smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@]1(C)C[C@@H](C(=O)[O-])[C@H](c2ccccc2C(F)(F)F)[N@@H+]1C ZINC000034785177 202276779 /nfs/dbraw/zinc/27/67/79/202276779.db2.gz LUVKCSBCHJGBRC-IFUGULHKSA-N 0 2 345.317 2.715 40 0 EFABLN COC(=O)[C@@]1(C)C[C@@H](C(=O)[O-])[C@H](c2ccccc2C(F)(F)F)[N@H+]1C ZINC000034785177 202276781 /nfs/dbraw/zinc/27/67/81/202276781.db2.gz LUVKCSBCHJGBRC-IFUGULHKSA-N 0 2 345.317 2.715 40 0 EFABLN CCc1onc(C)c1NS(=O)(=O)c1c(C)csc1C(=O)OC ZINC000190048860 201051004 /nfs/dbraw/zinc/05/10/04/201051004.db2.gz DCYVYWHKIPWOHF-UHFFFAOYSA-N 0 2 344.414 2.503 40 0 EFABLN Cc1nc(NS(C)(=O)=O)sc1C(=O)Nc1ccc(C)c(C)c1 ZINC000225877421 242067455 /nfs/dbraw/zinc/06/74/55/242067455.db2.gz UDTLNUAICSIHGQ-UHFFFAOYSA-N 0 2 339.442 2.692 40 0 EFABLN Cc1nc(NS(C)(=O)=O)sc1C(=O)Nc1cccc(C)c1C ZINC000225877316 242067895 /nfs/dbraw/zinc/06/78/95/242067895.db2.gz QZNRLXARQSXJRE-UHFFFAOYSA-N 0 2 339.442 2.692 40 0 EFABLN Cc1cc(F)ccc1NS(=O)(=O)c1cnn(-c2ccccn2)c1 ZINC000072238997 203184549 /nfs/dbraw/zinc/18/45/49/203184549.db2.gz GPMAAUGXYDDBBF-UHFFFAOYSA-N 0 2 332.360 2.516 40 0 EFABLN CC(C)C(=O)N1CCC[C@@H](Cc2cc(Nc3nncs3)ncn2)C1 ZINC000072383697 203210967 /nfs/dbraw/zinc/21/09/67/203210967.db2.gz ORLQXZXHIODIMF-LBPRGKRZSA-N 0 2 346.460 2.509 40 0 EFABLN CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN1Cc1ccc2[nH]ccc2c1 ZINC000072366185 203207540 /nfs/dbraw/zinc/20/75/40/203207540.db2.gz RGWMUWUQJFJZMR-OAHLLOKOSA-N 0 2 344.440 2.632 40 0 EFABLN COc1ccccc1CN1CCCC[C@@H]1c1[nH]ncc1S(C)(=O)=O ZINC000257270903 244375468 /nfs/dbraw/zinc/37/54/68/244375468.db2.gz MWCNDKIGYLDFRY-CQSZACIVSA-N 0 2 349.456 2.549 40 0 EFABLN COc1ccccc1CN1CCCC[C@H]1c1[nH]ncc1S(C)(=O)=O ZINC000257270902 244377128 /nfs/dbraw/zinc/37/71/28/244377128.db2.gz MWCNDKIGYLDFRY-AWEZNQCLSA-N 0 2 349.456 2.549 40 0 EFABLN COc1ccc(NC(=O)CCC(=O)C=C(O)c2ccncc2)cc1 ZINC000104274130 204103560 /nfs/dbraw/zinc/10/35/60/204103560.db2.gz AWNVQVJSIDGLNC-UHFFFAOYSA-N 0 2 326.352 2.651 40 0 EFABLN O=[P@@]([O-])(O)[C@H]([NH2+]CCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000012949462 207266761 /nfs/dbraw/zinc/26/67/61/207266761.db2.gz HSIQGLWBBAULGH-HNNXBMFYSA-N 0 2 327.267 2.973 40 0 EFABLN O=[P@]([O-])(O)[C@H]([NH2+]CCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000012949462 207266767 /nfs/dbraw/zinc/26/67/67/207266767.db2.gz HSIQGLWBBAULGH-HNNXBMFYSA-N 0 2 327.267 2.973 40 0 EFABLN CC(C)(C)c1nc(=NC(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)s[nH]1 ZINC000329805653 311293131 /nfs/dbraw/zinc/29/31/31/311293131.db2.gz ASLYHODESAVANT-WDEREUQCSA-N 0 2 338.477 2.679 40 0 EFABLN C[C@@H](NC(=O)c1cc(F)c(F)c(O)c1F)[C@@H](O)Cc1ccccc1 ZINC000097237139 323214424 /nfs/dbraw/zinc/21/44/24/323214424.db2.gz UIVOJIDAXPGGMD-RNCFNFMXSA-N 0 2 339.313 2.531 40 0 EFABLN Cc1occc1-c1nnc(NS(=O)(=O)c2cc(F)ccc2F)o1 ZINC000153819890 323220064 /nfs/dbraw/zinc/22/00/64/323220064.db2.gz YDTPVPIUDGCTAS-UHFFFAOYSA-N 0 2 341.295 2.717 40 0 EFABLN COc1ccccc1S(=O)(=O)Nc1nccc(-c2ccccc2)n1 ZINC000163224684 323222832 /nfs/dbraw/zinc/22/28/32/323222832.db2.gz LYKZNBRGOFDUSC-UHFFFAOYSA-N 0 2 341.392 2.953 40 0 EFABLN CCn1nc(C)c(S(=O)(=O)Nc2nc3c(s2)CCCC3)c1C ZINC000072239062 463486774 /nfs/dbraw/zinc/48/67/74/463486774.db2.gz ZBFBGCMOOCTUDB-UHFFFAOYSA-N 0 2 340.474 2.656 40 0 EFABLN COc1ccc(Cc2nnc(Nc3cccc(F)c3)[nH]c2=O)cc1 ZINC000004225002 471461144 /nfs/dbraw/zinc/46/11/44/471461144.db2.gz MZFKDKVZYWFMND-UHFFFAOYSA-N 0 2 326.331 2.647 40 0 EFABLN Cc1ccc(Cl)cc1NC(=O)C[C@@H]([NH2+]Cc1ccco1)C(=O)[O-] ZINC000004318930 471464456 /nfs/dbraw/zinc/46/44/56/471464456.db2.gz PJKDNQKLHKQTTA-CQSZACIVSA-N 0 2 336.775 2.813 40 0 EFABLN COC(=O)c1cc(=O)c2c(C)nc(-c3ccc(Cl)cc3)nc2[nH]1 ZINC000005730221 471519002 /nfs/dbraw/zinc/51/90/02/471519002.db2.gz CJXVBWPAHQNPIQ-UHFFFAOYSA-N 0 2 329.743 2.734 40 0 EFABLN Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3[S@@]2=O)c(C)c1 ZINC000005721917 471519039 /nfs/dbraw/zinc/51/90/39/471519039.db2.gz BUNHENLRGZALHQ-VOIUYBSRSA-N 0 2 342.420 2.761 40 0 EFABLN O=C(C[C@H]1C(=O)Nc2ccccc2[S@]1=O)Nc1ccc(Cl)cc1 ZINC000005811838 471521496 /nfs/dbraw/zinc/52/14/96/471521496.db2.gz ZOVZPMRJAQIQRK-PSLXWICFSA-N 0 2 348.811 2.797 40 0 EFABLN O=C(OCc1nc(=O)c2sccc2[nH]1)c1ccc2ncsc2c1 ZINC000008215815 471671249 /nfs/dbraw/zinc/67/12/49/471671249.db2.gz CHMZVMLOKSUQBQ-UHFFFAOYSA-N 0 2 343.389 2.951 40 0 EFABLN CCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S1 ZINC000008935684 471708033 /nfs/dbraw/zinc/70/80/33/471708033.db2.gz JSSPLSNGUOLEGH-CQSZACIVSA-N 0 2 333.457 2.972 40 0 EFABLN CCN(CC)C1=NC(=O)C(CC(=O)Nc2cc(C)ccc2C)S1 ZINC000008935684 471708037 /nfs/dbraw/zinc/70/80/37/471708037.db2.gz JSSPLSNGUOLEGH-CQSZACIVSA-N 0 2 333.457 2.972 40 0 EFABLN Cc1ccc(C)c(OCC(=O)OCc2nc(=O)c3sccc3[nH]2)c1 ZINC000009218413 471712237 /nfs/dbraw/zinc/71/22/37/471712237.db2.gz VPHAKARRSNKMKA-UHFFFAOYSA-N 0 2 344.392 2.724 40 0 EFABLN C[C@H]1Cc2cc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)ccc2O1 ZINC000010299062 471732493 /nfs/dbraw/zinc/73/24/93/471732493.db2.gz KNBTWICIUMGQSP-IEMQHYRPSA-N 0 2 348.358 2.676 40 0 EFABLN CCSc1nnc(NS(=O)(=O)c2ccc(OC)c(F)c2)s1 ZINC000038602835 472020343 /nfs/dbraw/zinc/02/03/43/472020343.db2.gz CXVQBBJWPHWRQU-UHFFFAOYSA-N 0 2 349.434 2.599 40 0 EFABLN O=C(C[C@H]1SC(=O)NC1=O)Nc1nc2ccc(Cl)cc2s1 ZINC000027579445 472185198 /nfs/dbraw/zinc/18/51/98/472185198.db2.gz HXTSOGDFWCTUBC-MRVPVSSYSA-N 0 2 341.801 2.630 40 0 EFABLN CCn1c2ccc(NS(=O)(=O)c3cccs3)cc2sc1=O ZINC000045960842 472491034 /nfs/dbraw/zinc/49/10/34/472491034.db2.gz JWVBONGMRPANIL-UHFFFAOYSA-N 0 2 340.451 2.945 40 0 EFABLN COc1ccc([C@H](O)CC(=O)CC(=O)C=C(O)c2ccccc2)cc1 ZINC000100406474 472527140 /nfs/dbraw/zinc/52/71/40/472527140.db2.gz DXGNRFVZFNUEIZ-HXUWFJFHSA-N 0 2 340.375 2.920 40 0 EFABLN Cc1nc(C)n(CCc2cc(=O)n3[nH]cc(-c4ccccc4)c3n2)n1 ZINC000100776269 472528529 /nfs/dbraw/zinc/52/85/29/472528529.db2.gz XMILANXWJFITRI-UHFFFAOYSA-N 0 2 334.383 2.553 40 0 EFABLN COc1c(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)nn1C ZINC000119322331 472545689 /nfs/dbraw/zinc/54/56/89/472545689.db2.gz CGWOKXJPGWPDFP-UHFFFAOYSA-N 0 2 342.487 2.834 40 0 EFABLN CC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC2=[NH+]CCc3cc(F)ccc32)C1 ZINC000049590571 472953264 /nfs/dbraw/zinc/95/32/64/472953264.db2.gz QPHOXSKOCINHHM-ZFWWWQNUSA-N 0 2 346.402 2.520 40 0 biogenic,in-vitro EFABLN CN(Cc1nc2c(s1)CCCC2)Cc1nc(=O)c2sccc2[nH]1 ZINC000096448006 473426580 /nfs/dbraw/zinc/42/65/80/473426580.db2.gz XWPFWSIKKJZDCA-UHFFFAOYSA-N 0 2 346.481 2.952 40 0 EFABLN Cc1cc(S(=O)(=O)Nc2cc(C3CCOCC3)n[nH]2)c(C)s1 ZINC000096474377 473438760 /nfs/dbraw/zinc/43/87/60/473438760.db2.gz GBZRJAAPYAKYEB-UHFFFAOYSA-N 0 2 341.458 2.783 40 0 EFABLN Cc1cc(S(=O)(=O)Nc2cc(-c3ccncc3)[nH]n2)c(C)s1 ZINC000096484233 473443856 /nfs/dbraw/zinc/44/38/56/473443856.db2.gz HKUTZGOPJCTWGT-UHFFFAOYSA-N 0 2 334.426 2.951 40 0 EFABLN Cc1cc(S(=O)(=O)Nc2cc(-c3ccncc3)n[nH]2)c(C)s1 ZINC000096484233 473443861 /nfs/dbraw/zinc/44/38/61/473443861.db2.gz HKUTZGOPJCTWGT-UHFFFAOYSA-N 0 2 334.426 2.951 40 0 EFABLN CS(=O)(=O)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000096501252 473452903 /nfs/dbraw/zinc/45/29/03/473452903.db2.gz JTSCWQSSNDKASQ-QMMMGPOBSA-N 0 2 337.241 2.738 40 0 EFABLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2cn(CC(C)C)cn2)n1 ZINC000191842962 473582917 /nfs/dbraw/zinc/58/29/17/473582917.db2.gz VKMYPPHOMQHBCH-UHFFFAOYSA-N 0 2 349.460 2.570 40 0 EFABLN Cc1cc(S(=O)(=O)Nc2nnc(CCC(C)C)o2)ccc1F ZINC000194878509 473970181 /nfs/dbraw/zinc/97/01/81/473970181.db2.gz OCJGYPGJKVORPU-UHFFFAOYSA-N 0 2 327.381 2.907 40 0 EFABLN CCCSc1nnc(NS(=O)(=O)Cc2ccccc2)s1 ZINC000223747738 474190745 /nfs/dbraw/zinc/19/07/45/474190745.db2.gz CROQGQMCYFCJFO-UHFFFAOYSA-N 0 2 329.472 2.982 40 0 EFABLN CCSc1nnc(NS(=O)(=O)Cc2ccc(C)cc2)s1 ZINC000224817623 474199896 /nfs/dbraw/zinc/19/98/96/474199896.db2.gz ARORSXSLGHYSSN-UHFFFAOYSA-N 0 2 329.472 2.900 40 0 EFABLN COc1cc(C)c(S(=O)(=O)Nc2nnc(SC)s2)cc1C ZINC000225157643 474204220 /nfs/dbraw/zinc/20/42/20/474204220.db2.gz ZBVBKEPRQMGVCG-UHFFFAOYSA-N 0 2 345.471 2.686 40 0 EFABLN CSc1cccc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1C ZINC000225447301 474213464 /nfs/dbraw/zinc/21/34/64/474213464.db2.gz LJJPDFRXZGAUOU-UHFFFAOYSA-N 0 2 347.412 2.979 40 0 EFABLN [NH3+]c1ccc(N2CCN(c3cccc(Cl)c3)CC2)c(C(=O)[O-])c1 ZINC000321646735 474928481 /nfs/dbraw/zinc/92/84/81/474928481.db2.gz QDIDOKBQQVQXHL-UHFFFAOYSA-N 0 2 331.803 2.947 40 0 EFABLN CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC000257301101 474939981 /nfs/dbraw/zinc/93/99/81/474939981.db2.gz RWZUJZHGNXZWFD-AWEZNQCLSA-N 0 2 337.420 2.680 40 0 EFABLN Cc1cn(C)c([C@@H]2CCC[N@@H+]2Cc2ccccc2OCC(=O)[O-])n1 ZINC000257301274 474940136 /nfs/dbraw/zinc/94/01/36/474940136.db2.gz RXSOGNZMCYGIQU-HNNXBMFYSA-N 0 2 329.400 2.529 40 0 EFABLN Cc1cn(C)c([C@@H]2CCC[N@H+]2Cc2ccccc2OCC(=O)[O-])n1 ZINC000257301274 474940143 /nfs/dbraw/zinc/94/01/43/474940143.db2.gz RXSOGNZMCYGIQU-HNNXBMFYSA-N 0 2 329.400 2.529 40 0 EFABLN COc1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1O ZINC000390833859 476804759 /nfs/dbraw/zinc/80/47/59/476804759.db2.gz OCAQWCODZZGFPZ-UHFFFAOYSA-N 0 2 331.752 2.994 40 0 EFABLN CO[C@H]1CCCN(C(=O)CCc2cc(=O)[nH]o2)[C@H]1Cc1ccccc1 ZINC000585277092 479305908 /nfs/dbraw/zinc/30/59/08/479305908.db2.gz SEEADPCKNYGFHJ-IRXDYDNUSA-N 0 2 344.411 2.562 40 0 EFABLN C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653545116 481318204 /nfs/dbraw/zinc/31/82/04/481318204.db2.gz TTXRYIVHWINBIY-WCFLWFBJSA-N 0 2 330.388 2.591 40 0 EFABLN C[C@@H]1c2cc(NS(=O)(=O)c3cccs3)cc3c2N(CCC3)C1=O ZINC000101078675 219115633 /nfs/dbraw/zinc/11/56/33/219115633.db2.gz GXQRIVCRJULICE-SNVBAGLBSA-N 0 2 348.449 2.945 40 0 EFABLN COc1cc(C)c(S(=O)(=O)Nc2ccnn2C(C)C)cc1OC ZINC000066248508 215026750 /nfs/dbraw/zinc/02/67/50/215026750.db2.gz NJEMMURVRUOARE-UHFFFAOYSA-N 0 2 339.417 2.590 40 0 EFABLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000035188448 213013373 /nfs/dbraw/zinc/01/33/73/213013373.db2.gz IIBJDNHQMCPPPG-NSHDSACASA-N 0 2 343.170 2.534 40 0 EFABLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000035188448 213013371 /nfs/dbraw/zinc/01/33/71/213013371.db2.gz IIBJDNHQMCPPPG-NSHDSACASA-N 0 2 343.170 2.534 40 0 EFABLN O=S(=O)(Nc1ccc(Cl)cc1)c1cnn(-c2ccccn2)c1 ZINC000072238994 216078083 /nfs/dbraw/zinc/07/80/83/216078083.db2.gz BQLCJQLIKBAMNS-UHFFFAOYSA-N 0 2 334.788 2.722 40 0 EFABLN Cc1nnc(NS(=O)(=O)c2cccc(COC(C)C)c2)s1 ZINC000072265382 216087589 /nfs/dbraw/zinc/08/75/89/216087589.db2.gz YXVMZRNDFBLJGJ-UHFFFAOYSA-N 0 2 327.431 2.572 40 0 EFABLN Cc1nc(Nc2nncs2)cc([C@@H]2CCCN2c2cnccn2)n1 ZINC000072360223 216165727 /nfs/dbraw/zinc/16/57/27/216165727.db2.gz AGZALNGMBIENPE-LBPRGKRZSA-N 0 2 340.416 2.512 40 0 EFABLN Cc1nc(Nc2nncs2)cc([C@H]2CCN(C(=O)CC(C)C)C2)n1 ZINC000072383725 216183670 /nfs/dbraw/zinc/18/36/70/216183670.db2.gz CKJUVQWXYVABNV-LBPRGKRZSA-N 0 2 346.460 2.742 40 0 EFABLN CCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)S1 ZINC000022195087 212281599 /nfs/dbraw/zinc/28/15/99/212281599.db2.gz LLCYKXLGBAXWJJ-AWEZNQCLSA-N 0 2 347.440 2.558 40 0 EFABLN CCN(CC)C1=NC(=O)C(CC(=O)Nc2ccc(C(C)=O)cc2)S1 ZINC000022195087 212281601 /nfs/dbraw/zinc/28/16/01/212281601.db2.gz LLCYKXLGBAXWJJ-AWEZNQCLSA-N 0 2 347.440 2.558 40 0 EFABLN COc1ccc(Nc2cc(N3CCC(C(=O)[O-])CC3)[nH+]c(C)n2)cc1 ZINC000217361113 241247161 /nfs/dbraw/zinc/24/71/61/241247161.db2.gz MEPOXMCZHSUGBL-UHFFFAOYSA-N 0 2 342.399 2.838 40 0 EFABLN O=C([O-])c1ccccc1-c1cnc(C[NH+]2CC(c3cc[nH]n3)C2)s1 ZINC000257247550 244260138 /nfs/dbraw/zinc/26/01/38/244260138.db2.gz IZLNCJRSWUXTIC-UHFFFAOYSA-N 0 2 340.408 2.831 40 0 EFABLN Cc1ccc(S(=O)(=O)Nc2cccc(-c3nncn3C)c2)s1 ZINC000019217314 212005667 /nfs/dbraw/zinc/00/56/67/212005667.db2.gz MCEAMEJLNZNYMV-UHFFFAOYSA-N 0 2 334.426 2.653 40 0 EFABLN CC(C)c1cc(NS(=O)(=O)c2cccs2)n(-c2ncccn2)n1 ZINC000079029315 217177717 /nfs/dbraw/zinc/17/77/17/217177717.db2.gz VQODNEZSQUDAQY-UHFFFAOYSA-N 0 2 349.441 2.648 40 0 EFABLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc2ncccc2c1 ZINC000095452264 218396756 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Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)[N-]c1cccc2[nH]c[nH+]c21 ZINC000096452976 473428652 /nfs/dbraw/zinc/42/86/52/473428652.db2.gz IMRTUBVUMNQZPX-UHFFFAOYSA-N 0 2 347.444 2.932 40 0 EFABLN COc1ccc(Cl)cc1CNS(=O)(=O)[C@@H](C)C(F)(F)F ZINC000096502931 473455437 /nfs/dbraw/zinc/45/54/37/473455437.db2.gz FFWHKHNHFPQONB-ZETCQYMHSA-N 0 2 331.743 2.719 40 0 EFABLN Cc1ccc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1F ZINC000186677124 473723172 /nfs/dbraw/zinc/72/31/72/473723172.db2.gz CKQAMDUNAKCCFP-UHFFFAOYSA-N 0 2 340.358 2.761 40 0 EFABLN Cc1cc(C)nc(NS(=O)(=O)Cc2ccc(F)c(Cl)c2)n1 ZINC000194695002 473939590 /nfs/dbraw/zinc/93/95/90/473939590.db2.gz YFHNGTUWZLGUJA-UHFFFAOYSA-N 0 2 329.784 2.828 40 0 EFABLN NC(=O)CN(CCC1CCCCC1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000195563603 474097696 /nfs/dbraw/zinc/09/76/96/474097696.db2.gz AAHVIPGKMHGUOT-UHFFFAOYSA-N 0 2 340.370 2.568 40 0 EFABLN CCCSc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1 ZINC000223255097 474181921 /nfs/dbraw/zinc/18/19/21/474181921.db2.gz BWINKILCEVOLEB-UHFFFAOYSA-N 0 2 345.471 2.850 40 0 EFABLN Cc1noc(C)c1S(=O)(=O)Nc1nnc(SCC(C)C)s1 ZINC000224048019 474194015 /nfs/dbraw/zinc/19/40/15/474194015.db2.gz HMVXMLJFHQHMIW-UHFFFAOYSA-N 0 2 348.475 2.692 40 0 EFABLN COc1cccc([C@H](CC(=O)[O-])NC(=S)Nc2cc[nH+]cc2)c1 ZINC000225217952 474204576 /nfs/dbraw/zinc/20/45/76/474204576.db2.gz XUYPPWCHUUWDBG-AWEZNQCLSA-N 0 2 331.397 2.593 40 0 EFABLN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000248493054 474339587 /nfs/dbraw/zinc/33/95/87/474339587.db2.gz JSBVGCACNVGVOF-OIFKANJSSA-N 0 2 349.374 2.619 40 0 EFABLN COc1ccccc1S(=O)(=O)Nc1cc(Br)ccn1 ZINC000195573278 537104051 /nfs/dbraw/zinc/10/40/51/537104051.db2.gz WABRPRXSBMWZEH-UHFFFAOYSA-N 0 2 343.202 2.654 40 0 EFABLN O=S(=O)(Nc1ccc2c(c1)CCC2)c1cnn(-c2ccccn2)c1 ZINC000072238999 216077646 /nfs/dbraw/zinc/07/76/46/216077646.db2.gz FMTHWFDWOMHIGB-UHFFFAOYSA-N 0 2 340.408 2.557 40 0 EFABLN COCCCNC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)cc1 ZINC000028575946 212626910 /nfs/dbraw/zinc/62/69/10/212626910.db2.gz 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COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000145523026 473293614 /nfs/dbraw/zinc/29/36/14/473293614.db2.gz RFTJAFGUYQPMOH-UHFFFAOYSA-N 0 2 327.308 2.552 40 0 EFABLN COc1cccc(C=CC(=O)OCc2nc(=O)c3sccc3[nH]2)c1 ZINC000005171972 471489806 /nfs/dbraw/zinc/48/98/06/471489806.db2.gz RNZUYGKPUGPFRX-AATRIKPKSA-N 0 2 342.376 2.750 40 0 EFABLN Cc1oc2cc(O)cc(=O)c-2c(O)c1-c1ccc2c(c1)OCCO2 ZINC000005730172 471519049 /nfs/dbraw/zinc/51/90/49/471519049.db2.gz COAGEDGYSFPTAT-UHFFFAOYSA-N 0 2 326.304 2.951 40 0 biogenic EFABLN Cc1oc2cc(O)cc(O)c2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000005730172 471519052 /nfs/dbraw/zinc/51/90/52/471519052.db2.gz COAGEDGYSFPTAT-UHFFFAOYSA-N 0 2 326.304 2.951 40 0 biogenic EFABLN Cc1ccsc1/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000006223474 471535678 /nfs/dbraw/zinc/53/56/78/471535678.db2.gz MMCZWFWJPDOZDE-CSKARUKUSA-N 0 2 330.340 2.862 40 0 EFABLN COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000006621638 471555315 /nfs/dbraw/zinc/55/53/15/471555315.db2.gz 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ZINC000096501006 473452971 /nfs/dbraw/zinc/45/29/71/473452971.db2.gz GOPGQILZYGVGCX-UHFFFAOYSA-N 0 2 342.302 2.778 40 0 EFABLN CCCc1cc(NS(=O)(=O)c2ccc(OC)c(F)c2C)n(C)n1 ZINC000096501488 473454421 /nfs/dbraw/zinc/45/44/21/473454421.db2.gz WKMMAXDUQPQFOF-UHFFFAOYSA-N 0 2 341.408 2.630 40 0 EFABLN Cc1noc([C@@H](NC(=O)c2cc(F)c(F)c(O)c2F)C(C)C)n1 ZINC000186326514 473650298 /nfs/dbraw/zinc/65/02/98/473650298.db2.gz LANYNTNDJJMSBN-NSHDSACASA-N 0 2 329.278 2.628 40 0 EFABLN Cc1cc(S(=O)(=O)Nc2nnc(CC3CCCC3)o2)c(C)o1 ZINC000194903453 473972760 /nfs/dbraw/zinc/97/27/60/473972760.db2.gz JYCYLYYIMLVQDD-UHFFFAOYSA-N 0 2 325.390 2.813 40 0 EFABLN CSc1nnc(NS(=O)(=O)Cc2ccc(Cl)cc2)s1 ZINC000224018514 474192871 /nfs/dbraw/zinc/19/28/71/474192871.db2.gz VNELUKBDKTWTIO-UHFFFAOYSA-N 0 2 335.863 2.855 40 0 EFABLN CC(C)Sc1nnc(NS(=O)(=O)Cc2ccccc2)s1 ZINC000223974749 474193456 /nfs/dbraw/zinc/19/34/56/474193456.db2.gz YJBPTRJQMQPSLK-UHFFFAOYSA-N 0 2 329.472 2.981 40 0 EFABLN CCSc1nnc(NS(=O)(=O)c2ccc(F)cc2C)s1 ZINC000225600848 474229369 /nfs/dbraw/zinc/22/93/69/474229369.db2.gz XGZCFZBCSAHOML-UHFFFAOYSA-N 0 2 333.435 2.898 40 0 EFABLN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000183057635 474316010 /nfs/dbraw/zinc/31/60/10/474316010.db2.gz JSBVGCACNVGVOF-KLDKYJJHSA-N 0 2 349.374 2.619 40 0 EFABLN O=C(c1cc(F)c(F)c(O)c1F)N1CCCCC[C@H]1c1ncon1 ZINC000189556140 474439272 /nfs/dbraw/zinc/43/92/72/474439272.db2.gz FHUPFZHQEJMXRB-JTQLQIEISA-N 0 2 341.289 2.950 40 0 EFABLN O=S(=O)(Nc1cccc2c1OCCC2)c1c[nH]c2ncccc12 ZINC000241446995 474555681 /nfs/dbraw/zinc/55/56/81/474555681.db2.gz NQIJZMISGKTKOT-UHFFFAOYSA-N 0 2 329.381 2.689 40 0 EFABLN O=C(C1CCCC1)N1CCC[C@H]1c1ccnc(Nc2ncccn2)n1 ZINC000257290997 474935190 /nfs/dbraw/zinc/93/51/90/474935190.db2.gz QFDXWPIRRGTTEV-HNNXBMFYSA-N 0 2 338.415 2.864 40 0 EFABLN COc1ccc(S(=O)(=O)Nc2ccn(C(C)C)n2)cc1Cl ZINC000281238814 475130129 /nfs/dbraw/zinc/13/01/29/475130129.db2.gz VCLPWQTUUZQQDA-UHFFFAOYSA-N 0 2 329.809 2.927 40 0 EFABLN C[N@H+](Cc1ccc2c(c1)OCCO2)[C@H](C(=O)[O-])c1ccccc1F ZINC000570638037 478404596 /nfs/dbraw/zinc/40/45/96/478404596.db2.gz IUXPLJBJMSZQEB-KRWDZBQOSA-N 0 2 331.343 2.855 40 0 EFABLN C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H](C(=O)[O-])c1ccccc1F ZINC000570638037 478404605 /nfs/dbraw/zinc/40/46/05/478404605.db2.gz IUXPLJBJMSZQEB-KRWDZBQOSA-N 0 2 331.343 2.855 40 0 EFABLN COc1ccc(S(=O)(=O)Nc2nc3cc(F)ccc3n2C)cc1 ZINC000174028036 525088675 /nfs/dbraw/zinc/08/86/75/525088675.db2.gz GGHOTIQUKOLUEP-UHFFFAOYSA-N 0 2 335.360 2.522 40 0 EFABLN Cc1nc2cc([C@@H]3CCCN(C(=O)c4ccco4)C3)[nH]n2c(=O)c1C ZINC000100137612 219092303 /nfs/dbraw/zinc/09/23/03/219092303.db2.gz HYHTUADSRJLREX-CYBMUJFWSA-N 0 2 340.383 2.665 40 0 EFABLN CN1C[C@H](c2cc(=O)n3[nH]cc(-c4ccc(Cl)cc4)c3n2)CC1=O ZINC000100775969 219106442 /nfs/dbraw/zinc/10/64/42/219106442.db2.gz IDIAYMQEEACJNM-LLVKDONJSA-N 0 2 342.786 2.701 40 0 EFABLN Cc1c(Cl)cccc1NC(=O)C[C@@H]([NH2+]Cc1ccco1)C(=O)[O-] ZINC000004318910 210169047 /nfs/dbraw/zinc/16/90/47/210169047.db2.gz LVKOYDUPNGPZLA-CQSZACIVSA-N 0 2 336.775 2.813 40 0 EFABLN CCn1c(=O)c2ccc(C(=O)N3CCCC[C@H]3C)cc2[nH]c1=S ZINC000102347888 219196072 /nfs/dbraw/zinc/19/60/72/219196072.db2.gz CGMBDKAOVPVHFY-LLVKDONJSA-N 0 2 331.441 2.720 40 0 EFABLN Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)c(C)c1 ZINC000072238942 216077710 /nfs/dbraw/zinc/07/77/10/216077710.db2.gz ZCGKXXMBJQEZHI-UHFFFAOYSA-N 0 2 328.397 2.685 40 0 EFABLN Cc1nc(Nc2nncs2)cc([C@H]2CCCN2c2cnccn2)n1 ZINC000072360224 216165853 /nfs/dbraw/zinc/16/58/53/216165853.db2.gz AGZALNGMBIENPE-GFCCVEGCSA-N 0 2 340.416 2.512 40 0 EFABLN CC(C)C(=O)N1CCC[C@H](Cc2cc(Nc3nncs3)ncn2)C1 ZINC000072383696 216183969 /nfs/dbraw/zinc/18/39/69/216183969.db2.gz ORLQXZXHIODIMF-GFCCVEGCSA-N 0 2 346.460 2.509 40 0 EFABLN COC(=O)[C@@H]1C(=O)c2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000000044698 209386820 /nfs/dbraw/zinc/38/68/20/209386820.db2.gz HVZDBRKTDNKCOQ-IRXDYDNUSA-N 0 2 326.348 2.821 40 0 EFABLN COc1ccc(Nc2cc(N3CCC[C@@H](C(=O)[O-])C3)[nH+]c(C)n2)cc1 ZINC000217364571 241245890 /nfs/dbraw/zinc/24/58/90/241245890.db2.gz BIPGZCRPSDOOCR-CYBMUJFWSA-N 0 2 342.399 2.838 40 0 EFABLN Cc1nc(NS(C)(=O)=O)sc1C(=O)Nc1ccc(C)cc1C ZINC000225877341 242067515 /nfs/dbraw/zinc/06/75/15/242067515.db2.gz XBXLQTFPJSLYRB-UHFFFAOYSA-N 0 2 339.442 2.692 40 0 EFABLN CCn1cc(S(=O)(=O)Nc2ccc(C)c3ncccc23)c(C)n1 ZINC000012147735 211307852 /nfs/dbraw/zinc/30/78/52/211307852.db2.gz BCFQFMYDUWGXDC-UHFFFAOYSA-N 0 2 330.413 2.869 40 0 EFABLN COC(=O)c1ccc(Nc2nnc(Cc3ccccc3)c(=O)[nH]2)cc1 ZINC000010257258 211158824 /nfs/dbraw/zinc/15/88/24/211158824.db2.gz UTMFBFMOZLQONR-UHFFFAOYSA-N 0 2 336.351 2.698 40 0 EFABLN CCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S1 ZINC000009390303 211079861 /nfs/dbraw/zinc/07/98/61/211079861.db2.gz IQDYQILSEXUHLG-CYBMUJFWSA-N 0 2 333.457 2.972 40 0 EFABLN CCN(CC)C1=NC(=O)C(CC(=O)Nc2c(C)cccc2C)S1 ZINC000009390303 211079864 /nfs/dbraw/zinc/07/98/64/211079864.db2.gz IQDYQILSEXUHLG-CYBMUJFWSA-N 0 2 333.457 2.972 40 0 EFABLN CC(C)(C)c1nc(=NC(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)s[nH]1 ZINC000329805651 311293281 /nfs/dbraw/zinc/29/32/81/311293281.db2.gz ASLYHODESAVANT-QWRGUYRKSA-N 0 2 338.477 2.679 40 0 EFABLN CC(C)(C)c1nc(=NC(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)s[nH]1 ZINC000329805648 311293290 /nfs/dbraw/zinc/29/32/90/311293290.db2.gz ASLYHODESAVANT-GHMZBOCLSA-N 0 2 338.477 2.679 40 0 EFABLN COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000530214970 317081923 /nfs/dbraw/zinc/08/19/23/317081923.db2.gz TYHRCSROKNQIMF-MRXNPFEDSA-N 0 2 340.807 2.535 40 0 EFABLN COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CCC[C@]1(C)C(=O)[O-] ZINC000530214970 317081927 /nfs/dbraw/zinc/08/19/27/317081927.db2.gz TYHRCSROKNQIMF-MRXNPFEDSA-N 0 2 340.807 2.535 40 0 EFABLN C[C@@H]1CC[C@H](NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)C[C@@H]1C ZINC000097100884 323213858 /nfs/dbraw/zinc/21/38/58/323213858.db2.gz AJBRSCYKSZSTNA-WOPDTQHZSA-N 0 2 348.472 2.951 40 0 EFABLN Cc1nc(NS(=O)(=O)c2ccc(F)c(F)c2)cc(C2CC2)n1 ZINC000127497329 323217526 /nfs/dbraw/zinc/21/75/26/323217526.db2.gz GGGOXHYFAVKXBE-UHFFFAOYSA-N 0 2 325.340 2.741 40 0 EFABLN COCc1csc(NS(=O)(=O)C[C@@H](C)c2ccccc2)n1 ZINC000097234021 463350892 /nfs/dbraw/zinc/35/08/92/463350892.db2.gz VIZDWEMIYTZIRF-LLVKDONJSA-N 0 2 326.443 2.835 40 0 EFABLN COCc1csc(NS(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000096407111 473383944 /nfs/dbraw/zinc/38/39/44/473383944.db2.gz RUKUKBGJZNWVPU-UHFFFAOYSA-N 0 2 336.797 2.883 40 0 EFABLN COc1cc(NS(=O)(=O)c2ccc(F)cc2F)cc(OC)c1 ZINC000003360465 471443822 /nfs/dbraw/zinc/44/38/22/471443822.db2.gz NZHMUGDEEHTZSP-UHFFFAOYSA-N 0 2 329.324 2.783 40 0 EFABLN C[C@@H]1Cc2cc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)ccc2O1 ZINC000010299059 471732122 /nfs/dbraw/zinc/73/21/22/471732122.db2.gz KNBTWICIUMGQSP-COOUDCDJSA-N 0 2 348.358 2.676 40 0 EFABLN O=S(=O)(Nc1cnn(Cc2ccccc2F)c1)c1ccccc1 ZINC000014229497 471864818 /nfs/dbraw/zinc/86/48/18/471864818.db2.gz NHYPHFNINWQZEK-UHFFFAOYSA-N 0 2 331.372 2.871 40 0 EFABLN O=S(=O)(Nc1nnc(C2CC2)s1)c1cccc2cccnc21 ZINC000028225430 472217765 /nfs/dbraw/zinc/21/77/65/472217765.db2.gz SQYXJAGKMHJXCF-UHFFFAOYSA-N 0 2 332.410 2.765 40 0 EFABLN CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)c(F)c(O)c1F ZINC000097374909 472493024 /nfs/dbraw/zinc/49/30/24/472493024.db2.gz ZLTXXXXITZJUGU-LYSPQLLHSA-N 0 2 349.374 2.619 40 0 EFABLN O=C(NCc1ccnc(OC2CCC2)c1)c1cc(F)c(O)c(F)c1 ZINC000097377192 472495400 /nfs/dbraw/zinc/49/54/00/472495400.db2.gz STHRVSSKFKXEPI-UHFFFAOYSA-N 0 2 334.322 2.927 40 0 EFABLN Oc1c(Br)cc(Cl)nc1I ZINC000071256070 472546061 /nfs/dbraw/zinc/54/60/61/472546061.db2.gz OGGXYLWVBRQVAA-UHFFFAOYSA-N 0 2 334.338 2.808 40 0 EFABLN O=c1c2c(nc3c(-c4cccc(Br)c4)c[nH]n31)CCC2 ZINC000071475311 472552693 /nfs/dbraw/zinc/55/26/93/472552693.db2.gz VRDYIWGLZJSTCR-UHFFFAOYSA-N 0 2 330.185 2.941 40 0 EFABLN Cc1cc(S(=O)(=O)Nc2noc(-c3ccco3)n2)c(C)s1 ZINC000130979762 472640994 /nfs/dbraw/zinc/64/09/94/472640994.db2.gz YEJIZNGMOQTRED-UHFFFAOYSA-N 0 2 325.371 2.809 40 0 EFABLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccsc2)cn1 ZINC000096435731 473415401 /nfs/dbraw/zinc/41/54/01/473415401.db2.gz NGYADZRMCGEHDO-UHFFFAOYSA-N 0 2 335.410 2.743 40 0 EFABLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc2[nH]c[nH+]c21 ZINC000096452978 473429171 /nfs/dbraw/zinc/42/91/71/473429171.db2.gz KCYMVYXAWZXUST-UHFFFAOYSA-N 0 2 333.417 2.758 40 0 EFABLN Cc1nnc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C)s1 ZINC000096459904 473432486 /nfs/dbraw/zinc/43/24/86/473432486.db2.gz JFEZYYMBXLAUPB-UHFFFAOYSA-N 0 2 337.348 2.975 40 0 EFABLN CC[C@H](C)Oc1cc(C(=O)Nc2nc(-c3ccoc3)n[nH]2)ccn1 ZINC000096494996 473450874 /nfs/dbraw/zinc/45/08/74/473450874.db2.gz KNNQIYWXHKHENO-JTQLQIEISA-N 0 2 327.344 2.889 40 0 EFABLN COc1ccc(C)cc1[C@@H](C)NS(=O)(=O)[C@H](C)C(F)(F)F ZINC000096502928 473455369 /nfs/dbraw/zinc/45/53/69/473455369.db2.gz JTHNUTOYYBOZIL-NXEZZACHSA-N 0 2 325.352 2.935 40 0 EFABLN CN(CCc1cccc2ccccc21)S(=O)(=O)NCC(F)(F)F ZINC000195202221 474029693 /nfs/dbraw/zinc/02/96/93/474029693.db2.gz NIMDJCNVLGGERV-UHFFFAOYSA-N 0 2 346.374 2.711 40 0 EFABLN COc1ccnc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000195579780 474101523 /nfs/dbraw/zinc/10/15/23/474101523.db2.gz NSZXURLDHRIQMO-UHFFFAOYSA-N 0 2 346.330 2.996 40 0 EFABLN CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)noc2C)c1 ZINC000223718616 474190779 /nfs/dbraw/zinc/19/07/79/474190779.db2.gz ASQOYOCXUFXSPK-UHFFFAOYSA-N 0 2 338.385 2.577 40 0 EFABLN CSc1nnc(NS(=O)(=O)Cc2cccc(Cl)c2)s1 ZINC000225248472 474205407 /nfs/dbraw/zinc/20/54/07/474205407.db2.gz XLXYICGSKPSIHZ-UHFFFAOYSA-N 0 2 335.863 2.855 40 0 EFABLN O=S(=O)(Nc1nc(-c2ccncc2)ns1)c1ccccc1F ZINC000182563050 474205782 /nfs/dbraw/zinc/20/57/82/474205782.db2.gz JKQHTKWOKAXWDS-UHFFFAOYSA-N 0 2 336.373 2.540 40 0 EFABLN Cc1nn(C)c(F)c1S(=O)(=O)Nc1nc2c(cccc2C)s1 ZINC000252484544 474669439 /nfs/dbraw/zinc/66/94/39/474669439.db2.gz FYYUFJCMYNMIHR-UHFFFAOYSA-N 0 2 340.405 2.587 40 0 EFABLN CCc1cccc(S(=O)(=O)Nc2cc(Br)nn2C)c1 ZINC000291918429 474752513 /nfs/dbraw/zinc/75/25/13/474752513.db2.gz ATYSNSDZBDXEQA-UHFFFAOYSA-N 0 2 344.234 2.546 40 0 EFABLN CC(C)(CNc1nc(C2CCCC2)ns1)C1(O)CCOCC1 ZINC000333477543 475948488 /nfs/dbraw/zinc/94/84/88/475948488.db2.gz BREIVBKLDWREJH-UHFFFAOYSA-N 0 2 325.478 2.597 40 0 EFABLN Cn1ccnc1[C@@H]1C[C@@H](Nc2nc(C3CCCC3)ns2)CCO1 ZINC000333742111 476017446 /nfs/dbraw/zinc/01/74/46/476017446.db2.gz XSOVDUYCTDSUDZ-STQMWFEESA-N 0 2 333.461 2.683 40 0 EFABLN CCOc1cc([C@@H]2[NH2+][C@@H](C(=O)[O-])CS2)ccc1OCC(C)C ZINC000408983398 476974910 /nfs/dbraw/zinc/97/49/10/476974910.db2.gz BNFZQRJEZFHUGW-IUODEOHRSA-N 0 2 325.430 2.908 40 0 EFABLN CCn1nc(C)c(S(=O)(=O)Nc2ccc3oc(CO)cc3c2)c1C ZINC000585140047 479298067 /nfs/dbraw/zinc/29/80/67/479298067.db2.gz HLXPZBSMMPCRJZ-UHFFFAOYSA-N 0 2 349.412 2.559 40 0 EFABLN CC(C)c1ncc(NS(=O)(=O)c2cn(C)nc2C2CCCC2)cn1 ZINC000901922584 1311198783 /nfs/dbraw/zinc/19/87/83/1311198783.db2.gz VTROLPQNNDVDNQ-UHFFFAOYSA-N 0 2 349.460 2.792 40 0 EFABLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)nc2)c1 ZINC000067004710 215103142 /nfs/dbraw/zinc/10/31/42/215103142.db2.gz DBOJIKOXTVEXOE-UHFFFAOYSA-N 0 2 349.387 2.678 40 0 EFABLN Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)cc1F ZINC000072238990 216077406 /nfs/dbraw/zinc/07/74/06/216077406.db2.gz QXVIQYSVEWWNNJ-UHFFFAOYSA-N 0 2 332.360 2.516 40 0 EFABLN CCOc1ccc(S(=O)(=O)Nc2cc(-c3ccncc3)n[nH]2)cc1 ZINC000072255949 216084379 /nfs/dbraw/zinc/08/43/79/216084379.db2.gz RSDZUHAYQWYBEF-UHFFFAOYSA-N 0 2 344.396 2.671 40 0 EFABLN CCOc1ccc(S(=O)(=O)Nc2cc(-c3ccncc3)[nH]n2)cc1 ZINC000072255949 216084383 /nfs/dbraw/zinc/08/43/83/216084383.db2.gz RSDZUHAYQWYBEF-UHFFFAOYSA-N 0 2 344.396 2.671 40 0 EFABLN Cc1c(CCC(=O)NCc2ccccc2C(F)(F)F)cnn1C ZINC000028575691 212626889 /nfs/dbraw/zinc/62/68/89/212626889.db2.gz YGOKUJFWRAHAMY-UHFFFAOYSA-N 0 2 325.334 2.996 40 0 EFABLN O=S(=O)(Nc1cc(Br)ccn1)c1cccc(F)c1 ZINC000195573282 241019598 /nfs/dbraw/zinc/01/95/98/241019598.db2.gz VTHIPEXAYDQEHF-UHFFFAOYSA-N 0 2 331.166 2.784 40 0 EFABLN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)s2)cc1 ZINC000225389089 241835677 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