smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)CNC(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000161275565 364473503 /nfs/dbraw/zinc/47/35/03/364473503.db2.gz MAOJWOZUYNDIEU-UHFFFAOYSA-N -1 3 287.319 1.033 20 70 CDIDHM CN(C[C@H]1CCC[C@H]1O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000161440618 364493686 /nfs/dbraw/zinc/49/36/86/364493686.db2.gz DLORFTPWSZUYRP-DGCLKSJQSA-N -1 3 296.342 1.834 20 70 CDIDHM Cc1ccc(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)c([O-])c1 ZINC000160342084 345982154 /nfs/dbraw/zinc/98/21/54/345982154.db2.gz VXTYGZUYOFGSCQ-DGCLKSJQSA-N -1 3 288.347 1.441 20 70 CDIDHM CCc1nn(C)c(Cl)c1C(=O)[N-]OCC(C)C ZINC000159630015 364242842 /nfs/dbraw/zinc/24/28/42/364242842.db2.gz NNXNKHFGIYFDNP-UHFFFAOYSA-N -1 3 259.737 1.953 20 70 CDIDHM CCOC(=O)C1CCN(Cc2nc(CC)cc(=O)[n-]2)CC1 ZINC000160480012 364358302 /nfs/dbraw/zinc/35/83/02/364358302.db2.gz LCTOJHFPRKJEKH-UHFFFAOYSA-N -1 3 293.367 1.520 20 70 CDIDHM CCOC(=O)N1CCN(Cc2nc(CC)cc(=O)[n-]2)CC1 ZINC000160485588 364360654 /nfs/dbraw/zinc/36/06/54/364360654.db2.gz QBOBESSOEHVPJI-UHFFFAOYSA-N -1 3 294.355 1.019 20 70 CDIDHM Cc1ccc(-c2nnc(NC(=O)c3ccnn3C)[n-]2)o1 ZINC000160246091 390945769 /nfs/dbraw/zinc/94/57/69/390945769.db2.gz LZCYSYNIQDDOHO-UHFFFAOYSA-N -1 3 272.268 1.359 20 70 CDIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccnn3C)n2)o1 ZINC000160246091 390945770 /nfs/dbraw/zinc/94/57/70/390945770.db2.gz LZCYSYNIQDDOHO-UHFFFAOYSA-N -1 3 272.268 1.359 20 70 CDIDHM Cc1ccc(-c2nc(NC(=O)c3ccnn3C)n[n-]2)o1 ZINC000160246091 390945771 /nfs/dbraw/zinc/94/57/71/390945771.db2.gz LZCYSYNIQDDOHO-UHFFFAOYSA-N -1 3 272.268 1.359 20 70 CDIDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000160313174 364333736 /nfs/dbraw/zinc/33/37/36/364333736.db2.gz NDULXRACIQNGHE-GFCCVEGCSA-N -1 3 293.335 1.713 20 70 CDIDHM CCc1nn(C)c(Cl)c1C(=O)[N-]c1nncs1 ZINC000161033675 364440031 /nfs/dbraw/zinc/44/00/31/364440031.db2.gz XNLKFXWIGLLCDU-UHFFFAOYSA-N -1 3 271.733 1.740 20 70 CDIDHM Cc1cc(=O)[n-]c([C@H](C)SCCN2CCOCC2)n1 ZINC000160037931 364298585 /nfs/dbraw/zinc/29/85/85/364298585.db2.gz FWFKJCUEUXDDLO-NSHDSACASA-N -1 3 283.397 1.617 20 70 CDIDHM CS[C@H](C)CC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000160833495 364417185 /nfs/dbraw/zinc/41/71/85/364417185.db2.gz UQMQHBWZKXUFAS-MRVPVSSYSA-N -1 3 277.353 1.947 20 70 CDIDHM CS[C@H](C)CC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000160833495 364417188 /nfs/dbraw/zinc/41/71/88/364417188.db2.gz UQMQHBWZKXUFAS-MRVPVSSYSA-N -1 3 277.353 1.947 20 70 CDIDHM CS[C@H](C)CC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000160833495 364417192 /nfs/dbraw/zinc/41/71/92/364417192.db2.gz UQMQHBWZKXUFAS-MRVPVSSYSA-N -1 3 277.353 1.947 20 70 CDIDHM COc1ccc([O-])c(C(=O)NCC2(CO)CCCC2)c1 ZINC000160317034 362412508 /nfs/dbraw/zinc/41/25/08/362412508.db2.gz HXXSBWXGCSVLLJ-UHFFFAOYSA-N -1 3 279.336 1.683 20 70 CDIDHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)OC[C@@H]2C)n1 ZINC000160779136 364407340 /nfs/dbraw/zinc/40/73/40/364407340.db2.gz NPNXLGUOGRZGLA-VHSXEESVSA-N -1 3 251.330 1.354 20 70 CDIDHM CC[C@@H](O)CCNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000160877843 364422655 /nfs/dbraw/zinc/42/26/55/364422655.db2.gz SLETVAFOEFDEJY-LLVKDONJSA-N -1 3 280.324 1.241 20 70 CDIDHM COc1ccc(C(=O)NC[C@@H](C)SC)c([O-])c1 ZINC000159438077 364206832 /nfs/dbraw/zinc/20/68/32/364206832.db2.gz KNEBOYDVNBBHFY-MRVPVSSYSA-N -1 3 255.339 1.882 20 70 CDIDHM CCc1nnc(CO[N-]C(=O)Cc2ccc(C)cc2)o1 ZINC000160759691 364406199 /nfs/dbraw/zinc/40/61/99/364406199.db2.gz PSONEYKPUQQXDL-UHFFFAOYSA-N -1 3 275.308 1.731 20 70 CDIDHM CCOCCC1(CNC(=O)c2c[n-]nn2)CCC1 ZINC000161377207 364486480 /nfs/dbraw/zinc/48/64/80/364486480.db2.gz RJYRSXLOZVVPIO-UHFFFAOYSA-N -1 3 252.318 1.131 20 70 CDIDHM CCOCCC1(CNC(=O)c2cnn[n-]2)CCC1 ZINC000161377207 364486486 /nfs/dbraw/zinc/48/64/86/364486486.db2.gz RJYRSXLOZVVPIO-UHFFFAOYSA-N -1 3 252.318 1.131 20 70 CDIDHM CCOCCC1(CNC(=O)c2cn[n-]n2)CCC1 ZINC000161377207 364486490 /nfs/dbraw/zinc/48/64/90/364486490.db2.gz RJYRSXLOZVVPIO-UHFFFAOYSA-N -1 3 252.318 1.131 20 70 CDIDHM Cn1nccc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000161386840 377613401 /nfs/dbraw/zinc/61/34/01/377613401.db2.gz KIQDDEPJNOCSCO-UHFFFAOYSA-N -1 3 272.337 1.893 20 70 CDIDHM CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H](CN)C1CC1 ZINC000160163169 362401493 /nfs/dbraw/zinc/40/14/93/362401493.db2.gz LJPBRSVZOPXGDJ-JTQLQIEISA-N -1 3 278.381 1.154 20 70 CDIDHM O=C(NOCCC(F)(F)F)c1c([O-])cccc1O ZINC000160999527 364437204 /nfs/dbraw/zinc/43/72/04/364437204.db2.gz BERPSNZPLFVAHY-UHFFFAOYSA-N -1 3 265.187 1.712 20 70 CDIDHM O=C(c1ccc(=O)[nH]n1)N1CCCc2cccc([O-])c21 ZINC000217744964 367257842 /nfs/dbraw/zinc/25/78/42/367257842.db2.gz LMZFPNXYDRREQO-UHFFFAOYSA-N -1 3 271.276 1.069 20 70 CDIDHM CCc1noc(C)c1CS(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000160363527 364340623 /nfs/dbraw/zinc/34/06/23/364340623.db2.gz QVKUESVLGACRAD-UHFFFAOYSA-N -1 3 296.352 1.515 20 70 CDIDHM CCc1noc(C)c1CS(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000160363527 364340624 /nfs/dbraw/zinc/34/06/24/364340624.db2.gz QVKUESVLGACRAD-UHFFFAOYSA-N -1 3 296.352 1.515 20 70 CDIDHM CC[C@H](C)OCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000160500889 364363211 /nfs/dbraw/zinc/36/32/11/364363211.db2.gz YIRRRJKQLUUQLI-YFKPBYRVSA-N -1 3 266.223 1.577 20 70 CDIDHM CC[C@H](C)OCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000160500889 364363217 /nfs/dbraw/zinc/36/32/17/364363217.db2.gz YIRRRJKQLUUQLI-YFKPBYRVSA-N -1 3 266.223 1.577 20 70 CDIDHM Cc1cccc(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1[O-] ZINC000160348056 345993469 /nfs/dbraw/zinc/99/34/69/345993469.db2.gz KKDQGUXWVDSUPO-YPMHNXCESA-N -1 3 288.347 1.441 20 70 CDIDHM CC(C)CON=C([O-])Nc1cnn(CC(F)F)c1 ZINC000160501003 364363628 /nfs/dbraw/zinc/36/36/28/364363628.db2.gz AXGUURNLCZCTJP-UHFFFAOYSA-N -1 3 262.260 1.857 20 70 CDIDHM CC(C)CO[N-]C(=O)Nc1cnn(CC(F)F)c1 ZINC000160501003 364363630 /nfs/dbraw/zinc/36/36/30/364363630.db2.gz AXGUURNLCZCTJP-UHFFFAOYSA-N -1 3 262.260 1.857 20 70 CDIDHM CCc1cc(=O)[n-]c(CN2CCN(CC(C)C)CC2)n1 ZINC000160583628 364376743 /nfs/dbraw/zinc/37/67/43/364376743.db2.gz WHCMFMGEWUPNQV-UHFFFAOYSA-N -1 3 278.400 1.518 20 70 CDIDHM CC1([N-]S(=O)(=O)c2ccc(F)c(F)c2)CCOCC1 ZINC000161036626 364441242 /nfs/dbraw/zinc/44/12/42/364441242.db2.gz NGXKSZZGDZLJDJ-UHFFFAOYSA-N -1 3 291.319 1.812 20 70 CDIDHM CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccccc1[O-] ZINC000218597704 414461345 /nfs/dbraw/zinc/46/13/45/414461345.db2.gz RFAWWPPVNMQEFD-LLVKDONJSA-N -1 3 286.397 1.401 20 70 CDIDHM Cc1nn(C)c(=O)c(C(=O)Nc2ccccc2[O-])c1C ZINC000160712928 237185198 /nfs/dbraw/zinc/18/51/98/237185198.db2.gz HNIIEXQSKFCFHX-UHFFFAOYSA-N -1 3 273.292 1.355 20 70 CDIDHM Cc1cc([N-]C(=O)[C@H](C)Nc2cc(C)n(C)n2)on1 ZINC000159660577 361762850 /nfs/dbraw/zinc/76/28/50/361762850.db2.gz KIFNSJXLXFVMBT-VIFPVBQESA-N -1 3 263.301 1.464 20 70 CDIDHM Cc1noc(C)c1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000160187332 364317201 /nfs/dbraw/zinc/31/72/01/364317201.db2.gz QKWVAJNEXXXKDP-UHFFFAOYSA-N -1 3 270.354 1.760 20 70 CDIDHM CCCOCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160439414 364354556 /nfs/dbraw/zinc/35/45/56/364354556.db2.gz WTXHKSRRHMAXJS-UHFFFAOYSA-N -1 3 264.285 1.738 20 70 CDIDHM CCCOCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160439414 364354561 /nfs/dbraw/zinc/35/45/61/364354561.db2.gz WTXHKSRRHMAXJS-UHFFFAOYSA-N -1 3 264.285 1.738 20 70 CDIDHM CCCOCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160439414 364354565 /nfs/dbraw/zinc/35/45/65/364354565.db2.gz WTXHKSRRHMAXJS-UHFFFAOYSA-N -1 3 264.285 1.738 20 70 CDIDHM Cc1ccc(C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)c([O-])c1 ZINC000160342338 345982280 /nfs/dbraw/zinc/98/22/80/345982280.db2.gz VXTYGZUYOFGSCQ-WCQYABFASA-N -1 3 288.347 1.441 20 70 CDIDHM CS[C@@H](C)CC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000160833372 364417327 /nfs/dbraw/zinc/41/73/27/364417327.db2.gz UQMQHBWZKXUFAS-QMMMGPOBSA-N -1 3 277.353 1.947 20 70 CDIDHM CS[C@@H](C)CC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000160833372 364417330 /nfs/dbraw/zinc/41/73/30/364417330.db2.gz UQMQHBWZKXUFAS-QMMMGPOBSA-N -1 3 277.353 1.947 20 70 CDIDHM CS[C@@H](C)CC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000160833372 364417333 /nfs/dbraw/zinc/41/73/33/364417333.db2.gz UQMQHBWZKXUFAS-QMMMGPOBSA-N -1 3 277.353 1.947 20 70 CDIDHM CC(C)=CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000160858934 364421200 /nfs/dbraw/zinc/42/12/00/364421200.db2.gz XJRWHDBOVLQZNV-UHFFFAOYSA-N -1 3 288.347 1.643 20 70 CDIDHM O=C(Nc1ccncc1[O-])[C@@H]1CCn2ccnc2C1 ZINC000161502742 342483646 /nfs/dbraw/zinc/48/36/46/342483646.db2.gz VZVDZSIBIDIOOF-SECBINFHSA-N -1 3 258.281 1.185 20 70 CDIDHM COc1cc(C(=O)[N-]c2cc(F)ccc2O)on1 ZINC000159428110 362321128 /nfs/dbraw/zinc/32/11/28/362321128.db2.gz MNRSIJUDNDGPNY-UHFFFAOYSA-N -1 3 252.201 1.780 20 70 CDIDHM O=C(c1cccc([O-])c1)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000160346373 345989240 /nfs/dbraw/zinc/98/92/40/345989240.db2.gz YRHBGXVZXPUEDJ-DGCLKSJQSA-N -1 3 274.320 1.133 20 70 CDIDHM O=C(NCCc1cc2ccccc2[nH]1)c1c[n-]nn1 ZINC000159522008 237149055 /nfs/dbraw/zinc/14/90/55/237149055.db2.gz YFLOGYAZAHSWGI-UHFFFAOYSA-N -1 3 255.281 1.259 20 70 CDIDHM O=C(NCCc1cc2ccccc2[nH]1)c1cnn[n-]1 ZINC000159522008 237149061 /nfs/dbraw/zinc/14/90/61/237149061.db2.gz YFLOGYAZAHSWGI-UHFFFAOYSA-N -1 3 255.281 1.259 20 70 CDIDHM O=C(NCCc1cc2ccccc2[nH]1)c1cn[n-]n1 ZINC000159522008 237149071 /nfs/dbraw/zinc/14/90/71/237149071.db2.gz YFLOGYAZAHSWGI-UHFFFAOYSA-N -1 3 255.281 1.259 20 70 CDIDHM CCc1cc(=O)[n-]c(CN2CCOC(C)(C)C2)n1 ZINC000160828403 529566203 /nfs/dbraw/zinc/56/62/03/529566203.db2.gz GVTOTGFOIBCAPV-UHFFFAOYSA-N -1 3 251.330 1.355 20 70 CDIDHM COc1cc(C(=O)Nc2cn[nH]c2)cc(OC)c1[O-] ZINC000159828974 363357027 /nfs/dbraw/zinc/35/70/27/363357027.db2.gz SCBWIDXYIJNOIG-UHFFFAOYSA-N -1 3 263.253 1.385 20 70 CDIDHM O=S(=O)(Cc1ccon1)[N-]C[C@H](O)C1CCCCC1 ZINC000159548058 364232160 /nfs/dbraw/zinc/23/21/60/364232160.db2.gz CHARNKXKHCARHF-LBPRGKRZSA-N -1 3 288.369 1.035 20 70 CDIDHM Cc1ccc(-c2nnc(NC(=O)C3CCOCC3)[n-]2)o1 ZINC000160238179 364323254 /nfs/dbraw/zinc/32/32/54/364323254.db2.gz LQODTWIWUPBGMI-UHFFFAOYSA-N -1 3 276.296 1.738 20 70 CDIDHM Cc1ccc(-c2n[n-]c(NC(=O)C3CCOCC3)n2)o1 ZINC000160238179 364323263 /nfs/dbraw/zinc/32/32/63/364323263.db2.gz LQODTWIWUPBGMI-UHFFFAOYSA-N -1 3 276.296 1.738 20 70 CDIDHM Cc1ccc(-c2nc(NC(=O)C3CCOCC3)n[n-]2)o1 ZINC000160238179 364323271 /nfs/dbraw/zinc/32/32/71/364323271.db2.gz LQODTWIWUPBGMI-UHFFFAOYSA-N -1 3 276.296 1.738 20 70 CDIDHM CC[C@@H](COC)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000160331876 364336630 /nfs/dbraw/zinc/33/66/30/364336630.db2.gz DAIPBRQMNJAKLC-VIFPVBQESA-N -1 3 279.308 1.668 20 70 CDIDHM CCCC1(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000160651571 364389709 /nfs/dbraw/zinc/38/97/09/364389709.db2.gz CMDTYBYYSQBYGP-UHFFFAOYSA-N -1 3 286.331 1.880 20 70 CDIDHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2cn[nH]c2)ccc1F ZINC000160129882 363678354 /nfs/dbraw/zinc/67/83/54/363678354.db2.gz MNWADAPMGANEKZ-UHFFFAOYSA-N -1 3 298.299 1.173 20 70 CDIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@H]4CC[C@@H]3O4)[n-]2)o1 ZINC000160244236 364324932 /nfs/dbraw/zinc/32/49/32/364324932.db2.gz MUCSRLXPEIBURJ-UTLUCORTSA-N -1 3 288.307 1.879 20 70 CDIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@H]4CC[C@@H]3O4)n2)o1 ZINC000160244236 364324940 /nfs/dbraw/zinc/32/49/40/364324940.db2.gz MUCSRLXPEIBURJ-UTLUCORTSA-N -1 3 288.307 1.879 20 70 CDIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@H]4CC[C@@H]3O4)n[n-]2)o1 ZINC000160244236 364324946 /nfs/dbraw/zinc/32/49/46/364324946.db2.gz MUCSRLXPEIBURJ-UTLUCORTSA-N -1 3 288.307 1.879 20 70 CDIDHM CC[C@H](COC)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000160332019 364336848 /nfs/dbraw/zinc/33/68/48/364336848.db2.gz DAIPBRQMNJAKLC-SECBINFHSA-N -1 3 279.308 1.668 20 70 CDIDHM CC1(C)C[C@@H](NC(=O)/C=C/c2cncc([O-])c2)CCO1 ZINC000161459061 377651031 /nfs/dbraw/zinc/65/10/31/377651031.db2.gz SHXMLRWWYSWXMX-PCAWENJQSA-N -1 3 276.336 1.874 20 70 CDIDHM Cc1ccc(-c2nnc(NC(=O)c3n[nH]c4c3CCC4)[n-]2)o1 ZINC000160319908 390978684 /nfs/dbraw/zinc/97/86/84/390978684.db2.gz JUOHDYFGJWYIGO-UHFFFAOYSA-N -1 3 298.306 1.837 20 70 CDIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3n[nH]c4c3CCC4)n2)o1 ZINC000160319908 390978685 /nfs/dbraw/zinc/97/86/85/390978685.db2.gz JUOHDYFGJWYIGO-UHFFFAOYSA-N -1 3 298.306 1.837 20 70 CDIDHM Cc1ccc(-c2nc(NC(=O)c3n[nH]c4c3CCC4)n[n-]2)o1 ZINC000160319908 390978686 /nfs/dbraw/zinc/97/86/86/390978686.db2.gz JUOHDYFGJWYIGO-UHFFFAOYSA-N -1 3 298.306 1.837 20 70 CDIDHM O=C(Nc1ccncc1[O-])[C@H]1CCn2ccnc2C1 ZINC000161502860 342483654 /nfs/dbraw/zinc/48/36/54/342483654.db2.gz VZVDZSIBIDIOOF-VIFPVBQESA-N -1 3 258.281 1.185 20 70 CDIDHM CN(C(=O)c1ccc2n[n-]nc2c1)c1ccc2c(c1)OCO2 ZINC000160412094 363854967 /nfs/dbraw/zinc/85/49/67/363854967.db2.gz MUSVUXGVCRVKEC-UHFFFAOYSA-N -1 3 296.286 1.963 20 70 CDIDHM CO[C@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160426222 364350820 /nfs/dbraw/zinc/35/08/20/364350820.db2.gz HBGBORLPJQFTIR-SSDOTTSWSA-N -1 3 250.258 1.347 20 70 CDIDHM CO[C@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160426222 364350824 /nfs/dbraw/zinc/35/08/24/364350824.db2.gz HBGBORLPJQFTIR-SSDOTTSWSA-N -1 3 250.258 1.347 20 70 CDIDHM CO[C@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160426222 364350829 /nfs/dbraw/zinc/35/08/29/364350829.db2.gz HBGBORLPJQFTIR-SSDOTTSWSA-N -1 3 250.258 1.347 20 70 CDIDHM CCC(CC)([N-]S(=O)(=O)c1cccs1)C(N)=O ZINC000161216998 521477140 /nfs/dbraw/zinc/47/71/40/521477140.db2.gz PNWSEQFJNXWLSG-UHFFFAOYSA-N -1 3 276.383 1.071 20 70 CDIDHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccncc2)c1 ZINC000159509236 360458205 /nfs/dbraw/zinc/45/82/05/360458205.db2.gz UNAMEGVOCUPXRH-UHFFFAOYSA-N -1 3 280.353 1.338 20 70 CDIDHM CCO[C@@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160284861 364328996 /nfs/dbraw/zinc/32/89/96/364328996.db2.gz LEHJIYMFDVHYFN-QMMMGPOBSA-N -1 3 264.285 1.737 20 70 CDIDHM CCO[C@@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160284861 364329000 /nfs/dbraw/zinc/32/90/00/364329000.db2.gz LEHJIYMFDVHYFN-QMMMGPOBSA-N -1 3 264.285 1.737 20 70 CDIDHM CCO[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160284861 364329002 /nfs/dbraw/zinc/32/90/02/364329002.db2.gz LEHJIYMFDVHYFN-QMMMGPOBSA-N -1 3 264.285 1.737 20 70 CDIDHM CC[C@@H](COC)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000160309436 364333286 /nfs/dbraw/zinc/33/32/86/364333286.db2.gz HKVOUGOYQRWQFJ-JTQLQIEISA-N 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/nfs/dbraw/zinc/80/45/09/292804509.db2.gz MOZPKKLYNFTSIQ-UHFFFAOYSA-N -1 3 272.304 1.960 20 70 CDIDHM CC1(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000160948993 362216194 /nfs/dbraw/zinc/21/61/94/362216194.db2.gz HQPXDTJPOKOBGB-UHFFFAOYSA-N -1 3 288.347 1.477 20 70 CDIDHM CCN(CCCO)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000161431605 362984842 /nfs/dbraw/zinc/98/48/42/362984842.db2.gz BJMGUTCVPHEBAJ-UHFFFAOYSA-N -1 3 277.320 1.703 20 70 CDIDHM Cc1cc(C(=O)NC[C@H](O)c2ccsc2)[n-]c(=O)n1 ZINC000159615815 364241420 /nfs/dbraw/zinc/24/14/20/364241420.db2.gz NTIWSPKDBKDUIR-JTQLQIEISA-N -1 3 279.321 1.016 20 70 CDIDHM Cc1nn(C)c(C)c1CCC(=O)[N-]OCc1cccnc1 ZINC000160854852 364419970 /nfs/dbraw/zinc/41/99/70/364419970.db2.gz FVQKGHQZZGRCDW-UHFFFAOYSA-N -1 3 288.351 1.613 20 70 CDIDHM COc1ccc(C(=O)NCC2(CO)CCCC2)c([O-])c1 ZINC000160267725 362406423 /nfs/dbraw/zinc/40/64/23/362406423.db2.gz MBZITMFGBXVVBI-UHFFFAOYSA-N -1 3 279.336 1.683 20 70 CDIDHM CN1C(=O)CC[C@@H]([N-]c2nnc(C(F)(F)F)s2)C1=O ZINC000160340696 362414184 /nfs/dbraw/zinc/41/41/84/362414184.db2.gz ZGJFUAQMLAPELH-SCSAIBSYSA-N -1 3 294.258 1.116 20 70 CDIDHM CCc1cccc(C(=O)NCC[C@@H](O)CC)c1[O-] ZINC000160880764 538852101 /nfs/dbraw/zinc/85/21/01/538852101.db2.gz ZWKIKLAEDCWWHM-NSHDSACASA-N -1 3 251.326 1.845 20 70 CDIDHM COc1cc(C(=O)NC(C)(C)C)cc(OC)c1[O-] ZINC000161323862 364477583 /nfs/dbraw/zinc/47/75/83/364477583.db2.gz VLCLQQYXCDGUPP-UHFFFAOYSA-N -1 3 253.298 1.938 20 70 CDIDHM CC(C)c1nc(S(=O)(=O)[N-]C2(C)CCOCC2)c[nH]1 ZINC000160994623 539117069 /nfs/dbraw/zinc/11/70/69/539117069.db2.gz OQYFZQPZMQNDKR-UHFFFAOYSA-N -1 3 287.385 1.381 20 70 CDIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCO3)[n-]2)o1 ZINC000160432941 364352602 /nfs/dbraw/zinc/35/26/02/364352602.db2.gz SIIZUNSFDGKRIU-SECBINFHSA-N -1 3 262.269 1.491 20 70 CDIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CCCO3)n2)o1 ZINC000160432941 364352608 /nfs/dbraw/zinc/35/26/08/364352608.db2.gz SIIZUNSFDGKRIU-SECBINFHSA-N -1 3 262.269 1.491 20 70 CDIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCCO3)n[n-]2)o1 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362488950 /nfs/dbraw/zinc/48/89/50/362488950.db2.gz SDJXTKWQTCQZRQ-UHFFFAOYSA-N -1 3 272.642 1.999 20 70 CDIDHM CN1C(=O)CC[C@H]([N-]c2nnc(C(F)(F)F)s2)C1=O ZINC000160340588 282621603 /nfs/dbraw/zinc/62/16/03/282621603.db2.gz ZGJFUAQMLAPELH-BYPYZUCNSA-N -1 3 294.258 1.116 20 70 CDIDHM Cc1cc([N-]C(=O)c2csc(S(C)(=O)=O)c2)no1 ZINC000160482974 363932697 /nfs/dbraw/zinc/93/26/97/363932697.db2.gz FNKCSHMGYIEYDJ-UHFFFAOYSA-N -1 3 286.334 1.700 20 70 CDIDHM Cc1cc([N-]C(=O)CN(C)OCc2ccccc2)on1 ZINC000159595093 364239626 /nfs/dbraw/zinc/23/96/26/364239626.db2.gz OBTGAXIKQHTIJQ-UHFFFAOYSA-N -1 3 275.308 1.985 20 70 CDIDHM CCOC(=O)C[C@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000160309665 364746147 /nfs/dbraw/zinc/74/61/47/364746147.db2.gz AZWYMHDCBKBACG-QMMMGPOBSA-N -1 3 276.296 1.029 20 70 CDIDHM C[C@H](CNS(=O)(=O)c1ccc([O-])cc1)N1CCCC1 ZINC000161316101 377557153 /nfs/dbraw/zinc/55/71/53/377557153.db2.gz MCDAVTACKPSEII-LLVKDONJSA-N -1 3 284.381 1.155 20 70 CDIDHM NC(=O)[C@H]1CCCN1Cc1cc([O-])ccc1Br 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Cc1cc(S(=O)(=O)[N-]CC(C)(C)O)c(F)cc1F ZINC000160999478 364436561 /nfs/dbraw/zinc/43/65/61/364436561.db2.gz MDLHHRIGPFGGJT-UHFFFAOYSA-N -1 3 279.308 1.322 20 70 CDIDHM Cc1ccc(-c2nnc(NC(=O)c3cnc(C)cn3)[n-]2)o1 ZINC000160363326 525853020 /nfs/dbraw/zinc/85/30/20/525853020.db2.gz BEAVWEINJXDVNU-UHFFFAOYSA-N -1 3 284.279 1.724 20 70 CDIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cnc(C)cn3)n2)o1 ZINC000160363326 525853024 /nfs/dbraw/zinc/85/30/24/525853024.db2.gz BEAVWEINJXDVNU-UHFFFAOYSA-N -1 3 284.279 1.724 20 70 CDIDHM Cc1ccc(-c2nc(NC(=O)c3cnc(C)cn3)n[n-]2)o1 ZINC000160363326 525853029 /nfs/dbraw/zinc/85/30/29/525853029.db2.gz BEAVWEINJXDVNU-UHFFFAOYSA-N -1 3 284.279 1.724 20 70 CDIDHM O=C(NCc1ccc2c(c1)OCO2)c1ccc(O)cc1[O-] ZINC000217450905 360834650 /nfs/dbraw/zinc/83/46/50/360834650.db2.gz SYDHVEDUQBEDDM-UHFFFAOYSA-N -1 3 287.271 1.757 20 70 CDIDHM CN(Cc1nc(=O)c2sccc2[n-]1)[C@H](CN)C1CC1 ZINC000160163294 289772805 /nfs/dbraw/zinc/77/28/05/289772805.db2.gz LJPBRSVZOPXGDJ-SNVBAGLBSA-N -1 3 278.381 1.154 20 70 CDIDHM CCN(C)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000159922252 292773688 /nfs/dbraw/zinc/77/36/88/292773688.db2.gz QLNPQMCUCNWGNH-UHFFFAOYSA-N -1 3 276.340 1.463 20 70 CDIDHM NC(=O)[C@H]1CCCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000161336496 292804503 /nfs/dbraw/zinc/80/45/03/292804503.db2.gz LROJCJGQBXTHLS-GFCCVEGCSA-N -1 3 296.754 1.455 20 70 CDIDHM CC[C@H](COC)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000160309560 364333304 /nfs/dbraw/zinc/33/33/04/364333304.db2.gz HKVOUGOYQRWQFJ-SNVBAGLBSA-N -1 3 275.345 1.837 20 70 CDIDHM CCc1n[n-]c(S(=O)(=O)Cc2c(C)onc2CC)n1 ZINC000160394885 364345760 /nfs/dbraw/zinc/34/57/60/364345760.db2.gz PACCVSWJDYTQHI-UHFFFAOYSA-N -1 3 284.341 1.200 20 70 CDIDHM CCc1nnc(S(=O)(=O)Cc2c(C)onc2CC)[n-]1 ZINC000160394885 364345768 /nfs/dbraw/zinc/34/57/68/364345768.db2.gz PACCVSWJDYTQHI-UHFFFAOYSA-N -1 3 284.341 1.200 20 70 CDIDHM Cc1ccc(C(=O)NCCSCCCO)c([O-])c1C ZINC000161463887 364498163 /nfs/dbraw/zinc/49/81/63/364498163.db2.gz WTUHAXFYMNDBMQ-UHFFFAOYSA-N -1 3 283.393 1.854 20 70 CDIDHM CO[C@@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160426357 364350370 /nfs/dbraw/zinc/35/03/70/364350370.db2.gz HBGBORLPJQFTIR-ZETCQYMHSA-N -1 3 250.258 1.347 20 70 CDIDHM CO[C@@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160426357 364350376 /nfs/dbraw/zinc/35/03/76/364350376.db2.gz HBGBORLPJQFTIR-ZETCQYMHSA-N -1 3 250.258 1.347 20 70 CDIDHM CO[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160426357 364350381 /nfs/dbraw/zinc/35/03/81/364350381.db2.gz HBGBORLPJQFTIR-ZETCQYMHSA-N -1 3 250.258 1.347 20 70 CDIDHM Cc1ccc(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)c([O-])c1 ZINC000160342446 345982126 /nfs/dbraw/zinc/98/21/26/345982126.db2.gz VXTYGZUYOFGSCQ-AAEUAGOBSA-N -1 3 288.347 1.441 20 70 CDIDHM CC(C)CN(C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC000159999729 364292470 /nfs/dbraw/zinc/29/24/70/364292470.db2.gz AUPAZLJIIPXKFU-UHFFFAOYSA-N -1 3 286.331 1.831 20 70 CDIDHM CC(C)=CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000160042318 364299566 /nfs/dbraw/zinc/29/95/66/364299566.db2.gz DLVZRYUOPKWSKC-UHFFFAOYSA-N -1 3 288.347 1.643 20 70 CDIDHM CCc1cc(=O)[n-]c(CN(C)CC(=O)N(CC)CC)n1 ZINC000160582834 364377511 /nfs/dbraw/zinc/37/75/11/364377511.db2.gz IRQHEPYROUYJOX-UHFFFAOYSA-N -1 3 280.372 1.045 20 70 CDIDHM CCc1cc(=O)[n-]c(CN2CCN(C(C)C)CC2)n1 ZINC000160771889 364407451 /nfs/dbraw/zinc/40/74/51/364407451.db2.gz PVMKGTIBJWVFCD-UHFFFAOYSA-N -1 3 264.373 1.271 20 70 CDIDHM CC1([N-]S(=O)(=O)c2ccc(F)cc2F)CCOCC1 ZINC000160998779 364437051 /nfs/dbraw/zinc/43/70/51/364437051.db2.gz HGSVABYIIRMXMA-UHFFFAOYSA-N -1 3 291.319 1.812 20 70 CDIDHM CC1(C)C[C@H](NC(=O)/C=C/c2cncc([O-])c2)CCO1 ZINC000161458949 377651198 /nfs/dbraw/zinc/65/11/98/377651198.db2.gz SHXMLRWWYSWXMX-AAOUONPWSA-N -1 3 276.336 1.874 20 70 CDIDHM Cc1ccc(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c([O-])c1 ZINC000160342223 345982184 /nfs/dbraw/zinc/98/21/84/345982184.db2.gz VXTYGZUYOFGSCQ-YPMHNXCESA-N -1 3 288.347 1.441 20 70 CDIDHM CC(=O)N1CC[C@H](NC(=O)c2ccc(C)cc2[O-])C1 ZINC000159673857 292765539 /nfs/dbraw/zinc/76/55/39/292765539.db2.gz SIRHDQHQNJPBCE-NSHDSACASA-N -1 3 262.309 1.051 20 70 CDIDHM CC(C)n1nccc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000160885507 520095098 /nfs/dbraw/zinc/09/50/98/520095098.db2.gz NSUYRWOSEZMZFT-UHFFFAOYSA-N -1 3 297.322 1.896 20 70 CDIDHM CC(C)n1nccc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000160885507 520095106 /nfs/dbraw/zinc/09/51/06/520095106.db2.gz NSUYRWOSEZMZFT-UHFFFAOYSA-N -1 3 297.322 1.896 20 70 CDIDHM CC(C)n1nccc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000160885507 520095112 /nfs/dbraw/zinc/09/51/12/520095112.db2.gz NSUYRWOSEZMZFT-UHFFFAOYSA-N -1 3 297.322 1.896 20 70 CDIDHM CC[C@@H](COC)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000160281046 362407774 /nfs/dbraw/zinc/40/77/74/362407774.db2.gz ZQYDIABUGQUILR-JTQLQIEISA-N -1 3 275.345 1.837 20 70 CDIDHM COc1cc(C(=O)NCc2ccccn2)cc(OC)c1[O-] ZINC000160736450 292793718 /nfs/dbraw/zinc/79/37/18/292793718.db2.gz INPUKCFXGSCBAD-UHFFFAOYSA-N -1 3 288.303 1.734 20 70 CDIDHM CCCCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccccc1 ZINC000161200647 521370403 /nfs/dbraw/zinc/37/04/03/521370403.db2.gz QMCSDXMZITURSQ-UHFFFAOYSA-N -1 3 295.364 1.758 20 70 CDIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[n-]2)o1 ZINC000160244100 364324350 /nfs/dbraw/zinc/32/43/50/364324350.db2.gz MUCSRLXPEIBURJ-BBBLOLIVSA-N -1 3 288.307 1.879 20 70 CDIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)n2)o1 ZINC000160244100 364324355 /nfs/dbraw/zinc/32/43/55/364324355.db2.gz MUCSRLXPEIBURJ-BBBLOLIVSA-N -1 3 288.307 1.879 20 70 CDIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)n[n-]2)o1 ZINC000160244100 364324356 /nfs/dbraw/zinc/32/43/56/364324356.db2.gz MUCSRLXPEIBURJ-BBBLOLIVSA-N -1 3 288.307 1.879 20 70 CDIDHM CCOC(=O)[C@H]1CCCCN1Cc1nc(CC)cc(=O)[n-]1 ZINC000160581957 364376827 /nfs/dbraw/zinc/37/68/27/364376827.db2.gz NTGFPQLCOBDNIH-GFCCVEGCSA-N -1 3 293.367 1.662 20 70 CDIDHM CC(=O)NCCCCCC(=O)[N-]OCc1cccnc1 ZINC000160833088 364417385 /nfs/dbraw/zinc/41/73/85/364417385.db2.gz PSXADGYRNXUMIC-UHFFFAOYSA-N -1 3 279.340 1.326 20 70 CDIDHM COCCOCC(=O)N1CCCc2cccc([O-])c21 ZINC000217745291 134421202 /nfs/dbraw/zinc/42/12/02/134421202.db2.gz XUTMAYKHKVXIHO-UHFFFAOYSA-N -1 3 265.309 1.334 20 70 CDIDHM COc1cc(C(=O)NCc2ccncc2)cc(OC)c1[O-] ZINC000160738680 292793708 /nfs/dbraw/zinc/79/37/08/292793708.db2.gz AWLWCWKAGBUDEB-UHFFFAOYSA-N -1 3 288.303 1.734 20 70 CDIDHM CC(C)n1nccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000160807163 364411216 /nfs/dbraw/zinc/41/12/16/364411216.db2.gz DXFJRVDOPUPEOV-UHFFFAOYSA-N -1 3 288.233 1.853 20 70 CDIDHM CC(C)n1nccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000160807163 364411220 /nfs/dbraw/zinc/41/12/20/364411220.db2.gz DXFJRVDOPUPEOV-UHFFFAOYSA-N -1 3 288.233 1.853 20 70 CDIDHM CS[C@@H](C)CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000160812717 364413196 /nfs/dbraw/zinc/41/31/96/364413196.db2.gz KDHQXRQAOCPFBB-BYPYZUCNSA-N -1 3 268.264 1.904 20 70 CDIDHM CS[C@@H](C)CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000160812717 364413201 /nfs/dbraw/zinc/41/32/01/364413201.db2.gz KDHQXRQAOCPFBB-BYPYZUCNSA-N -1 3 268.264 1.904 20 70 CDIDHM CN(CC1CCOCC1)C(=O)c1ccc(O)cc1[O-] ZINC000218715069 280091164 /nfs/dbraw/zinc/09/11/64/280091164.db2.gz WWHIDIHZXDKYLF-UHFFFAOYSA-N -1 3 265.309 1.596 20 70 CDIDHM Cc1ccc([O-])c(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000160343841 345983795 /nfs/dbraw/zinc/98/37/95/345983795.db2.gz SCIROUMCRNUVIH-YPMHNXCESA-N -1 3 288.347 1.441 20 70 CDIDHM CCc1nn(C)c(Cl)c1C(=O)[N-]OCc1cccnc1 ZINC000159407375 364201789 /nfs/dbraw/zinc/20/17/89/364201789.db2.gz IQPHIMMHVAXUIU-UHFFFAOYSA-N -1 3 294.742 1.893 20 70 CDIDHM CC(C)NC(=O)CNC(=O)Cc1ccc([O-])cc1Cl ZINC000159657232 361760951 /nfs/dbraw/zinc/76/09/51/361760951.db2.gz KHTLYZOIGQMFMO-UHFFFAOYSA-N -1 3 284.743 1.229 20 70 CDIDHM O=C(NCC1(CO)CCCC1)c1ccc2n[n-]nc2c1 ZINC000160317515 362412460 /nfs/dbraw/zinc/41/24/60/362412460.db2.gz PJMIZYXJCKKHJQ-UHFFFAOYSA-N -1 3 274.324 1.240 20 70 CDIDHM CCc1cc(=O)[n-]c(CN2C[C@H](C)O[C@@H](C)C2)n1 ZINC000160463400 358662959 /nfs/dbraw/zinc/66/29/59/358662959.db2.gz OCYFWNJFTIQZBY-UWVGGRQHSA-N -1 3 251.330 1.354 20 70 CDIDHM CCCCNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000160731026 364402020 /nfs/dbraw/zinc/40/20/20/364402020.db2.gz ZOMIZGVUBYYLEY-UHFFFAOYSA-N -1 3 253.298 1.939 20 70 CDIDHM CCc1cc(=O)[n-]c(CN(C[C@H]2CCOC2)C2CC2)n1 ZINC000160852782 364419945 /nfs/dbraw/zinc/41/99/45/364419945.db2.gz DBYBJUYXLSMRRV-LLVKDONJSA-N -1 3 277.368 1.746 20 70 CDIDHM CCc1cc(=O)[n-]c(CN2CCN(CC3CC3)CC2)n1 ZINC000160925818 364429203 /nfs/dbraw/zinc/42/92/03/364429203.db2.gz MDTXRRCFXQVHPH-UHFFFAOYSA-N -1 3 276.384 1.272 20 70 CDIDHM CC1([N-]S(=O)(=O)c2cc(F)cc(F)c2)CCOCC1 ZINC000161000824 278470993 /nfs/dbraw/zinc/47/09/93/278470993.db2.gz HSHURDVGLGTWFO-UHFFFAOYSA-N -1 3 291.319 1.812 20 70 CDIDHM O=C(c1cccc([O-])c1)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000160346678 345989395 /nfs/dbraw/zinc/98/93/95/345989395.db2.gz YRHBGXVZXPUEDJ-WCQYABFASA-N -1 3 274.320 1.133 20 70 CDIDHM Cc1ccc(-c2nc([N-]C(=O)c3cocn3)n[nH]2)o1 ZINC000160248220 538847876 /nfs/dbraw/zinc/84/78/76/538847876.db2.gz HTMIUXBXGCCUOM-UHFFFAOYSA-N -1 3 259.225 1.613 20 70 CDIDHM O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccccc1[O-] ZINC000161366584 364484207 /nfs/dbraw/zinc/48/42/07/364484207.db2.gz HRCTXJYTOHHCRS-GFCCVEGCSA-N -1 3 283.331 1.796 20 70 CDIDHM C[C@@H](CNS(=O)(=O)c1ccc([O-])cc1)N1CCCC1 ZINC000161315988 377556204 /nfs/dbraw/zinc/55/62/04/377556204.db2.gz MCDAVTACKPSEII-NSHDSACASA-N -1 3 284.381 1.155 20 70 CDIDHM Cc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)O)cc1F ZINC000161002121 364436303 /nfs/dbraw/zinc/43/63/03/364436303.db2.gz FJUGTKUPBGXBHR-UHFFFAOYSA-N -1 3 279.308 1.322 20 70 CDIDHM O=C(Nc1cccc(OCCF)c1)c1cnn[n-]1 ZINC000160565255 364020471 /nfs/dbraw/zinc/02/04/71/364020471.db2.gz VEBFNGXJVRWKPG-UHFFFAOYSA-N -1 3 250.233 1.405 20 70 CDIDHM O=C(Nc1cccc(OCCF)c1)c1c[n-]nn1 ZINC000160565255 364020479 /nfs/dbraw/zinc/02/04/79/364020479.db2.gz VEBFNGXJVRWKPG-UHFFFAOYSA-N -1 3 250.233 1.405 20 70 CDIDHM O=C(Nc1cccc(OCCF)c1)c1cn[n-]n1 ZINC000160565255 364020483 /nfs/dbraw/zinc/02/04/83/364020483.db2.gz VEBFNGXJVRWKPG-UHFFFAOYSA-N -1 3 250.233 1.405 20 70 CDIDHM CCc1cccc(C(=O)NCC[C@H](O)CC)c1[O-] ZINC000160880653 539117000 /nfs/dbraw/zinc/11/70/00/539117000.db2.gz ZWKIKLAEDCWWHM-LLVKDONJSA-N -1 3 251.326 1.845 20 70 CDIDHM O=c1[n-]c(SCc2nccs2)nc2[nH]ncc21 ZINC000161234400 237195966 /nfs/dbraw/zinc/19/59/66/237195966.db2.gz HKIADSYBRATXLC-UHFFFAOYSA-N -1 3 265.323 1.395 20 70 CDIDHM CCO[N-]C(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F ZINC000159597685 364240689 /nfs/dbraw/zinc/24/06/89/364240689.db2.gz JCXCFYZJJDVAMD-LBPRGKRZSA-N -1 3 286.278 1.600 20 70 CDIDHM Cc1cc(C(=O)NC[C@@H](O)c2ccsc2)[n-]c(=O)n1 ZINC000159615895 364241659 /nfs/dbraw/zinc/24/16/59/364241659.db2.gz NTIWSPKDBKDUIR-SNVBAGLBSA-N -1 3 279.321 1.016 20 70 CDIDHM COC1(CNC(=O)c2cccc(C)c2[O-])CCOCC1 ZINC000159408125 539114064 /nfs/dbraw/zinc/11/40/64/539114064.db2.gz YBXYQJMRGLJRDK-UHFFFAOYSA-N -1 3 279.336 1.626 20 70 CDIDHM CCn1nccc1CNc1ccc2c(c1)C(=O)[N-]C2=O ZINC000159972280 362383542 /nfs/dbraw/zinc/38/35/42/362383542.db2.gz XFPDBYSGCUYKNT-UHFFFAOYSA-N -1 3 270.292 1.399 20 70 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1.976 20 70 CDIDHM Cc1nn(C)c(Cl)c1C(=O)[N-]OCc1cccnc1 ZINC000160844880 364419347 /nfs/dbraw/zinc/41/93/47/364419347.db2.gz IPMWIRDMIHVHRV-UHFFFAOYSA-N -1 3 280.715 1.639 20 70 CDIDHM CCc1cc(=O)[n-]c(CN(C[C@@H]2CCOC2)C2CC2)n1 ZINC000160852659 364419696 /nfs/dbraw/zinc/41/96/96/364419696.db2.gz DBYBJUYXLSMRRV-NSHDSACASA-N -1 3 277.368 1.746 20 70 CDIDHM CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ncccc1[O-] ZINC000160787718 520646201 /nfs/dbraw/zinc/64/62/01/520646201.db2.gz AKKIFGGCPGESGD-OSQNNJELSA-N -1 3 291.351 1.258 20 70 CDIDHM COCCOCCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160392616 523987982 /nfs/dbraw/zinc/98/79/82/523987982.db2.gz OLUNLWZQNNOHIX-UHFFFAOYSA-N -1 3 294.311 1.365 20 70 CDIDHM COCCOCCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160392616 523987984 /nfs/dbraw/zinc/98/79/84/523987984.db2.gz OLUNLWZQNNOHIX-UHFFFAOYSA-N -1 3 294.311 1.365 20 70 CDIDHM COCCOCCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160392616 523987989 /nfs/dbraw/zinc/98/79/89/523987989.db2.gz OLUNLWZQNNOHIX-UHFFFAOYSA-N -1 3 294.311 1.365 20 70 CDIDHM Cc1ccc([O-])c(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000160343708 345983519 /nfs/dbraw/zinc/98/35/19/345983519.db2.gz SCIROUMCRNUVIH-DGCLKSJQSA-N -1 3 288.347 1.441 20 70 CDIDHM CCc1cc(=O)[n-]c(CN2C[C@H](C)OC[C@@H]2C)n1 ZINC000160778987 364407946 /nfs/dbraw/zinc/40/79/46/364407946.db2.gz NPNXLGUOGRZGLA-UWVGGRQHSA-N -1 3 251.330 1.354 20 70 CDIDHM NC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000161336604 377590404 /nfs/dbraw/zinc/59/04/04/377590404.db2.gz LROJCJGQBXTHLS-LBPRGKRZSA-N -1 3 296.754 1.455 20 70 CDIDHM Cc1ccn(C)c(=O)c1NC(=O)c1ccc(O)cc1[O-] ZINC000161359049 534853105 /nfs/dbraw/zinc/85/31/05/534853105.db2.gz AHSORSSQLILFJX-UHFFFAOYSA-N -1 3 274.276 1.357 20 70 CDIDHM COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)CO)c1 ZINC000159709880 533828184 /nfs/dbraw/zinc/82/81/84/533828184.db2.gz JMVAKQHMLQJVNY-MRVPVSSYSA-N -1 3 293.772 1.255 20 70 CDIDHM CO[N-]C(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000159421013 292758777 /nfs/dbraw/zinc/75/87/77/292758777.db2.gz MUJJULMMGDGXBD-IUCAKERBSA-N -1 3 258.318 1.357 20 70 CDIDHM CC(C)(C)C(=O)NCCCC(=O)[N-]OCc1cccnc1 ZINC000160863624 364421321 /nfs/dbraw/zinc/42/13/21/364421321.db2.gz BTAJCXSEBRWIAY-UHFFFAOYSA-N -1 3 293.367 1.572 20 70 CDIDHM Cc1ccc(-c2nnc(NC(=O)c3cnccn3)[n-]2)o1 ZINC000160273178 390946749 /nfs/dbraw/zinc/94/67/49/390946749.db2.gz LJTDWAMPXDWMOZ-UHFFFAOYSA-N -1 3 270.252 1.415 20 70 CDIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cnccn3)n2)o1 ZINC000160273178 390946750 /nfs/dbraw/zinc/94/67/50/390946750.db2.gz LJTDWAMPXDWMOZ-UHFFFAOYSA-N -1 3 270.252 1.415 20 70 CDIDHM Cc1ccc(-c2nc(NC(=O)c3cnccn3)n[n-]2)o1 ZINC000160273178 390946751 /nfs/dbraw/zinc/94/67/51/390946751.db2.gz LJTDWAMPXDWMOZ-UHFFFAOYSA-N -1 3 270.252 1.415 20 70 CDIDHM CCCC1(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)CC1 ZINC000160559610 364006145 /nfs/dbraw/zinc/00/61/45/364006145.db2.gz IVTDHDSXEGDVBE-UHFFFAOYSA-N -1 3 277.368 1.626 20 70 CDIDHM CCC[C@@](C)(O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000159757040 364261652 /nfs/dbraw/zinc/26/16/52/364261652.db2.gz PMGFLHQHCJZATM-CYBMUJFWSA-N -1 3 255.289 1.699 20 70 CDIDHM CC(C)(C)c1nc(CCNC(=O)c2c[n-]nn2)cs1 ZINC000160714025 364400539 /nfs/dbraw/zinc/40/05/39/364400539.db2.gz KUNVWXVNLSOESP-UHFFFAOYSA-N -1 3 279.369 1.531 20 70 CDIDHM CC(C)(C)c1nc(CCNC(=O)c2cnn[n-]2)cs1 ZINC000160714025 364400545 /nfs/dbraw/zinc/40/05/45/364400545.db2.gz KUNVWXVNLSOESP-UHFFFAOYSA-N -1 3 279.369 1.531 20 70 CDIDHM CC(C)(C)c1nc(CCNC(=O)c2cn[n-]n2)cs1 ZINC000160714025 364400549 /nfs/dbraw/zinc/40/05/49/364400549.db2.gz KUNVWXVNLSOESP-UHFFFAOYSA-N -1 3 279.369 1.531 20 70 CDIDHM Cc1ccc(-c2nnc(NC(=O)C3=COCCO3)[n-]2)o1 ZINC000160258436 292033639 /nfs/dbraw/zinc/03/36/39/292033639.db2.gz NKKFTEFNPARPOI-UHFFFAOYSA-N -1 3 276.252 1.200 20 70 CDIDHM Cc1ccc(-c2n[n-]c(NC(=O)C3=COCCO3)n2)o1 ZINC000160258436 292033642 /nfs/dbraw/zinc/03/36/42/292033642.db2.gz NKKFTEFNPARPOI-UHFFFAOYSA-N -1 3 276.252 1.200 20 70 CDIDHM Cc1ccc(-c2nc(NC(=O)C3=COCCO3)n[n-]2)o1 ZINC000160258436 292033645 /nfs/dbraw/zinc/03/36/45/292033645.db2.gz NKKFTEFNPARPOI-UHFFFAOYSA-N -1 3 276.252 1.200 20 70 CDIDHM O=C(Nc1cc(F)ccc1[O-])[C@@]1(O)CCSC1 ZINC000159371325 539114078 /nfs/dbraw/zinc/11/40/78/539114078.db2.gz CORJDSPAMOXPPP-LLVKDONJSA-N -1 3 257.286 1.338 20 70 CDIDHM COCCC1(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1 ZINC000159596224 364239584 /nfs/dbraw/zinc/23/95/84/364239584.db2.gz QPRUQZKWGHUEKZ-UHFFFAOYSA-N -1 3 278.234 1.579 20 70 CDIDHM COCCC1(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000159596224 364239587 /nfs/dbraw/zinc/23/95/87/364239587.db2.gz QPRUQZKWGHUEKZ-UHFFFAOYSA-N -1 3 278.234 1.579 20 70 CDIDHM CCc1cc(=O)[n-]c(CN2CCC(N(C)C(C)=O)CC2)n1 ZINC000161015137 364438513 /nfs/dbraw/zinc/43/85/13/364438513.db2.gz LQGAMYBDWGVYRT-UHFFFAOYSA-N -1 3 292.383 1.187 20 70 CDIDHM COc1cc(C(=O)Nc2cc(C)nn2C)cc(OC)c1[O-] ZINC000159836383 292771316 /nfs/dbraw/zinc/77/13/16/292771316.db2.gz HKZWKGKUQOCLOE-UHFFFAOYSA-N -1 3 291.307 1.704 20 70 CDIDHM Cc1ccc(C(N)=O)cc1NC(=O)[N-]OCC(C)C ZINC000159699201 188437629 /nfs/dbraw/zinc/43/76/29/188437629.db2.gz LQQWIWRNKAKPLU-UHFFFAOYSA-N -1 3 265.313 1.803 20 70 CDIDHM Cc1nc(S(=O)(=O)[N-]CC2(C3CC3)CC2)cn1C ZINC000160157995 364312671 /nfs/dbraw/zinc/31/26/71/364312671.db2.gz ATPHAHQFFXZBNM-UHFFFAOYSA-N -1 3 269.370 1.197 20 70 CDIDHM CCc1cc(=O)[n-]c(CN2C[C@H](C)OC(C)(C)C2)n1 ZINC000161016132 364438309 /nfs/dbraw/zinc/43/83/09/364438309.db2.gz RGMOQPMBJSZFOO-JTQLQIEISA-N -1 3 265.357 1.744 20 70 CDIDHM O=C(c1ccccc1[O-])N1CCS[C@H]2COCC[C@H]21 ZINC000161033007 296262571 /nfs/dbraw/zinc/26/25/71/296262571.db2.gz JERIEVKPKODWIE-YPMHNXCESA-N -1 3 279.361 1.739 20 70 CDIDHM CCc1cc(=O)[n-]c(CN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000160463176 188474451 /nfs/dbraw/zinc/47/44/51/188474451.db2.gz OCYFWNJFTIQZBY-AOOOYVTPSA-N -1 3 251.330 1.354 20 70 CDIDHM COCC(C)(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000160313995 364333629 /nfs/dbraw/zinc/33/36/29/364333629.db2.gz AXJLDCDGENETML-UHFFFAOYSA-N -1 3 255.289 1.820 20 70 CDIDHM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1c[n-]nn1 ZINC000160099708 375697715 /nfs/dbraw/zinc/69/77/15/375697715.db2.gz PKSKEVHBYJOUPS-SECBINFHSA-N -1 3 250.302 1.026 20 70 CDIDHM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cnn[n-]1 ZINC000160099708 375697718 /nfs/dbraw/zinc/69/77/18/375697718.db2.gz PKSKEVHBYJOUPS-SECBINFHSA-N -1 3 250.302 1.026 20 70 CDIDHM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cn[n-]n1 ZINC000160099708 375697719 /nfs/dbraw/zinc/69/77/19/375697719.db2.gz PKSKEVHBYJOUPS-SECBINFHSA-N -1 3 250.302 1.026 20 70 CDIDHM Cc1cccc(C(=O)Nc2c(C)ccn(C)c2=O)c1[O-] ZINC000161357780 292804514 /nfs/dbraw/zinc/80/45/14/292804514.db2.gz OPTAMKFNZQBYFU-UHFFFAOYSA-N -1 3 272.304 1.960 20 70 CDIDHM CC(C)c1nc(S(=O)(=O)[N-]Cc2ccncc2)c[nH]1 ZINC000159570935 539114406 /nfs/dbraw/zinc/11/44/06/539114406.db2.gz LQKQZGSZMLHFJC-UHFFFAOYSA-N -1 3 280.353 1.407 20 70 CDIDHM Cc1cc(C(=O)N(C)CC2(O)CCOCC2)ccc1[O-] ZINC000217747179 367258548 /nfs/dbraw/zinc/25/85/48/367258548.db2.gz PGXWLDXOIFMJPK-UHFFFAOYSA-N -1 3 279.336 1.314 20 70 CDIDHM Cc1ccc([O-])c(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)c1 ZINC000160344043 345984318 /nfs/dbraw/zinc/98/43/18/345984318.db2.gz SCIROUMCRNUVIH-AAEUAGOBSA-N -1 3 288.347 1.441 20 70 CDIDHM CCc1cc(=O)[n-]c(CN(CC(=O)OC)C(C)C)n1 ZINC000160995085 364437370 /nfs/dbraw/zinc/43/73/70/364437370.db2.gz PGTNDRDVHJPOGS-UHFFFAOYSA-N -1 3 267.329 1.128 20 70 CDIDHM CCc1cc(=O)[n-]c(CN(CCOC)Cc2ccco2)n1 ZINC000160791801 364409405 /nfs/dbraw/zinc/40/94/05/364409405.db2.gz GEMULYZDLNJSCJ-UHFFFAOYSA-N -1 3 291.351 1.986 20 70 CDIDHM O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccccc1[O-] ZINC000161366707 364483957 /nfs/dbraw/zinc/48/39/57/364483957.db2.gz HRCTXJYTOHHCRS-LBPRGKRZSA-N -1 3 283.331 1.796 20 70 CDIDHM CCN(CCNS(=O)(=O)c1ccccc1[O-])C1CC1 ZINC000218587876 414452961 /nfs/dbraw/zinc/45/29/61/414452961.db2.gz MXOUSMHKUSHXOZ-UHFFFAOYSA-N -1 3 284.381 1.155 20 70 CDIDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C)CCOCC1 ZINC000161038982 360331500 /nfs/dbraw/zinc/33/15/00/360331500.db2.gz JOKZTZORZYPVJU-UHFFFAOYSA-N -1 3 274.342 1.139 20 70 CDIDHM CC[C@@H](COC)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000160306754 364331538 /nfs/dbraw/zinc/33/15/38/364331538.db2.gz MZJMHMAOLMNOOX-JTQLQIEISA-N -1 3 279.308 1.668 20 70 CDIDHM Cc1cc(=O)[n-]c([C@@H](C)SCCN2CCOCC2)n1 ZINC000160037843 364296661 /nfs/dbraw/zinc/29/66/61/364296661.db2.gz FWFKJCUEUXDDLO-LLVKDONJSA-N -1 3 283.397 1.617 20 70 CDIDHM Cc1ccc(-c2nnc(NC(=O)c3ccn(C)c(=O)c3)[n-]2)o1 ZINC000160180437 362047506 /nfs/dbraw/zinc/04/75/06/362047506.db2.gz KVFPPOMVRQZVFL-UHFFFAOYSA-N -1 3 299.290 1.324 20 70 CDIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccn(C)c(=O)c3)n2)o1 ZINC000160180437 362047512 /nfs/dbraw/zinc/04/75/12/362047512.db2.gz KVFPPOMVRQZVFL-UHFFFAOYSA-N -1 3 299.290 1.324 20 70 CDIDHM Cc1ccc(-c2nc(NC(=O)c3ccn(C)c(=O)c3)n[n-]2)o1 ZINC000160180437 362047519 /nfs/dbraw/zinc/04/75/19/362047519.db2.gz KVFPPOMVRQZVFL-UHFFFAOYSA-N -1 3 299.290 1.324 20 70 CDIDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)CO)c(F)c1 ZINC000159723835 362360746 /nfs/dbraw/zinc/36/07/46/362360746.db2.gz 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Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCCO3)n[n-]2)o1 ZINC000160868142 364422529 /nfs/dbraw/zinc/42/25/29/364422529.db2.gz DUTCRJPDZJHSTG-JTQLQIEISA-N -1 3 276.296 1.881 20 70 CDIDHM O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc(O)cc1[O-] ZINC000161376161 364486456 /nfs/dbraw/zinc/48/64/56/364486456.db2.gz IOTOSRXJMJPVBI-NSHDSACASA-N -1 3 299.330 1.502 20 70 CDIDHM COc1cccc2c1CC[C@@H]2NC(=O)c1c[n-]nn1 ZINC000160086971 377000848 /nfs/dbraw/zinc/00/08/48/377000848.db2.gz DSQVBXCHCQOZGD-JTQLQIEISA-N -1 3 258.281 1.231 20 70 CDIDHM COc1cccc2c1CC[C@@H]2NC(=O)c1cnn[n-]1 ZINC000160086971 377000852 /nfs/dbraw/zinc/00/08/52/377000852.db2.gz DSQVBXCHCQOZGD-JTQLQIEISA-N -1 3 258.281 1.231 20 70 CDIDHM COc1cccc2c1CC[C@@H]2NC(=O)c1cn[n-]n1 ZINC000160086971 377000855 /nfs/dbraw/zinc/00/08/55/377000855.db2.gz DSQVBXCHCQOZGD-JTQLQIEISA-N -1 3 258.281 1.231 20 70 CDIDHM CC(C)(C)[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000160283000 361285545 /nfs/dbraw/zinc/28/55/45/361285545.db2.gz IYHOFQPUUBQFIW-QWRGUYRKSA-N -1 3 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CDIDHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)n(C)n1 ZINC000160300389 364655206 /nfs/dbraw/zinc/65/52/06/364655206.db2.gz YCIMMMIGIJVMNV-UHFFFAOYSA-N -1 3 286.295 1.667 20 70 CDIDHM CCN(C)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000159922122 361942321 /nfs/dbraw/zinc/94/23/21/361942321.db2.gz NINFEPZXNAAWOS-UHFFFAOYSA-N -1 3 274.317 1.289 20 70 CDIDHM CCc1cc(=O)[n-]c(CN2CCN(C3CCCC3)CC2)n1 ZINC000160759697 364406181 /nfs/dbraw/zinc/40/61/81/364406181.db2.gz VYBCQVXXNVQYDM-UHFFFAOYSA-N -1 3 290.411 1.805 20 70 CDIDHM CCc1cc(=O)[n-]c(CN2CCC(C(=O)OC)CC2)n1 ZINC000160499826 364363549 /nfs/dbraw/zinc/36/35/49/364363549.db2.gz PADXBOFHVOEGJI-UHFFFAOYSA-N -1 3 279.340 1.130 20 70 CDIDHM COc1ccc([O-])c(C(=O)Nc2c(C)ccn(C)c2=O)c1 ZINC000161352923 524729814 /nfs/dbraw/zinc/72/98/14/524729814.db2.gz OSOYHTGTEVZEMM-UHFFFAOYSA-N -1 3 288.303 1.660 20 70 CDIDHM COC(=O)Cc1n[n-]c(NC(=O)C2CCC(C)(C)CC2)n1 ZINC000160962929 362574923 /nfs/dbraw/zinc/57/49/23/362574923.db2.gz FPQQCQLWYKKEPM-UHFFFAOYSA-N -1 3 294.355 1.675 20 70 CDIDHM COC(=O)Cc1nnc(NC(=O)C2CCC(C)(C)CC2)[n-]1 ZINC000160962929 362574928 /nfs/dbraw/zinc/57/49/28/362574928.db2.gz FPQQCQLWYKKEPM-UHFFFAOYSA-N -1 3 294.355 1.675 20 70 CDIDHM COC(=O)Cc1nc(NC(=O)C2CCC(C)(C)CC2)n[n-]1 ZINC000160962929 362574936 /nfs/dbraw/zinc/57/49/36/362574936.db2.gz FPQQCQLWYKKEPM-UHFFFAOYSA-N -1 3 294.355 1.675 20 70 CDIDHM O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(O)cc1[O-] ZINC000161376298 364486027 /nfs/dbraw/zinc/48/60/27/364486027.db2.gz IOTOSRXJMJPVBI-LLVKDONJSA-N -1 3 299.330 1.502 20 70 CDIDHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@H](O)C1 ZINC000159818341 361869026 /nfs/dbraw/zinc/86/90/26/361869026.db2.gz AAZLERAPZVBGJH-NSHDSACASA-N -1 3 269.728 1.571 20 70 CDIDHM O=C(c1cccc([O-])c1)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000160346824 345989430 /nfs/dbraw/zinc/98/94/30/345989430.db2.gz YRHBGXVZXPUEDJ-AAEUAGOBSA-N -1 3 274.320 1.133 20 70 CDIDHM COc1ccc([O-])c(C(=O)NC[C@@H](C)SC)c1 ZINC000159437508 361703619 /nfs/dbraw/zinc/70/36/19/361703619.db2.gz XFNMLGDNEMGLKZ-MRVPVSSYSA-N -1 3 255.339 1.882 20 70 CDIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCOC3)[n-]2)o1 ZINC000160390611 364343915 /nfs/dbraw/zinc/34/39/15/364343915.db2.gz DYGQLMBAVYLOSJ-VIFPVBQESA-N -1 3 276.296 1.738 20 70 CDIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CCCOC3)n2)o1 ZINC000160390611 364343919 /nfs/dbraw/zinc/34/39/19/364343919.db2.gz DYGQLMBAVYLOSJ-VIFPVBQESA-N -1 3 276.296 1.738 20 70 CDIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCCOC3)n[n-]2)o1 ZINC000160390611 364343927 /nfs/dbraw/zinc/34/39/27/364343927.db2.gz DYGQLMBAVYLOSJ-VIFPVBQESA-N -1 3 276.296 1.738 20 70 CDIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCOC3)[n-]2)o1 ZINC000160390474 364344457 /nfs/dbraw/zinc/34/44/57/364344457.db2.gz DYGQLMBAVYLOSJ-SECBINFHSA-N -1 3 276.296 1.738 20 70 CDIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CCCOC3)n2)o1 ZINC000160390474 364344458 /nfs/dbraw/zinc/34/44/58/364344458.db2.gz DYGQLMBAVYLOSJ-SECBINFHSA-N -1 3 276.296 1.738 20 70 CDIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCOC3)n[n-]2)o1 ZINC000160390474 364344462 /nfs/dbraw/zinc/34/44/62/364344462.db2.gz DYGQLMBAVYLOSJ-SECBINFHSA-N -1 3 276.296 1.738 20 70 CDIDHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)O)c1 ZINC000160995796 364437223 /nfs/dbraw/zinc/43/72/23/364437223.db2.gz ILCSFURNJXFJTL-UHFFFAOYSA-N -1 3 293.772 1.398 20 70 CDIDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cn1 ZINC000217509533 346214795 /nfs/dbraw/zinc/21/47/95/346214795.db2.gz VRYLRVFHPYSZHR-SSDOTTSWSA-N -1 3 268.260 1.619 20 70 CDIDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)CO)c(F)c1 ZINC000159723958 359513719 /nfs/dbraw/zinc/51/37/19/359513719.db2.gz GCBOKJAJSJQUAQ-VIFPVBQESA-N -1 3 261.318 1.041 20 70 CDIDHM CCCN(CC(=O)N(C)C)Cc1nc(CC)cc(=O)[n-]1 ZINC000160964922 364434260 /nfs/dbraw/zinc/43/42/60/364434260.db2.gz ZCGCCFDGHNGWQS-UHFFFAOYSA-N -1 3 280.372 1.045 20 70 CDIDHM CCc1cc(=O)[n-]c(CN(C)C[C@H]2CCCCO2)n1 ZINC000160978830 364435693 /nfs/dbraw/zinc/43/56/93/364435693.db2.gz MJUXZMUMHVIVHW-GFCCVEGCSA-N -1 3 265.357 1.746 20 70 CDIDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CO)CC(C)C)c1 ZINC000161148608 364454861 /nfs/dbraw/zinc/45/48/61/364454861.db2.gz LECNBUVAIKJWQL-GFCCVEGCSA-N -1 3 294.351 1.487 20 70 CDIDHM CC[C@@H](C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000160642872 279875647 /nfs/dbraw/zinc/87/56/47/279875647.db2.gz JFMBLXHYARNDAP-MRVPVSSYSA-N -1 3 253.298 1.938 20 70 CDIDHM Cc1ccc(-c2nnc(NC(=O)c3ccnc(C)n3)[n-]2)o1 ZINC000160353902 539115781 /nfs/dbraw/zinc/11/57/81/539115781.db2.gz UDYYASLOLXPYRF-UHFFFAOYSA-N -1 3 284.279 1.724 20 70 CDIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccnc(C)n3)n2)o1 ZINC000160353902 539115782 /nfs/dbraw/zinc/11/57/82/539115782.db2.gz UDYYASLOLXPYRF-UHFFFAOYSA-N -1 3 284.279 1.724 20 70 CDIDHM Cc1ccc(-c2nc(NC(=O)c3ccnc(C)n3)n[n-]2)o1 ZINC000160353902 539115783 /nfs/dbraw/zinc/11/57/83/539115783.db2.gz UDYYASLOLXPYRF-UHFFFAOYSA-N -1 3 284.279 1.724 20 70 CDIDHM Cn1cc(S(=O)(=O)[N-]CC2(C3CC3)CC2)nc1Cl ZINC000160199689 364318012 /nfs/dbraw/zinc/31/80/12/364318012.db2.gz QTFHEECGTSJFQR-UHFFFAOYSA-N -1 3 289.788 1.542 20 70 CDIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(=O)n(C)c3)[n-]2)o1 ZINC000160266097 362087184 /nfs/dbraw/zinc/08/71/84/362087184.db2.gz YPZBIPBXVOHBGE-UHFFFAOYSA-N -1 3 299.290 1.324 20 70 CDIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(=O)n(C)c3)n2)o1 ZINC000160266097 362087186 /nfs/dbraw/zinc/08/71/86/362087186.db2.gz YPZBIPBXVOHBGE-UHFFFAOYSA-N -1 3 299.290 1.324 20 70 CDIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(=O)n(C)c3)n[n-]2)o1 ZINC000160266097 362087188 /nfs/dbraw/zinc/08/71/88/362087188.db2.gz YPZBIPBXVOHBGE-UHFFFAOYSA-N -1 3 299.290 1.324 20 70 CDIDHM CCC[C@](C)(O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000159756913 364262889 /nfs/dbraw/zinc/26/28/89/364262889.db2.gz PMGFLHQHCJZATM-ZDUSSCGKSA-N -1 3 255.289 1.699 20 70 CDIDHM Cc1cc(C(=O)NCc2nc3c(cccc3C)[nH]2)[n-]c(=O)n1 ZINC000160508530 524113690 /nfs/dbraw/zinc/11/36/90/524113690.db2.gz OJICVBPMDNJXNR-UHFFFAOYSA-N -1 3 297.318 1.605 20 70 CDIDHM Cc1cc(C(=O)NCc2nc3cccc(C)c3[nH]2)[n-]c(=O)n1 ZINC000160508530 524113698 /nfs/dbraw/zinc/11/36/98/524113698.db2.gz OJICVBPMDNJXNR-UHFFFAOYSA-N -1 3 297.318 1.605 20 70 CDIDHM Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1c[n-]nn1 ZINC000159376680 342072791 /nfs/dbraw/zinc/07/27/91/342072791.db2.gz RVIMFNSENFBCQM-NSHDSACASA-N -1 3 257.297 1.194 20 70 CDIDHM Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cnn[n-]1 ZINC000159376680 342072792 /nfs/dbraw/zinc/07/27/92/342072792.db2.gz RVIMFNSENFBCQM-NSHDSACASA-N -1 3 257.297 1.194 20 70 CDIDHM Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cn[n-]n1 ZINC000159376680 342072793 /nfs/dbraw/zinc/07/27/93/342072793.db2.gz RVIMFNSENFBCQM-NSHDSACASA-N -1 3 257.297 1.194 20 70 CDIDHM O=C(c1ccccc1[O-])N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000160340970 345824643 /nfs/dbraw/zinc/82/46/43/345824643.db2.gz MHCHAJXFWUXYLL-ZYHUDNBSSA-N -1 3 274.320 1.133 20 70 CDIDHM Cc1ccc(-c2nnc(NC(=O)c3cc[nH]n3)[n-]2)o1 ZINC000160234628 390945670 /nfs/dbraw/zinc/94/56/70/390945670.db2.gz BZXIVQKUYQFJBH-UHFFFAOYSA-N -1 3 258.241 1.349 20 70 CDIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc[nH]n3)n2)o1 ZINC000160234628 390945671 /nfs/dbraw/zinc/94/56/71/390945671.db2.gz BZXIVQKUYQFJBH-UHFFFAOYSA-N -1 3 258.241 1.349 20 70 CDIDHM Cc1ccc(-c2nc(NC(=O)c3cc[nH]n3)n[n-]2)o1 ZINC000160234628 390945672 /nfs/dbraw/zinc/94/56/72/390945672.db2.gz BZXIVQKUYQFJBH-UHFFFAOYSA-N -1 3 258.241 1.349 20 70 CDIDHM CCc1ccc([O-])c(C(=O)N(C)CCCC(=O)NC)c1 ZINC000159383683 292757770 /nfs/dbraw/zinc/75/77/70/292757770.db2.gz SHGVXKZDRRVYIJ-UHFFFAOYSA-N -1 3 278.352 1.553 20 70 CDIDHM CC[C@@H](C)OCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000160542832 364371117 /nfs/dbraw/zinc/37/11/17/364371117.db2.gz CRIAUJZSEYCWFD-SECBINFHSA-N -1 3 275.312 1.620 20 70 CDIDHM CC[C@@H](C)OCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000160542832 364371125 /nfs/dbraw/zinc/37/11/25/364371125.db2.gz CRIAUJZSEYCWFD-SECBINFHSA-N -1 3 275.312 1.620 20 70 CDIDHM CC[C@@H](C)OCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000160542832 364371130 /nfs/dbraw/zinc/37/11/30/364371130.db2.gz CRIAUJZSEYCWFD-SECBINFHSA-N -1 3 275.312 1.620 20 70 CDIDHM