smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c2[nH]cc(C(=O)[N-]OCCC(F)(F)F)c(=O)c2c1 ZINC000160988650 206322543 /nfs/dbraw/zinc/32/25/43/206322543.db2.gz RBOBGDIOJUYAPQ-UHFFFAOYSA-N -1 1 328.290 3.171 20 70 EGIDMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000217082147 266194271 /nfs/dbraw/zinc/19/42/71/266194271.db2.gz YVQUUFMDFSYVKR-UHFFFAOYSA-N -1 1 330.453 3.432 20 70 EGIDMM CCc1ccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)cc1CC ZINC000160026115 455422855 /nfs/dbraw/zinc/42/28/55/455422855.db2.gz SERLBKJZQZSMAM-UHFFFAOYSA-N -1 1 347.440 3.103 20 70 EGIDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(F)cc2)n[nH]1 ZINC000159864605 455409943 /nfs/dbraw/zinc/40/99/43/455409943.db2.gz AMUNRSHMHMYJHL-NSHDSACASA-N -1 1 325.409 3.394 20 70 EGIDMM CCOc1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)c2ccccc12 ZINC000160475106 455463426 /nfs/dbraw/zinc/46/34/26/455463426.db2.gz IHQYOXYOKPUZJV-UHFFFAOYSA-N -1 1 345.424 3.379 20 70 EGIDMM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)ccc1OC(C)C ZINC000160657298 455484815 /nfs/dbraw/zinc/48/48/15/455484815.db2.gz YVFXMMMCQPJHGK-UHFFFAOYSA-N -1 1 337.445 3.430 20 70 EGIDMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c(C)n1 ZINC000160682695 307893470 /nfs/dbraw/zinc/89/34/70/307893470.db2.gz XQEWKWWWWMSFAY-UHFFFAOYSA-N -1 1 326.805 3.161 20 70 EGIDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1C ZINC000160477332 455463469 /nfs/dbraw/zinc/46/34/69/455463469.db2.gz NXITWAFWVRRTQB-UHFFFAOYSA-N -1 1 327.409 3.494 20 70 EGIDMM Cc1cccc2c(CCC(=O)Nc3n[n-]c(C(F)(F)F)n3)c[nH]c21 ZINC000161461644 206350566 /nfs/dbraw/zinc/35/05/66/206350566.db2.gz ZFFOGFLMNQCHJX-UHFFFAOYSA-N -1 1 337.305 3.185 20 70 EGIDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)[nH]n1 ZINC000159885345 206268691 /nfs/dbraw/zinc/26/86/91/206268691.db2.gz TYRSYBFOJHGVAP-VIFPVBQESA-N -1 1 328.825 3.163 20 70 EGIDMM C[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccc(F)cc1F ZINC000160500097 206301132 /nfs/dbraw/zinc/30/11/32/206301132.db2.gz LEJMSJUPEDZDBF-LURJTMIESA-N -1 1 334.248 3.234 20 70 EGIDMM CC(C)(C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000159485359 307874782 /nfs/dbraw/zinc/87/47/82/307874782.db2.gz CAZIZNMCVQALQG-UHFFFAOYSA-N -1 1 344.633 3.318 20 70 EGIDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)[nH]n1 ZINC000159884220 455412410 /nfs/dbraw/zinc/41/24/10/455412410.db2.gz JUPXVRPTAZRNPD-JTQLQIEISA-N -1 1 341.408 3.262 20 70 EGIDMM Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C)Sc3ccccc3)n2)o1 ZINC000160361595 455450827 /nfs/dbraw/zinc/45/08/27/455450827.db2.gz FHKVLEOXBAFRQR-NSHDSACASA-N -1 1 328.397 3.492 20 70 EGIDMM C[C@@H](CSCc1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000159596365 206254572 /nfs/dbraw/zinc/25/45/72/206254572.db2.gz MYXGOUHRSPVSOL-VIFPVBQESA-N -1 1 344.362 3.332 20 70 EGIDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(F)cc2)n[nH]1 ZINC000159864477 455409896 /nfs/dbraw/zinc/40/98/96/455409896.db2.gz AMUNRSHMHMYJHL-LLVKDONJSA-N -1 1 325.409 3.394 20 70 EGIDMM CCCCCOc1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)cc1 ZINC000160474829 455463956 /nfs/dbraw/zinc/46/39/56/455463956.db2.gz FYWOLQKSVNZFCK-UHFFFAOYSA-N -1 1 337.445 3.396 20 70 EGIDMM CSCc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc1 ZINC000160308127 455446706 /nfs/dbraw/zinc/44/67/06/455446706.db2.gz XMLLLNKGIOEAAE-UHFFFAOYSA-N -1 1 328.397 3.488 20 70 EGIDMM Cc1ccc(-c2n[nH]c(NC(=O)Cc3cccc(OC(F)F)c3)n2)o1 ZINC000160194696 546944709 /nfs/dbraw/zinc/94/47/09/546944709.db2.gz JCLJBVSTEKYNTF-UHFFFAOYSA-N -1 1 348.309 3.156 20 70 EGIDMM Cc1ccc(CCNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000160210330 455438884 /nfs/dbraw/zinc/43/88/84/455438884.db2.gz KNMFTNNSAWAPTJ-UHFFFAOYSA-N -1 1 334.213 3.436 20 70 EGIDMM COC(=O)c1cccc2nc(NC(=O)CCO[C@@H](C)CC(C)C)[nH]c21 ZINC000159933676 455416715 /nfs/dbraw/zinc/41/67/15/455416715.db2.gz SCHWPSYQHYFMLU-LBPRGKRZSA-N -1 1 347.415 3.129 20 70 EGIDMM Cc1cc(OCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc(C)c1Cl ZINC000160802692 455499505 /nfs/dbraw/zinc/49/95/05/455499505.db2.gz SVTHWSOSSURFOP-UHFFFAOYSA-N -1 1 348.712 3.111 20 70 EGIDMM CCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000159485658 455380286 /nfs/dbraw/zinc/38/02/86/455380286.db2.gz HBTPIUYPQUUWRA-UHFFFAOYSA-N -1 1 344.633 3.320 20 70 EGIDMM CCCCc1cc([N-]S(=O)(=O)c2ccc(SC)cc2)[nH]n1 ZINC000159947111 455417545 /nfs/dbraw/zinc/41/75/45/455417545.db2.gz XUYLLRNKWZZTIZ-UHFFFAOYSA-N -1 1 325.459 3.275 20 70 EGIDMM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c(C)n1 ZINC000160666621 455485719 /nfs/dbraw/zinc/48/57/19/455485719.db2.gz WIDACLARONQZNU-UHFFFAOYSA-N -1 1 326.805 3.161 20 70 EGIDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)n[nH]1 ZINC000160680098 455487136 /nfs/dbraw/zinc/48/71/36/455487136.db2.gz PEGOSXVMZGEANI-UHFFFAOYSA-N -1 1 347.371 3.450 20 70 EGIDMM Cc1ccccc1NC(=O)[C@H](C)O[N-]C(=O)CCCc1ccccc1 ZINC000160798156 455500208 /nfs/dbraw/zinc/50/02/08/455500208.db2.gz FFHXOIBAVWZDGL-INIZCTEOSA-N -1 1 340.423 3.393 20 70 EGIDMM COc1ccc(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c([O-])c1 ZINC000218441480 266194967 /nfs/dbraw/zinc/19/49/67/266194967.db2.gz QYQNEOWVJSYVOB-UHFFFAOYSA-N -1 1 341.342 3.286 20 70 EGIDMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c(C)n1 ZINC000160662185 307893413 /nfs/dbraw/zinc/89/34/13/307893413.db2.gz ULZZEKQEQNSQLZ-UHFFFAOYSA-N -1 1 326.805 3.161 20 70 EGIDMM CCCCc1nnc([N-]C(=O)c2c(C)onc2-c2ccncc2)s1 ZINC000160030580 529052756 /nfs/dbraw/zinc/05/27/56/529052756.db2.gz MBBUHUSBBBPWPZ-UHFFFAOYSA-N -1 1 343.412 3.491 20 70 EGIDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(OCCF)c1 ZINC000161199828 455547548 /nfs/dbraw/zinc/54/75/48/455547548.db2.gz OHARKEZZFCOCBM-UHFFFAOYSA-N -1 1 327.352 3.283 20 70 EGIDMM Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)n2)o1 ZINC000160191411 455435946 /nfs/dbraw/zinc/43/59/46/455435946.db2.gz ZQKKDFOCCKCVFK-MNOVXSKESA-N -1 1 344.321 3.394 20 70 EGIDMM CC(C)c1cc(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)no1 ZINC000160115765 528043159 /nfs/dbraw/zinc/04/31/59/528043159.db2.gz UNUVIYWXHXSJEX-UHFFFAOYSA-N -1 1 345.790 3.344 20 70 EGIDMM CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000159457231 307874356 /nfs/dbraw/zinc/87/43/56/307874356.db2.gz VKIJWNXCDMHEQO-ZCFIWIBFSA-N -1 1 344.633 3.318 20 70 EGIDMM CC[C@@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000160293105 307887629 /nfs/dbraw/zinc/88/76/29/307887629.db2.gz AUCZEDSPMOZCBL-QMMMGPOBSA-N -1 1 346.663 3.350 20 70 EGIDMM Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(C(F)(F)F)nc3)n2)o1 ZINC000160305599 455446147 /nfs/dbraw/zinc/44/61/47/455446147.db2.gz URDSYYXQTPFAMO-UHFFFAOYSA-N -1 1 337.261 3.039 20 70 EGIDMM Cc1ccc(-c2n[nH]c(NC(=O)CCC(=O)c3ccc(C)cc3)n2)o1 ZINC000160362741 455450860 /nfs/dbraw/zinc/45/08/60/455450860.db2.gz FBOZKOLQYGGNKK-UHFFFAOYSA-N -1 1 338.367 3.283 20 70 EGIDMM Cc1ccccc1NC(=O)[C@@H](C)O[N-]C(=O)CCCc1ccccc1 ZINC000160798022 455499976 /nfs/dbraw/zinc/49/99/76/455499976.db2.gz FFHXOIBAVWZDGL-MRXNPFEDSA-N -1 1 340.423 3.393 20 70 EGIDMM CCCCc1cc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)[nH]n1 ZINC000159946547 455417722 /nfs/dbraw/zinc/41/77/22/455417722.db2.gz NMVNVHCPOCIAJU-UHFFFAOYSA-N -1 1 343.836 3.215 20 70 EGIDMM CCCCc1cc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)n[nH]1 ZINC000159952850 455418637 /nfs/dbraw/zinc/41/86/37/455418637.db2.gz VJNFBWKTBCJBBA-UHFFFAOYSA-N -1 1 343.836 3.215 20 70 EGIDMM Cc1ccc(-c2n[nH]c(NC(=O)CCn3ccc4ccccc43)n2)o1 ZINC000160358003 455451120 /nfs/dbraw/zinc/45/11/20/455451120.db2.gz BEIKRRHDHMXYQJ-UHFFFAOYSA-N -1 1 335.367 3.357 20 70 EGIDMM CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000159457343 455377921 /nfs/dbraw/zinc/37/79/21/455377921.db2.gz VKIJWNXCDMHEQO-LURJTMIESA-N -1 1 344.633 3.318 20 70 EGIDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1 ZINC000161176440 455544555 /nfs/dbraw/zinc/54/45/55/455544555.db2.gz ZPCFSZATWNZQKO-UHFFFAOYSA-N -1 1 337.372 3.038 20 70 EGIDMM CCCc1nnc([N-]C(=O)c2c(C)onc2-c2ccncc2)s1 ZINC000160093751 528775696 /nfs/dbraw/zinc/77/56/96/528775696.db2.gz DAKFKVLYAOSOCP-UHFFFAOYSA-N -1 1 329.385 3.101 20 70 EGIDMM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000160140832 225346184 /nfs/dbraw/zinc/34/61/84/225346184.db2.gz VZHMLSFUDODJCG-UHFFFAOYSA-N -1 1 343.412 3.446 20 70 EGIDMM O=C(NCCc1cccc(F)c1)c1cc(Br)ccc1[O-] ZINC000218653813 266194823 /nfs/dbraw/zinc/19/48/23/266194823.db2.gz GRZNQHCXMRPBMO-UHFFFAOYSA-N -1 1 338.176 3.266 20 70 EGIDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2sccc2OC)[nH]n1 ZINC000159882295 528086934 /nfs/dbraw/zinc/08/69/34/528086934.db2.gz OQLFFVSDZYKGFF-VIFPVBQESA-N -1 1 329.447 3.184 20 70 EGIDMM CCCc1nnc([N-]C(=O)c2c(C)onc2-c2ccccn2)s1 ZINC000160091689 528775402 /nfs/dbraw/zinc/77/54/02/528775402.db2.gz BSRAJUNBUOBCDP-UHFFFAOYSA-N -1 1 329.385 3.101 20 70 EGIDMM O=S(=O)([N-]c1cccc(OCCF)c1)c1ccc(F)c(F)c1 ZINC000161208922 307900117 /nfs/dbraw/zinc/90/01/17/307900117.db2.gz SVSSFLPMMMRGNF-UHFFFAOYSA-N -1 1 331.315 3.114 20 70 EGIDMM Cc1ccc(-c2n[nH]c(NC(=O)Cc3c[nH]c4c3cccc4C)n2)o1 ZINC000160209231 455438390 /nfs/dbraw/zinc/43/83/90/455438390.db2.gz NLCWDQSJHXKKFU-UHFFFAOYSA-N -1 1 335.367 3.344 20 70 EGIDMM CC[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccc(OC)cc1 ZINC000160504381 455468076 /nfs/dbraw/zinc/46/80/76/455468076.db2.gz ZQUKANPAFBFRQW-SECBINFHSA-N -1 1 342.321 3.355 20 70 EGIDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n[nH]1 ZINC000160683516 455488158 /nfs/dbraw/zinc/48/81/58/455488158.db2.gz SIRYCDSNPKFAIR-UHFFFAOYSA-N -1 1 329.381 3.311 20 70 EGIDMM COC(=O)c1cccc2nc(NC(=O)CCO[C@H](C)CC(C)C)[nH]c21 ZINC000159933539 455416943 /nfs/dbraw/zinc/41/69/43/455416943.db2.gz SCHWPSYQHYFMLU-GFCCVEGCSA-N -1 1 347.415 3.129 20 70 EGIDMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000218101747 456034570 /nfs/dbraw/zinc/03/45/70/456034570.db2.gz ZPEWATCRUOOOHC-UHFFFAOYSA-N -1 1 339.800 3.236 20 70 EGIDMM Cc1ccc(-c2n[nH]c(NC(=O)Cc3ccccc3OC(F)F)n2)o1 ZINC000160208793 455438364 /nfs/dbraw/zinc/43/83/64/455438364.db2.gz RSLDVOYYWGIFHX-UHFFFAOYSA-N -1 1 348.309 3.156 20 70 EGIDMM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000160116931 225341192 /nfs/dbraw/zinc/34/11/92/225341192.db2.gz JCLIXGIBHJLPSS-UHFFFAOYSA-N -1 1 329.385 3.272 20 70 EGIDMM CC(C)N(C(=O)[C@H](C)O[N-]C(=O)CCCc1ccccc1)C(C)C ZINC000160787149 279307055 /nfs/dbraw/zinc/30/70/55/279307055.db2.gz JVCPGUSTCPCKIC-INIZCTEOSA-N -1 1 334.460 3.091 20 70 EGIDMM CC[C@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000160293241 455445387 /nfs/dbraw/zinc/44/53/87/455445387.db2.gz AUCZEDSPMOZCBL-MRVPVSSYSA-N -1 1 346.663 3.350 20 70 EGIDMM Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)Sc3ccccc3)n2)o1 ZINC000160361492 455450383 /nfs/dbraw/zinc/45/03/83/455450383.db2.gz FHKVLEOXBAFRQR-LLVKDONJSA-N -1 1 328.397 3.492 20 70 EGIDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1F ZINC000161183534 307899765 /nfs/dbraw/zinc/89/97/65/307899765.db2.gz FATCUIDTRVFBBK-UHFFFAOYSA-N -1 1 327.352 3.283 20 70 EGIDMM CC[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccc(OC)cc1 ZINC000160504246 455467975 /nfs/dbraw/zinc/46/79/75/455467975.db2.gz ZQUKANPAFBFRQW-VIFPVBQESA-N -1 1 342.321 3.355 20 70 EGIDMM CC(C)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000159606977 455388608 /nfs/dbraw/zinc/38/86/08/455388608.db2.gz VAWQAGZHHRXZIE-UHFFFAOYSA-N -1 1 344.633 3.176 20 70 EGIDMM Cc1ccc2c([O-])c(C(=O)N3CCC(OC(C)(C)C)CC3)cnc2n1 ZINC000160989958 455521152 /nfs/dbraw/zinc/52/11/52/455521152.db2.gz STCLERKEVDQUAE-UHFFFAOYSA-N -1 1 343.427 3.064 20 70 EGIDMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(OC(C)(C)C)CC1)c2=O ZINC000160989958 455521157 /nfs/dbraw/zinc/52/11/57/455521157.db2.gz STCLERKEVDQUAE-UHFFFAOYSA-N -1 1 343.427 3.064 20 70 EGIDMM Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@H]3c3cccc(F)c3F)n2)o1 ZINC000160191654 455436648 /nfs/dbraw/zinc/43/66/48/455436648.db2.gz ZQKKDFOCCKCVFK-QWRGUYRKSA-N -1 1 344.321 3.394 20 70 EGIDMM Cc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)ccc1Br ZINC000160812965 455501513 /nfs/dbraw/zinc/50/15/13/455501513.db2.gz SDHMDZRLJOFQLV-UHFFFAOYSA-N -1 1 349.110 3.147 20 70 EGIDMM O=S(=O)([N-]c1cccc(OCCF)c1)c1ccc(Cl)cc1 ZINC000161191856 307899761 /nfs/dbraw/zinc/89/97/61/307899761.db2.gz AAQCXLDFOOJRLC-UHFFFAOYSA-N -1 1 329.780 3.489 20 70 EGIDMM O=C(c1ccc(Br)c([O-])c1)N1CCc2ccccc2CC1 ZINC000160245921 455441690 /nfs/dbraw/zinc/44/16/90/455441690.db2.gz DFYLMSDXRSOSPH-UHFFFAOYSA-N -1 1 346.224 3.396 20 70 EGIDMM Cc1cc(S(=O)(=O)[N-]c2cccc(OCCF)c2)ccc1F ZINC000161185466 455545506 /nfs/dbraw/zinc/54/55/06/455545506.db2.gz AVDWLQNPCPKGLQ-UHFFFAOYSA-N -1 1 327.352 3.283 20 70 EGIDMM CC[C@@H](C)c1cc(C(=O)[N-]c2n[nH]c(-c3ccccc3OC)n2)on1 ZINC000161480790 455573763 /nfs/dbraw/zinc/57/37/63/455573763.db2.gz YFCBECUWEXSDEO-SNVBAGLBSA-N -1 1 341.371 3.234 20 70 EGIDMM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000160016720 206274577 /nfs/dbraw/zinc/27/45/77/206274577.db2.gz DSHWCSUSJLAGKP-UHFFFAOYSA-N -1 1 343.412 3.347 20 70 EGIDMM Cc1noc(C)c1CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160656454 206307138 /nfs/dbraw/zinc/30/71/38/206307138.db2.gz OQDOITWZFZETAB-UHFFFAOYSA-N -1 1 328.290 3.101 20 70 EGIDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C)n1 ZINC000160679469 307893463 /nfs/dbraw/zinc/89/34/63/307893463.db2.gz SKMZHEBUGZGXAT-UHFFFAOYSA-N -1 1 346.330 3.218 20 70 EGIDMM Cc1ccc(-c2n[nH]c(NC(=O)Cc3c[nH]c4ccc(F)cc34)n2)o1 ZINC000160174358 546944492 /nfs/dbraw/zinc/94/44/92/546944492.db2.gz XPKKZCMSSFHFGK-UHFFFAOYSA-N -1 1 339.330 3.175 20 70 EGIDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1C ZINC000160479273 455464903 /nfs/dbraw/zinc/46/49/03/455464903.db2.gz MOZMQKBDEDENJU-UHFFFAOYSA-N -1 1 333.335 3.155 20 70 EGIDMM Cc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000161390677 546955948 /nfs/dbraw/zinc/95/59/48/546955948.db2.gz VRGBEJBJRGFXTD-UHFFFAOYSA-N -1 1 339.395 3.222 20 70 EGIDMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)cc1 ZINC000160766305 206312830 /nfs/dbraw/zinc/31/28/30/206312830.db2.gz ZFYZPJDOHPGDSU-UHFFFAOYSA-N -1 1 346.452 3.220 20 70 EGIDMM C[C@@H](O[N-]C(=O)CCCc1ccccc1)C(=O)Nc1ccccc1 ZINC000160796224 206314353 /nfs/dbraw/zinc/31/43/53/206314353.db2.gz PYLBQYJCYMAXNN-OAHLLOKOSA-N -1 1 326.396 3.084 20 70 EGIDMM C[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccc(F)cc1F 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Cc1cccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1Br ZINC000160812576 455501985 /nfs/dbraw/zinc/50/19/85/455501985.db2.gz FCUIWXOBPOEINS-UHFFFAOYSA-N -1 1 349.110 3.147 20 70 EGIDMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1C ZINC000160494341 455466593 /nfs/dbraw/zinc/46/65/93/455466593.db2.gz HALRLHBMBGLODA-UHFFFAOYSA-N -1 1 333.335 3.155 20 70 EGIDMM CC[C@H](C)c1cc(C(=O)[N-]c2n[nH]c(-c3ccccc3OC)n2)on1 ZINC000161480910 455574119 /nfs/dbraw/zinc/57/41/19/455574119.db2.gz YFCBECUWEXSDEO-JTQLQIEISA-N -1 1 341.371 3.234 20 70 EGIDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2cccc(F)c2)n[nH]1 ZINC000159866218 455411326 /nfs/dbraw/zinc/41/13/26/455411326.db2.gz YIVMLSDHJDKIRV-NSHDSACASA-N -1 1 325.409 3.394 20 70 EGIDMM CCc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2C)cc1CC ZINC000160093236 529699270 /nfs/dbraw/zinc/69/92/70/529699270.db2.gz RMGGDGNEGYVCRA-UHFFFAOYSA-N -1 1 346.452 3.020 20 70 EGIDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1 ZINC000161184868 307899855 /nfs/dbraw/zinc/89/98/55/307899855.db2.gz 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