063888 /nfs/dbraw/zinc/06/38/88/465063888.db2.gz IWNHFIKJTJOALP-UHFFFAOYSA-N -2 2 345.329 2.084 20 0 EEADLL CCOc1ccccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001185599170 1278713128 /nfs/dbraw/zinc/71/31/28/1278713128.db2.gz ZWHGMYTYWYLQFC-UHFFFAOYSA-N -2 2 345.384 2.066 20 0 EEADLL Cc1ccc(N2CCC[C@H](Oc3nc4[nH]cnc4c(=S)[nH]3)C2)[nH+]c1 ZINC001226781416 1301552604 /nfs/dbraw/zinc/55/26/04/1301552604.db2.gz AXTBNQLCFHGHBE-NSHDSACASA-N -2 2 342.428 2.393 20 0 EEADLL O=[P@@]([O-])(O)C1(Nc2cccn3c[nH+]cc23)Cc2ccccc2C1 ZINC001167939717 781029293 /nfs/dbraw/zinc/02/92/93/781029293.db2.gz PHNQQWGDQOHIHC-UHFFFAOYSA-N -2 2 329.296 2.419 20 0 EEADLL C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC001599936348 985400966 /nfs/dbraw/zinc/40/09/66/985400966.db2.gz XOIRDWLSTMTRNI-GWCFXTLKSA-N -2 2 344.333 2.416 20 0 EEADLL O=C([O-])C1(c2ccc(C[N@H+]3CCC[C@@H](c4n[nH]c(=O)[nH]4)C3)cc2)CC1 ZINC001608581110 1351719670 /nfs/dbraw/zinc/71/96/70/1351719670.db2.gz UEXKCICWNBJRPZ-CYBMUJFWSA-N -2 2 342.399 2.006 20 0 EEADLL Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)ccc1C(=O)[O-] ZINC001600301608 1350015261 /nfs/dbraw/zinc/01/52/61/1350015261.db2.gz JYXHJBOTEWOZOW-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000032596966 463383573 /nfs/dbraw/zinc/38/35/73/463383573.db2.gz RLLADJLIFJAVPP-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL S=c1[nH]c(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)nc2[nH]cnc21 ZINC001226786324 1301553661 /nfs/dbraw/zinc/55/36/61/1301553661.db2.gz POPVLMCJVKARKL-NSHDSACASA-N -2 2 338.396 2.339 20 0 EEADLL Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1C(=O)[O-] ZINC000342277736 161053325 /nfs/dbraw/zinc/05/33/25/161053325.db2.gz KYQQZDNYQJELDZ-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000386770614 972079066 /nfs/dbraw/zinc/07/90/66/972079066.db2.gz HPWAGEIGJPWEEG-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL NC(=O)c1cc(O)cc(NS(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC001259459492 1319581635 /nfs/dbraw/zinc/58/16/35/1319581635.db2.gz ZUXHQTVGRYFWHX-UHFFFAOYSA-N -2 2 344.751 2.084 20 0 EEADLL O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc(-c2ccncc2)on1 ZINC000123991798 463384181 /nfs/dbraw/zinc/38/41/81/463384181.db2.gz JVMKXUGRFDCVAM-UHFFFAOYSA-N -2 2 333.311 2.169 20 0 EEADLL O=C([O-])c1csc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000067660040 463033593 /nfs/dbraw/zinc/03/35/93/463033593.db2.gz UWNVTSYRLFRCRE-UHFFFAOYSA-N -2 2 345.329 2.084 20 0 EEADLL Cc1ccc(N2CCC[C@@H](Oc3nc4[nH]cnc4c(=S)[nH]3)C2)[nH+]c1 ZINC001226781414 1301552131 /nfs/dbraw/zinc/55/21/31/1301552131.db2.gz AXTBNQLCFHGHBE-LLVKDONJSA-N -2 2 342.428 2.393 20 0 EEADLL O=C([O-])c1sccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000833323929 600673127 /nfs/dbraw/zinc/67/31/27/600673127.db2.gz CTSAMUCXZNMBRW-UHFFFAOYSA-N -2 2 345.329 2.084 20 0 EEADLL COc1ccc(NC(=O)c2cccc(Cl)c2O)cc1-c1nn[nH]n1 ZINC001605296891 1351128125 /nfs/dbraw/zinc/12/81/25/1351128125.db2.gz HJERSRWGBXNUQR-UHFFFAOYSA-N -2 2 345.746 2.487 20 0 EEADLL C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](Cc2ccsc2C(=O)[O-])C1 ZINC001604589325 1350965730 /nfs/dbraw/zinc/96/57/30/1350965730.db2.gz NAADCRHIBZCUMG-GFCCVEGCSA-N -2 2 336.335 2.089 20 0 EEADLL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000014097373 462910149 /nfs/dbraw/zinc/91/01/49/462910149.db2.gz SDXLXJPRVKXHPF-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001607840036 1351569227 /nfs/dbraw/zinc/56/92/27/1351569227.db2.gz MALCPJCNHGJBMM-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL COc1ccc(S(=O)(=O)Nc2cc[nH+]c(C3CC3)c2)cc1C(=O)[O-] ZINC001185276002 802433404 /nfs/dbraw/zinc/43/34/04/802433404.db2.gz SURAVNITKAPPFK-UHFFFAOYSA-N -2 2 348.380 2.467 20 0 EEADLL Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cccc1C(=O)[O-] ZINC000314746173 599868084 /nfs/dbraw/zinc/86/80/84/599868084.db2.gz OZRUWCDPCJHAAF-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL O=C(NCCCC[P@@](=O)([O-])O)c1ccc(O)c(C(F)(F)F)c1 ZINC001188588153 1279941937 /nfs/dbraw/zinc/94/19/37/1279941937.db2.gz GREDZRGZZKQVJV-UHFFFAOYSA-N -3 2 341.222 2.099 20 0 EEADLL O=C(CSCc1ccc(-c2nn[nH]n2)cc1)NOC1CCCCC1 ZINC001606582129 1351325801 /nfs/dbraw/zinc/32/58/01/1351325801.db2.gz VDVKDXRDBXUXIJ-UHFFFAOYSA-N -2 2 347.444 2.480 20 0 EEADLL Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C(=O)[O-])c1 ZINC000067659996 463033636 /nfs/dbraw/zinc/03/36/36/463033636.db2.gz ICOVMUODAHEJNX-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000833741175 605125563 /nfs/dbraw/zinc/12/55/63/605125563.db2.gz AQHHKEJYTMTOPZ-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL Cc1cccc(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)c1F ZINC000313226099 466537862 /nfs/dbraw/zinc/53/78/62/466537862.db2.gz IESQPQGVQKGTTO-UHFFFAOYSA-N -2 2 333.348 2.115 20 0 EEADLL O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc(-c2ccco2)[nH]n1 ZINC000356001920 153238838 /nfs/dbraw/zinc/23/88/38/153238838.db2.gz BAXQREVOCPRNKF-UHFFFAOYSA-N -2 2 336.311 2.413 20 0 EEADLL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832868629 602117943 /nfs/dbraw/zinc/11/79/43/602117943.db2.gz QETYCUODJFPGCS-UHFFFAOYSA-N -2 2 341.366 2.254 20 0 EEADLL