smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])N[C@H]1CC[C@H](C(=O)NNc2ncc(F)cn2)C1 ZINC000834167131 605612380 /nfs/dbraw/zinc/61/23/80/605612380.db2.gz ASTBCXJTPAZKOO-XPUUQOCRSA-N -1 1 283.263 0.495 20 50 CCGDMM O=C([O-])N[C@H]1CC[C@H](C(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834167131 605612386 /nfs/dbraw/zinc/61/23/86/605612386.db2.gz ASTBCXJTPAZKOO-XPUUQOCRSA-N -1 1 283.263 0.495 20 50 CCGDMM C[C@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1C(=O)[O-] ZINC001603427686 973165771 /nfs/dbraw/zinc/16/57/71/973165771.db2.gz ZAQSUGCTWJBKJH-VHSXEESVSA-N -1 1 299.371 0.223 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000826754064 601505107 /nfs/dbraw/zinc/50/51/07/601505107.db2.gz IHDMXKZRFFKFHQ-DCAQKATOSA-N -1 1 299.371 0.221 20 50 CCGDMM CN(C)c1nccc(NNC(=O)[C@H]2CCCN2C(=O)[O-])n1 ZINC000828080692 604004752 /nfs/dbraw/zinc/00/47/52/604004752.db2.gz HQZFMWBSSXOWEM-MRVPVSSYSA-N -1 1 294.315 0.128 20 50 CCGDMM CN(C)C(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821578255 945722291 /nfs/dbraw/zinc/72/22/91/945722291.db2.gz VRPVWESBIDWBHB-UHFFFAOYSA-N -1 1 265.302 0.533 20 50 CCGDMM COC(=O)c1ccc(NNC(=O)C2(C(=O)[O-])CC2)nc1 ZINC001593882999 955727062 /nfs/dbraw/zinc/72/70/62/955727062.db2.gz MDQDOXHYUUUGRD-UHFFFAOYSA-N -1 1 279.252 0.176 20 50 CCGDMM O=C([O-])c1ccc[nH]c1=NNC(=O)CN1CCCC1 ZINC001594692487 956758375 /nfs/dbraw/zinc/75/83/75/956758375.db2.gz SXHUXANPEZBPSK-UHFFFAOYSA-N -1 1 264.285 0.319 20 50 CCGDMM COc1cccc(NNC(=O)c2cc(C(=O)[O-])n[nH]2)n1 ZINC001604870842 974118169 /nfs/dbraw/zinc/11/81/69/974118169.db2.gz DSKJPTDUTZSPEL-UHFFFAOYSA-N -1 1 277.240 0.268 20 50 CCGDMM Cc1cc(NNC(=O)[C@@H](C)CN(C)C(=O)[O-])nc(C)n1 ZINC000830122094 604224808 /nfs/dbraw/zinc/22/48/08/604224808.db2.gz JNYVBLBNJYAJLP-ZETCQYMHSA-N -1 1 281.316 0.782 20 50 CCGDMM O=C([O-])NCC(=O)NN=Cc1cccc(Cl)c1O ZINC000834202234 605384417 /nfs/dbraw/zinc/38/44/17/605384417.db2.gz ROPFKOIXCQZVST-UHFFFAOYSA-N -1 1 271.660 0.763 20 50 CCGDMM C[C@@H](CN(C)CC(=O)NNC(=O)c1ccccc1)C(=O)[O-] ZINC000042706626 957426257 /nfs/dbraw/zinc/42/62/57/957426257.db2.gz WHQXWDQQQCXHSD-JTQLQIEISA-N -1 1 293.323 0.100 20 50 CCGDMM Cc1cc(NNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)nc(C)n1 ZINC000830121265 603638957 /nfs/dbraw/zinc/63/89/57/603638957.db2.gz ANAFNXUOZURCFT-ZJUUUORDSA-N -1 1 293.327 0.973 20 50 CCGDMM Cc1cc(NNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)nc(C)n1 ZINC000830121263 603639195 /nfs/dbraw/zinc/63/91/95/603639195.db2.gz ANAFNXUOZURCFT-UWVGGRQHSA-N -1 1 293.327 0.973 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H]1CC(=O)[O-] ZINC000833474492 604967164 /nfs/dbraw/zinc/96/71/64/604967164.db2.gz XXLUAWULMTZJIY-QWRGUYRKSA-N -1 1 299.371 0.508 20 50 CCGDMM CC(C)N1CC(=NNC(=O)NCC(=O)[O-])[C@@H](C)C1 ZINC000833622327 605591315 /nfs/dbraw/zinc/59/13/15/605591315.db2.gz HDEIEQGQIOXDFC-QMMMGPOBSA-N -1 1 256.306 0.086 20 50 CCGDMM O=C([O-])N1CCC(CC(=O)NNc2ncc(F)cn2)CC1 ZINC000833988286 605612669 /nfs/dbraw/zinc/61/26/69/605612669.db2.gz PWDLBCLGHHUSKC-UHFFFAOYSA-N -1 1 297.290 0.839 20 50 CCGDMM O=C([O-])N1CCC(CC(=O)NN=c2ncc(F)c[nH]2)CC1 ZINC000833988286 605612672 /nfs/dbraw/zinc/61/26/72/605612672.db2.gz PWDLBCLGHHUSKC-UHFFFAOYSA-N -1 1 297.290 0.839 20 50 CCGDMM O=C([O-])N1CCC(C(=O)NNc2ncc(F)cn2)CC1 ZINC000834048988 605612860 /nfs/dbraw/zinc/61/28/60/605612860.db2.gz PZXRFEVYPNMPMK-UHFFFAOYSA-N -1 1 283.263 0.449 20 50 CCGDMM O=C([O-])N1CCC(C(=O)NN=c2ncc(F)c[nH]2)CC1 ZINC000834048988 605612862 /nfs/dbraw/zinc/61/28/62/605612862.db2.gz PZXRFEVYPNMPMK-UHFFFAOYSA-N -1 1 283.263 0.449 20 50 CCGDMM Cc1ccoc1C(=O)NNC(=O)CCNC(=O)[O-] ZINC000833911922 605844121 /nfs/dbraw/zinc/84/41/21/605844121.db2.gz ZBTJBFMADUFIBL-UHFFFAOYSA-N -1 1 255.230 0.007 20 50 CCGDMM CN(C)c1nccc(NNC(=O)[C@H](C(=O)[O-])C(C)(C)C)n1 ZINC001593715118 954207938 /nfs/dbraw/zinc/20/79/38/954207938.db2.gz FQEMEHNNCZKFMF-SECBINFHSA-N -1 1 295.343 0.733 20 50 CCGDMM COc1cccc(NNC(=O)NCCCC(=O)[O-])n1 ZINC000820870826 955481510 /nfs/dbraw/zinc/48/15/10/955481510.db2.gz BAENBDVMBIYJGE-UHFFFAOYSA-N -1 1 268.273 0.581 20 50 CCGDMM CO[C@@](C)(C(=O)[O-])C(=O)NN=c1[nH]ccnc1C1CCC1 ZINC001593926151 956128699 /nfs/dbraw/zinc/12/86/99/956128699.db2.gz DMGOYJUENZYADJ-CYBMUJFWSA-N -1 1 294.311 0.677 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H](C(=O)[O-])C(C)C ZINC001588843177 961838362 /nfs/dbraw/zinc/83/83/62/961838362.db2.gz CYODNDSKVMAXLF-KOLCDFICSA-N -1 1 287.360 0.267 20 50 CCGDMM C#CCCCC(=O)NNC(=O)c1oc(C(=O)[O-])cc1C ZINC001588439703 964030919 /nfs/dbraw/zinc/03/09/19/964030919.db2.gz FHVAEMYVRXBOOJ-UHFFFAOYSA-N -1 1 278.264 0.851 20 50 CCGDMM O=C([O-])CCNC(=O)NNc1ccnc2cccnc21 ZINC001606195487 973445850 /nfs/dbraw/zinc/44/58/50/973445850.db2.gz RDQZELPTPCDCGF-UHFFFAOYSA-N -1 1 275.268 0.153 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)C(C)(C)NC(=O)[O-] ZINC000738893095 978607599 /nfs/dbraw/zinc/60/75/99/978607599.db2.gz XRRCFZKHSZCQCO-UHFFFAOYSA-N -1 1 286.313 0.259 20 50 CCGDMM COc1nccnc1NNC(=O)CCSCC(=O)[O-] ZINC001599738330 991808930 /nfs/dbraw/zinc/80/89/30/991808930.db2.gz FKLQABYWJLRQNL-UHFFFAOYSA-N -1 1 286.313 0.136 20 50 CCGDMM C[C@@H](NC(=S)NNC(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC001593189598 994112976 /nfs/dbraw/zinc/11/29/76/994112976.db2.gz HGMPZOAAPVJKKO-ZCFIWIBFSA-N -1 1 297.336 0.885 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@H]1CC(=O)[O-] ZINC000833474490 604967228 /nfs/dbraw/zinc/96/72/28/604967228.db2.gz XXLUAWULMTZJIY-MNOVXSKESA-N -1 1 299.371 0.508 20 50 CCGDMM O=C([O-])N1CC[C@](F)(C(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834085566 605612473 /nfs/dbraw/zinc/61/24/73/605612473.db2.gz RLUVSLJZAMIOST-SNVBAGLBSA-N -1 1 287.226 0.151 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)c1cccnc1 ZINC000823273601 946386388 /nfs/dbraw/zinc/38/63/88/946386388.db2.gz RVAYEQCDYORVGO-UHFFFAOYSA-N -1 1 283.251 0.619 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)c1cccnc1 ZINC000823273601 946386399 /nfs/dbraw/zinc/38/63/99/946386399.db2.gz RVAYEQCDYORVGO-UHFFFAOYSA-N -1 1 283.251 0.619 20 50 CCGDMM CC(C)[C@@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])N(C)C ZINC001602960714 971947372 /nfs/dbraw/zinc/94/73/72/971947372.db2.gz IOOLBRGUNWSGLA-JTQLQIEISA-N -1 1 280.328 0.809 20 50 CCGDMM CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000818126140 955386521 /nfs/dbraw/zinc/38/65/21/955386521.db2.gz MQMYHNAETBBBLU-UWVGGRQHSA-N -1 1 285.344 0.119 20 50 CCGDMM C[C@@H](C(=O)[O-])C(=O)NNc1ccnc2cccnc21 ZINC001588576079 959230908 /nfs/dbraw/zinc/23/09/08/959230908.db2.gz NPWKSVFHAJIPBQ-SSDOTTSWSA-N -1 1 260.253 0.216 20 50 CCGDMM CC(C)(C(=O)[O-])C(=O)NNc1ccnc2cccnc21 ZINC001588618573 959533450 /nfs/dbraw/zinc/53/34/50/959533450.db2.gz UKRBAAKQOFHNKI-UHFFFAOYSA-N -1 1 274.280 0.606 20 50 CCGDMM C[C@H](CC(=O)[O-])NC(=O)NNc1nncc(N)c1Cl ZINC001609885408 970572842 /nfs/dbraw/zinc/57/28/42/970572842.db2.gz KEIUFPBPEROELV-SCSAIBSYSA-N -1 1 288.695 0.202 20 50 CCGDMM C[C@H]1C[C@H](C(=O)[O-])CN(CC(=O)NNC(=O)C(C)(C)C)C1 ZINC001603368590 972884904 /nfs/dbraw/zinc/88/49/04/972884904.db2.gz RTIDXSUEWYVVLA-UWVGGRQHSA-N -1 1 299.371 0.223 20 50 CCGDMM COc1nccnc1NNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001599738890 991816838 /nfs/dbraw/zinc/81/68/38/991816838.db2.gz NJEYOTHKWLENHL-DTWKUNHWSA-N -1 1 294.311 0.819 20 50 CCGDMM CC1CCN(CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)CC1 ZINC001594414304 999545121 /nfs/dbraw/zinc/54/51/21/999545121.db2.gz BGAZHMAGBPRUMZ-UHFFFAOYSA-N -1 1 292.339 0.955 20 50 CCGDMM Cc1cc(NNC(=O)C[C@H](C)NC(=O)[O-])nc(C)n1 ZINC000830121921 603639003 /nfs/dbraw/zinc/63/90/03/603639003.db2.gz HUDOVJSCRRDYLK-ZETCQYMHSA-N -1 1 267.289 0.583 20 50 CCGDMM O=C([O-])NCC(=O)NNC(=O)c1scnc1C1CC1 ZINC000834203396 605471428 /nfs/dbraw/zinc/47/14/28/605471428.db2.gz SMANCOLJDRIIPJ-UHFFFAOYSA-N -1 1 284.297 0.049 20 50 CCGDMM O=C([O-])CCCNC(=O)NN=c1[nH]cncc1Cl ZINC001595050259 951467586 /nfs/dbraw/zinc/46/75/86/951467586.db2.gz NAECYZRSPHCTNP-UHFFFAOYSA-N -1 1 273.680 0.621 20 50 CCGDMM C[C@H](CNC(=O)NNc1nncc(N)c1Cl)C(=O)[O-] ZINC001603184123 972286290 /nfs/dbraw/zinc/28/62/90/972286290.db2.gz WEYVAQVORIMCFI-SCSAIBSYSA-N -1 1 288.695 0.059 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)NC(C)(C)C(=O)[O-] ZINC001588843938 961850181 /nfs/dbraw/zinc/85/01/81/961850181.db2.gz UZIPOFYWRAMYGW-MRVPVSSYSA-N -1 1 273.333 0.021 20 50 CCGDMM O=C([O-])[C@@H]1CC[C@H](C(=O)NN=c2ncc(F)c[n-]2)C1 ZINC001574579037 962095498 /nfs/dbraw/zinc/09/54/98/962095498.db2.gz SSENRLUFDMPQQF-NKWVEPMBSA-N -1 1 268.248 0.560 20 50 CCGDMM O=C([O-])[C@@H]1CC[C@H](C(=O)NN=c2ncc(F)c[nH]2)C1 ZINC001574579037 962095520 /nfs/dbraw/zinc/09/55/20/962095520.db2.gz SSENRLUFDMPQQF-NKWVEPMBSA-N -1 1 268.248 0.560 20 50 CCGDMM CC(C)c1nccnc1NNC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001588975838 962695715 /nfs/dbraw/zinc/69/57/15/962695715.db2.gz FCJOPXJFVPEFTC-UHFFFAOYSA-N -1 1 290.283 0.778 20 50 CCGDMM CC[C@@H](C(=O)[O-])C(=O)NN=c1[nH]cncc1Cl ZINC001594755670 981667994 /nfs/dbraw/zinc/66/79/94/981667994.db2.gz ONCCDHOKADMWDE-RXMQYKEDSA-N -1 1 258.665 0.684 20 50 CCGDMM C[C@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)N(C)C ZINC001599885969 984636199 /nfs/dbraw/zinc/63/61/99/984636199.db2.gz XYCCIRYQZRTYAX-SSDOTTSWSA-N -1 1 269.276 0.917 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000826754754 601933186 /nfs/dbraw/zinc/93/31/86/601933186.db2.gz RMZHWSWBBJAVBU-QMTHXVAHSA-N -1 1 299.371 0.365 20 50 CCGDMM CN(CCNC(=O)NNC(=O)[O-])Cc1ccc(F)cc1 ZINC000828324490 604144957 /nfs/dbraw/zinc/14/49/57/604144957.db2.gz QTLNVUXKDHMTEL-UHFFFAOYSA-N -1 1 284.291 0.739 20 50 CCGDMM Cc1noc(C(C)C)c1C(=O)NNC(=O)CNC(=O)[O-] ZINC000833929792 605455839 /nfs/dbraw/zinc/45/58/39/605455839.db2.gz WZKDKOSSLDINJJ-UHFFFAOYSA-N -1 1 284.272 0.135 20 50 CCGDMM O=C([O-])NC1(CC(=O)NN=c2ncc(F)c[nH]2)CCC1 ZINC000834156151 605613012 /nfs/dbraw/zinc/61/30/12/605613012.db2.gz XHHNBQFKNWAUMA-UHFFFAOYSA-N -1 1 283.263 0.639 20 50 CCGDMM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NN=c1ncc(F)c[nH]1 ZINC000834174781 605692732 /nfs/dbraw/zinc/69/27/32/605692732.db2.gz XWMTUSJUGRVAPE-HTQZYQBOSA-N -1 1 283.263 0.495 20 50 CCGDMM Cc1cccc(C(=O)NNC(=O)CNC(C)(C)C(=O)[O-])c1 ZINC001600512007 970820512 /nfs/dbraw/zinc/82/05/12/970820512.db2.gz PIGPQWUVUALFFX-UHFFFAOYSA-N -1 1 293.323 0.209 20 50 CCGDMM CC=CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736301424 944792271 /nfs/dbraw/zinc/79/22/71/944792271.db2.gz BHWMKVZDZJMXNS-SNAWJCMRSA-N -1 1 277.288 0.997 20 50 CCGDMM O=C(Cc1cccnc1)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823115596 946319145 /nfs/dbraw/zinc/31/91/45/946319145.db2.gz RTICVITTXXEOOY-UHFFFAOYSA-N -1 1 297.278 0.548 20 50 CCGDMM O=C(Cc1cccnc1)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823115596 946319158 /nfs/dbraw/zinc/31/91/58/946319158.db2.gz RTICVITTXXEOOY-UHFFFAOYSA-N -1 1 297.278 0.548 20 50 CCGDMM O=C([O-])Cn1cc(C(=O)NNc2ccc(Cl)cn2)nn1 ZINC001595143660 952102777 /nfs/dbraw/zinc/10/27/77/952102777.db2.gz OEVPPTPUXQBCEG-UHFFFAOYSA-N -1 1 296.674 0.168 20 50 CCGDMM CC(C)c1ncc[nH]c1=NNC(=O)[C@@H](C)C(=O)[O-] ZINC001588576778 959237783 /nfs/dbraw/zinc/23/77/83/959237783.db2.gz YAOHDPLZRMNJAC-SSDOTTSWSA-N -1 1 252.274 0.764 20 50 CCGDMM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC001606528401 974033167 /nfs/dbraw/zinc/03/31/67/974033167.db2.gz DOVQOANDSUSFJU-NSHDSACASA-N -1 1 290.323 0.850 20 50 CCGDMM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1CCCN1C1CC1 ZINC001606528401 974033181 /nfs/dbraw/zinc/03/31/81/974033181.db2.gz DOVQOANDSUSFJU-NSHDSACASA-N -1 1 290.323 0.850 20 50 CCGDMM CC[C@H](C(=O)[O-])C(=O)NN=c1[nH]cncc1Cl ZINC001594755671 981667926 /nfs/dbraw/zinc/66/79/26/981667926.db2.gz ONCCDHOKADMWDE-YFKPBYRVSA-N -1 1 258.665 0.684 20 50 CCGDMM CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594712426 987176200 /nfs/dbraw/zinc/17/62/00/987176200.db2.gz LKDVBUZWJZWOSV-MNOVXSKESA-N -1 1 299.371 0.509 20 50 CCGDMM COc1nccnc1NNC(=O)C[C@@H](C)CC(=O)[O-] ZINC001599738565 991812603 /nfs/dbraw/zinc/81/26/03/991812603.db2.gz KKJHSOQLUZUISD-SSDOTTSWSA-N -1 1 268.273 0.429 20 50 CCGDMM COc1cccc(NNC(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC001599679988 994963539 /nfs/dbraw/zinc/96/35/39/994963539.db2.gz RSHPUMAHHZWKTB-UHFFFAOYSA-N -1 1 276.252 0.873 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)C[C@H](C)NC(=O)[O-] ZINC000830835147 602864783 /nfs/dbraw/zinc/86/47/83/602864783.db2.gz XICBISLGHYEVHG-YFKPBYRVSA-N -1 1 286.313 0.259 20 50 CCGDMM O=C([O-])N1CCC[C@H]1CCC(=O)NNc1ncc(F)cn1 ZINC000833998972 605609432 /nfs/dbraw/zinc/60/94/32/605609432.db2.gz WESFQSDJWVBREE-VIFPVBQESA-N -1 1 297.290 0.981 20 50 CCGDMM O=C([O-])N1CCC[C@H]1CCC(=O)NN=c1ncc(F)c[nH]1 ZINC000833998972 605609438 /nfs/dbraw/zinc/60/94/38/605609438.db2.gz WESFQSDJWVBREE-VIFPVBQESA-N -1 1 297.290 0.981 20 50 CCGDMM O=C([O-])N1CC[C@H](C(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834048940 605609692 /nfs/dbraw/zinc/60/96/92/605609692.db2.gz PLEQYYRFARBDRQ-LURJTMIESA-N -1 1 269.236 0.059 20 50 CCGDMM CN(CCCC(=O)[O-])CC(=O)NNC(=O)c1ccccc1 ZINC000042717758 948884228 /nfs/dbraw/zinc/88/42/28/948884228.db2.gz FMPCJIIKRDWKFD-UHFFFAOYSA-N -1 1 293.323 0.244 20 50 CCGDMM O=C([O-])CCCNC(=O)NNc1ccnc2cccnc21 ZINC001595050192 951465933 /nfs/dbraw/zinc/46/59/33/951465933.db2.gz DJIUFUOIINSZDB-UHFFFAOYSA-N -1 1 289.295 0.543 20 50 CCGDMM CN(C)c1nccc(NNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)n1 ZINC001593715120 954207670 /nfs/dbraw/zinc/20/76/70/954207670.db2.gz FQEMEHNNCZKFMF-VIFPVBQESA-N -1 1 295.343 0.733 20 50 CCGDMM Cc1ccc(C(=O)NNC(=O)CNC(C)(C)C(=O)[O-])cc1 ZINC000738260658 955236153 /nfs/dbraw/zinc/23/61/53/955236153.db2.gz SSMIZXVBDHXXCY-UHFFFAOYSA-N -1 1 293.323 0.209 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)NC1(C(=O)[O-])CCCC1 ZINC000738802141 955251304 /nfs/dbraw/zinc/25/13/04/955251304.db2.gz KNEAHARYVXZMFP-JTQLQIEISA-N -1 1 299.371 0.555 20 50 CCGDMM CC(C)[C@H](C(=O)[O-])C(=O)NNc1ccnc2cccnc21 ZINC001588808847 961504327 /nfs/dbraw/zinc/50/43/27/961504327.db2.gz ZKSSCYOJFNKFSC-NSHDSACASA-N -1 1 288.307 0.852 20 50 CCGDMM O=C([O-])CC[C@H]1CCCCN1CC(=O)NNC(=O)C1CC1 ZINC001329080516 969711618 /nfs/dbraw/zinc/71/16/18/969711618.db2.gz HFJJGJZLGZZHBG-LLVKDONJSA-N -1 1 297.355 0.263 20 50 CCGDMM O=C([O-])c1ccc(C(=O)NN=c2ncc(F)c[nH]2)nc1 ZINC001606478552 973955717 /nfs/dbraw/zinc/95/57/17/973955717.db2.gz HIKZHJOPQSNRKP-UHFFFAOYSA-N -1 1 277.215 0.466 20 50 CCGDMM CN(C)CC#CCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001598197110 990805271 /nfs/dbraw/zinc/80/52/71/990805271.db2.gz VQKMNUOIRAFCOF-UHFFFAOYSA-N -1 1 290.323 0.576 20 50 CCGDMM CCC[C@@](C)(NCC(=O)NNC(=O)C(C)(C)C)C(=O)[O-] ZINC000829194077 601007587 /nfs/dbraw/zinc/00/75/87/601007587.db2.gz UEWWEQRKOOUKES-CYBMUJFWSA-N -1 1 287.360 0.413 20 50 CCGDMM CC(C)N1CC(=NNC(=O)NCCNC(=O)[O-])[C@H](C)C1 ZINC000826042187 604045603 /nfs/dbraw/zinc/04/56/03/604045603.db2.gz NHAXVJBTYWRBRU-SECBINFHSA-N -1 1 285.348 0.269 20 50 CCGDMM C[C@@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)N(C)C ZINC001599831037 988674642 /nfs/dbraw/zinc/67/46/42/988674642.db2.gz PTXXCXLEJWDVRQ-VIFPVBQESA-N -1 1 265.313 0.707 20 50 CCGDMM CC(C)N(CCC(=O)[O-])CC(=O)NNC(=O)C(C)(C)C ZINC000826946584 601009027 /nfs/dbraw/zinc/00/90/27/601009027.db2.gz CNQOOVBYHCGFBR-UHFFFAOYSA-N -1 1 287.360 0.365 20 50 CCGDMM Cc1cc(NNC(=O)[C@H](C)CC(=O)[O-])nc(C)n1 ZINC000832898704 602299189 /nfs/dbraw/zinc/29/91/89/602299189.db2.gz RBUXUNZUEJDDIN-ZCFIWIBFSA-N -1 1 252.274 0.647 20 50 CCGDMM CC(C)N1CC(=NNC(=O)NCC(=O)[O-])[C@H](C)C1 ZINC000833622325 605591008 /nfs/dbraw/zinc/59/10/08/605591008.db2.gz HDEIEQGQIOXDFC-MRVPVSSYSA-N -1 1 256.306 0.086 20 50 CCGDMM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NN=c1ncc(F)c[nH]1 ZINC000834174785 605692395 /nfs/dbraw/zinc/69/23/95/605692395.db2.gz XWMTUSJUGRVAPE-YUMQZZPRSA-N -1 1 283.263 0.495 20 50 CCGDMM O=C([O-])N[C@@H](CC(F)F)C(=O)NN=c1ncc(F)c[nH]1 ZINC000834134955 606082474 /nfs/dbraw/zinc/08/24/74/606082474.db2.gz MGLNEHFTFNXGSR-YFKPBYRVSA-N -1 1 293.205 0.350 20 50 CCGDMM CCOCC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000825583778 608094943 /nfs/dbraw/zinc/09/49/43/608094943.db2.gz XDOFYYQSRGYXKC-UHFFFAOYSA-N -1 1 294.340 0.805 20 50 CCGDMM CNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821630189 945761808 /nfs/dbraw/zinc/76/18/08/945761808.db2.gz PFNNELBQVLHVSR-XQRVVYSFSA-N -1 1 260.282 0.581 20 50 CCGDMM Cc1cc[nH]c(=NNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822374033 946073203 /nfs/dbraw/zinc/07/32/03/946073203.db2.gz IGQNIMVNXQZZJR-UHFFFAOYSA-N -1 1 296.294 0.722 20 50 CCGDMM Cc1cc[nH]c(=NNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822374033 946073214 /nfs/dbraw/zinc/07/32/14/946073214.db2.gz IGQNIMVNXQZZJR-UHFFFAOYSA-N -1 1 296.294 0.722 20 50 CCGDMM CC(C)C(=O)NNC(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC001602959123 971941191 /nfs/dbraw/zinc/94/11/91/971941191.db2.gz JUTUUUSUSIRDNF-NSHDSACASA-N -1 1 299.371 0.509 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)NC[C@H](C)C(=O)[O-] ZINC000848586847 955757674 /nfs/dbraw/zinc/75/76/74/955757674.db2.gz XWJOPAQGYGZQIY-YFKPBYRVSA-N -1 1 286.313 0.116 20 50 CCGDMM CC(C)c1ncc[nH]c1=NNC(=O)C1(C(=O)[O-])CC1 ZINC001592039030 976760932 /nfs/dbraw/zinc/76/09/32/976760932.db2.gz GPWRBZNMDZUKDD-UHFFFAOYSA-N -1 1 264.285 0.908 20 50 CCGDMM COc1cccc(=NNC(=O)CCSCC(=O)[O-])[nH]1 ZINC001599680074 994964406 /nfs/dbraw/zinc/96/44/06/994964406.db2.gz WYHUUCBIOXGTSF-UHFFFAOYSA-N -1 1 285.325 0.741 20 50 CCGDMM O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ncccc1[O-] ZINC000826449152 607464371 /nfs/dbraw/zinc/46/43/71/607464371.db2.gz DTYWCEJGNDCYQZ-UHFFFAOYSA-N -1 1 297.278 0.724 20 50 CCGDMM Cc1cc(NNC(=O)C(C)(C)CNC(=O)[O-])nc(C)n1 ZINC000830122991 603800701 /nfs/dbraw/zinc/80/07/01/603800701.db2.gz QENURBGQIZNVDS-UHFFFAOYSA-N -1 1 281.316 0.830 20 50 CCGDMM O=C([O-])N1CC[C@@H](C(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834048942 605609860 /nfs/dbraw/zinc/60/98/60/605609860.db2.gz PLEQYYRFARBDRQ-ZCFIWIBFSA-N -1 1 269.236 0.059 20 50 CCGDMM O=C(Cc1ccccn1)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823115945 946320791 /nfs/dbraw/zinc/32/07/91/946320791.db2.gz ZJPJJPBKZRUSQK-UHFFFAOYSA-N -1 1 297.278 0.548 20 50 CCGDMM O=C(Cc1ccccn1)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823115945 946320804 /nfs/dbraw/zinc/32/08/04/946320804.db2.gz ZJPJJPBKZRUSQK-UHFFFAOYSA-N -1 1 297.278 0.548 20 50 CCGDMM CC(C)[C@H](CNC(=O)NN=c1ccc(C#N)c[nH]1)C(=O)[O-] ZINC001602985167 972013950 /nfs/dbraw/zinc/01/39/50/972013950.db2.gz UJQQCJSIUKZOFN-JTQLQIEISA-N -1 1 291.311 0.936 20 50 CCGDMM CO[C@H](C(=O)[O-])C(=O)NN=c1[nH]ccnc1C(C)C ZINC001593912047 955975754 /nfs/dbraw/zinc/97/57/54/955975754.db2.gz WFZPMDZAUDPCKC-QMMMGPOBSA-N -1 1 268.273 0.143 20 50 CCGDMM O=C([O-])c1cc(NC(=O)NN=c2ncc(F)c[nH]2)ccn1 ZINC001574578355 962087830 /nfs/dbraw/zinc/08/78/30/962087830.db2.gz FUIABQZBTQECPK-UHFFFAOYSA-N -1 1 292.230 0.858 20 50 CCGDMM Cc1cc(NNC(=O)[C@H]2C[C@H]2C(=O)[O-])nc(C)n1 ZINC000738462733 978541826 /nfs/dbraw/zinc/54/18/26/978541826.db2.gz VNCGFOJSXHJCQK-JGVFFNPUSA-N -1 1 250.258 0.257 20 50 CCGDMM CCO/C=C(/C#N)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001596864107 985659580 /nfs/dbraw/zinc/65/95/80/985659580.db2.gz UKSKJETXGJBOFG-JPQYHBGPSA-N -1 1 295.339 0.438 20 50 CCGDMM COc1cccc(NNC(=O)c2cc(C(=O)[O-])no2)n1 ZINC001599679898 994962262 /nfs/dbraw/zinc/96/22/62/994962262.db2.gz NNGWHTQBSGEIBT-UHFFFAOYSA-N -1 1 278.224 0.533 20 50 CCGDMM COC(=O)c1ccc(NNC(=O)[C@@H](C)CC(=O)[O-])nc1 ZINC001598984238 998685919 /nfs/dbraw/zinc/68/59/19/998685919.db2.gz JEAQMWAVLYCGNN-ZETCQYMHSA-N -1 1 281.268 0.422 20 50 CCGDMM O=C([O-])[C@H]1C[C@@H]1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000833149381 601324828 /nfs/dbraw/zinc/32/48/28/601324828.db2.gz OZYISJQDRCGMRO-IUCAKERBSA-N -1 1 288.259 0.915 20 50 CCGDMM CN(C)c1nccc(NNC(=O)C(C)(C)CNC(=O)[O-])n1 ZINC000828080598 603800493 /nfs/dbraw/zinc/80/04/93/603800493.db2.gz FRWBUEOYJZXCOX-UHFFFAOYSA-N -1 1 296.331 0.280 20 50 CCGDMM CCc1cc(C)c(C(=O)NNC(=O)NCCNC(=O)[O-])o1 ZINC000827556209 605484086 /nfs/dbraw/zinc/48/40/86/605484086.db2.gz FWFQWMWOKQQZKL-UHFFFAOYSA-N -1 1 298.299 0.362 20 50 CCGDMM CCC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820838586 945568291 /nfs/dbraw/zinc/56/82/91/945568291.db2.gz XDLFTERDNBEARY-UHFFFAOYSA-N -1 1 250.287 0.788 20 50 CCGDMM O=C([O-])c1ccnc(NC(=O)NN=c2ncc(F)c[nH]2)c1 ZINC001594781982 953640385 /nfs/dbraw/zinc/64/03/85/953640385.db2.gz MYSSZIJMZDUOQL-UHFFFAOYSA-N -1 1 292.230 0.858 20 50 CCGDMM O=C([O-])c1cc(C(=O)NNc2ccnc3cccnc32)[nH]n1 ZINC001594782031 953641763 /nfs/dbraw/zinc/64/17/63/953641763.db2.gz OWLKRRRELXHOBD-UHFFFAOYSA-N -1 1 298.262 0.230 20 50 CCGDMM C[C@@H]1CCN(CC(=O)NN=c2[nH]cccc2C(=O)[O-])C1 ZINC001589353462 954104669 /nfs/dbraw/zinc/10/46/69/954104669.db2.gz RRBMMLSYNIHBST-SECBINFHSA-N -1 1 278.312 0.565 20 50 CCGDMM COc1cccc(=NNC(=O)CSCC(=O)[O-])[nH]1 ZINC000820870815 955481266 /nfs/dbraw/zinc/48/12/66/955481266.db2.gz AEAGGYLBRBVPGU-UHFFFAOYSA-N -1 1 271.298 0.351 20 50 CCGDMM Cc1cc(NNC(=O)[C@@H](C)CC(=O)[O-])nc(C)n1 ZINC000832898703 602299172 /nfs/dbraw/zinc/29/91/72/602299172.db2.gz RBUXUNZUEJDDIN-LURJTMIESA-N -1 1 252.274 0.647 20 50 CCGDMM O=C([O-])NNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000832748660 603631774 /nfs/dbraw/zinc/63/17/74/603631774.db2.gz PPCYAGBVMUANLW-UHFFFAOYSA-N -1 1 292.339 0.498 20 50 CCGDMM O=C([O-])NCCCC(=O)NN=C1CCN2CCC[C@@H]12 ZINC000834229390 606007648 /nfs/dbraw/zinc/00/76/48/606007648.db2.gz HAHPPEZUNXPELS-JTQLQIEISA-N -1 1 268.317 0.375 20 50 CCGDMM CN(C)c1nccc(NNC(=O)[C@H]2CC[C@H]2C(=O)[O-])n1 ZINC001593715146 954207904 /nfs/dbraw/zinc/20/79/04/954207904.db2.gz GRVZGTLCHJLLCN-JGVFFNPUSA-N -1 1 279.300 0.097 20 50 CCGDMM CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000817797363 955367589 /nfs/dbraw/zinc/36/75/89/955367589.db2.gz ZTEDMYLFAXXNGP-SNVBAGLBSA-N -1 1 299.371 0.367 20 50 CCGDMM C[C@H](Cc1cnc[nH]1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589083631 955883185 /nfs/dbraw/zinc/88/31/85/955883185.db2.gz ONEMPUMOYDRQRP-MRVPVSSYSA-N -1 1 289.295 0.825 20 50 CCGDMM C[C@H](CN(C)CC(=O)NNC(=O)c1ccccc1)C(=O)[O-] ZINC000042706629 957425968 /nfs/dbraw/zinc/42/59/68/957425968.db2.gz WHQXWDQQQCXHSD-SNVBAGLBSA-N -1 1 293.323 0.100 20 50 CCGDMM Cc1cc(NNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])nc(C)n1 ZINC001594325365 958164085 /nfs/dbraw/zinc/16/40/85/958164085.db2.gz STGQEXHKEABDPX-RKDXNWHRSA-N -1 1 264.285 0.647 20 50 CCGDMM O=C([O-])CC[C@@H]1C[C@H](C(=O)NN=c2ccnc[nH]2)CO1 ZINC001606111685 973322734 /nfs/dbraw/zinc/32/27/34/973322734.db2.gz MMDVWFBVUABEFU-DTWKUNHWSA-N -1 1 280.284 0.190 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)C1(C(=O)[O-])CC=CC1 ZINC001605429106 973467893 /nfs/dbraw/zinc/46/78/93/973467893.db2.gz WCCOYYUIIJHSOJ-UHFFFAOYSA-N -1 1 295.320 0.634 20 50 CCGDMM CN1CCC[C@@H]1C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001598602876 993590062 /nfs/dbraw/zinc/59/00/62/993590062.db2.gz TXEHFRCSVHUURY-GFCCVEGCSA-N -1 1 277.324 0.851 20 50 CCGDMM COc1cccc(NNC(=O)N[C@H]2CC=C(C(=O)[O-])C2)n1 ZINC001599679998 994963218 /nfs/dbraw/zinc/96/32/18/994963218.db2.gz SDFXDDHFVJGTSM-VIFPVBQESA-N -1 1 292.295 0.890 20 50 CCGDMM O=C([O-])NNC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000833281119 601313759 /nfs/dbraw/zinc/31/37/59/601313759.db2.gz XGEUINNZRXNHMB-UHFFFAOYSA-N -1 1 262.229 0.571 20 50 CCGDMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NNC(=O)[O-] ZINC000830620649 601314662 /nfs/dbraw/zinc/31/46/62/601314662.db2.gz ZFMAXGWNSBSCFM-UHFFFAOYSA-N -1 1 295.299 0.151 20 50 CCGDMM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNc2ncc(F)cn2)C1 ZINC000834167130 605612732 /nfs/dbraw/zinc/61/27/32/605612732.db2.gz ASTBCXJTPAZKOO-SVRRBLITSA-N -1 1 283.263 0.495 20 50 CCGDMM O=C([O-])N[C@H]1CC[C@@H](C(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834167130 605612737 /nfs/dbraw/zinc/61/27/37/605612737.db2.gz ASTBCXJTPAZKOO-SVRRBLITSA-N -1 1 283.263 0.495 20 50 CCGDMM O=C([O-])NC1CCC(C(=O)NNc2ncc(F)cn2)CC1 ZINC000834167146 605612932 /nfs/dbraw/zinc/61/29/32/605612932.db2.gz AXXMPSGHGPNLLP-UHFFFAOYSA-N -1 1 297.290 0.885 20 50 CCGDMM O=C([O-])NC1CCC(C(=O)NN=c2ncc(F)c[nH]2)CC1 ZINC000834167146 605612933 /nfs/dbraw/zinc/61/29/33/605612933.db2.gz AXXMPSGHGPNLLP-UHFFFAOYSA-N -1 1 297.290 0.885 20 50 CCGDMM CCNC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000825476843 608095024 /nfs/dbraw/zinc/09/50/24/608095024.db2.gz YQSZPTHNPZODPG-UHFFFAOYSA-N -1 1 279.329 0.971 20 50 CCGDMM C/C(C#N)=C/Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC001573558158 946936624 /nfs/dbraw/zinc/93/66/24/946936624.db2.gz FDBHYFKRHZXUIH-DAXSKMNVSA-N -1 1 271.284 0.510 20 50 CCGDMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NNc1ccnc2cccnc21 ZINC001594781859 953638388 /nfs/dbraw/zinc/63/83/88/953638388.db2.gz KQMRNAIHROIMEE-DTWKUNHWSA-N -1 1 286.291 0.606 20 50 CCGDMM CCC(=O)NNC(=O)[C@@H](C)N1CCC(C)(C(=O)[O-])CC1 ZINC001589425011 954610196 /nfs/dbraw/zinc/61/01/96/954610196.db2.gz PBTZKJXIKFFAHM-SECBINFHSA-N -1 1 285.344 0.119 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N[C@@H](C(=O)[O-])C(C)C ZINC000819966765 955462280 /nfs/dbraw/zinc/46/22/80/955462280.db2.gz CYODNDSKVMAXLF-GXSJLCMTSA-N -1 1 287.360 0.267 20 50 CCGDMM COc1cccc(NNC(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC001594131829 958682352 /nfs/dbraw/zinc/68/23/52/958682352.db2.gz PTCKEXOPIGCKDC-UHFFFAOYSA-N -1 1 288.263 0.940 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)C1(CC(=O)[O-])CCC1 ZINC001605428933 973465504 /nfs/dbraw/zinc/46/55/04/973465504.db2.gz QYXXROANYRGZPA-UHFFFAOYSA-N -1 1 297.336 0.858 20 50 CCGDMM Cc1cc(CC(=O)NN=Cc2ccc(C(=O)[O-])[nH]2)[nH]n1 ZINC000749809283 978689415 /nfs/dbraw/zinc/68/94/15/978689415.db2.gz DTTPXHCJNYFGES-UHFFFAOYSA-N -1 1 275.268 0.437 20 50 CCGDMM CC[C@@H](C(=O)[O-])C(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1 ZINC001594755855 981669992 /nfs/dbraw/zinc/66/99/92/981669992.db2.gz VKGOKKMNGXHBTJ-SSDOTTSWSA-N -1 1 290.279 0.889 20 50 CCGDMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NNC(=O)[O-] ZINC000829832885 603934891 /nfs/dbraw/zinc/93/48/91/603934891.db2.gz BBCZAFATILRGJF-UHFFFAOYSA-N -1 1 252.152 0.649 20 50 CCGDMM O=C([O-])NCCC(=O)NN=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000834227276 605752734 /nfs/dbraw/zinc/75/27/34/605752734.db2.gz AWYNCCSKMNISMK-UHFFFAOYSA-N -1 1 296.239 0.408 20 50 CCGDMM CS(=O)(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821920605 945904470 /nfs/dbraw/zinc/90/44/70/945904470.db2.gz VFHRVMASQLRSBG-DAXSKMNVSA-N -1 1 281.322 0.837 20 50 CCGDMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NN=c1[nH]cncc1Cl ZINC001594781184 953630161 /nfs/dbraw/zinc/63/01/61/953630161.db2.gz IUTOKUMGCUTNKB-NTSWFWBYSA-N -1 1 270.676 0.684 20 50 CCGDMM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)NNC(=O)C(C)(C)C ZINC001589305734 953738362 /nfs/dbraw/zinc/73/83/62/953738362.db2.gz QGNZICARLDOALK-ZJUUUORDSA-N -1 1 299.371 0.365 20 50 CCGDMM CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000818126143 955385367 /nfs/dbraw/zinc/38/53/67/955385367.db2.gz MQMYHNAETBBBLU-ZJUUUORDSA-N -1 1 285.344 0.119 20 50 CCGDMM COC(=O)c1ccc(NNC(=O)[C@H](C(=O)[O-])C(C)C)nc1 ZINC001593883244 955729696 /nfs/dbraw/zinc/72/96/96/955729696.db2.gz UWHHUAUNVFENLE-SNVBAGLBSA-N -1 1 295.295 0.668 20 50 CCGDMM N#Cc1ccc(=NNC(=O)c2cnc(C(=O)[O-])cn2)[nH]c1 ZINC001594624198 956302453 /nfs/dbraw/zinc/30/24/53/956302453.db2.gz SMQVFWRKAGBTDJ-UHFFFAOYSA-N -1 1 284.235 0.198 20 50 CCGDMM COc1nccnc1NNC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001594159790 958874106 /nfs/dbraw/zinc/87/41/06/958874106.db2.gz XRDNIKYJYXPLNQ-SSDOTTSWSA-N -1 1 282.300 0.675 20 50 CCGDMM C=CCNC(=S)NNC(=O)c1ccc(C(=O)[O-])o1 ZINC001588845390 984362037 /nfs/dbraw/zinc/36/20/37/984362037.db2.gz KKTLKSKBMICZMO-UHFFFAOYSA-N -1 1 269.282 0.273 20 50 CCGDMM CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H]1CC(=O)[O-] ZINC000833422006 604969393 /nfs/dbraw/zinc/96/93/93/604969393.db2.gz QSOCLITYKYRZGH-SECBINFHSA-N -1 1 285.344 0.119 20 50 CCGDMM O=C([O-])NCCCC(=O)NNc1ncc(F)cn1 ZINC000834232258 605611003 /nfs/dbraw/zinc/61/10/03/605611003.db2.gz PNYIIIYLWFVJTM-UHFFFAOYSA-N -1 1 257.225 0.107 20 50 CCGDMM O=C([O-])NCCCC(=O)NN=c1ncc(F)c[nH]1 ZINC000834232258 605611007 /nfs/dbraw/zinc/61/10/07/605611007.db2.gz PNYIIIYLWFVJTM-UHFFFAOYSA-N -1 1 257.225 0.107 20 50 CCGDMM CC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000823994690 608091835 /nfs/dbraw/zinc/09/18/35/608091835.db2.gz MJXLMPIXJSOSTI-UHFFFAOYSA-N -1 1 250.287 0.788 20 50 CCGDMM Cn1cccc1C(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822689192 946157706 /nfs/dbraw/zinc/15/77/06/946157706.db2.gz HXNYDGQSJGZWJQ-UHFFFAOYSA-N -1 1 285.267 0.562 20 50 CCGDMM Cn1cccc1C(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822689192 946157709 /nfs/dbraw/zinc/15/77/09/946157709.db2.gz HXNYDGQSJGZWJQ-UHFFFAOYSA-N -1 1 285.267 0.562 20 50 CCGDMM O=C(CC(F)(F)F)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822935197 946222735 /nfs/dbraw/zinc/22/27/35/946222735.db2.gz GRIONHVDHWWNDI-UHFFFAOYSA-N -1 1 288.189 0.862 20 50 CCGDMM O=C(CC(F)(F)F)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822935197 946222743 /nfs/dbraw/zinc/22/27/43/946222743.db2.gz GRIONHVDHWWNDI-UHFFFAOYSA-N -1 1 288.189 0.862 20 50 CCGDMM O=C([O-])[C@]1(C(=O)NN=c2ncc(F)c[n-]2)CC=CCC1 ZINC001605935822 972876684 /nfs/dbraw/zinc/87/66/84/972876684.db2.gz UJQDFYMJWXPCJM-GFCCVEGCSA-N -1 1 280.259 0.870 20 50 CCGDMM O=C([O-])[C@]1(C(=O)NN=c2ncc(F)c[nH]2)CC=CCC1 ZINC001605935822 972876692 /nfs/dbraw/zinc/87/66/92/972876692.db2.gz UJQDFYMJWXPCJM-GFCCVEGCSA-N -1 1 280.259 0.870 20 50 CCGDMM COC(=O)c1ccc(NNC(=O)[C@H](C(=O)[O-])C2CC2)nc1 ZINC001604391645 973128094 /nfs/dbraw/zinc/12/80/94/973128094.db2.gz XALDYWOUYFJPMC-SNVBAGLBSA-N -1 1 293.279 0.422 20 50 CCGDMM CO[C@@](C)(C(=O)[O-])C(=O)NN=c1[nH]cncc1Cl ZINC001604464648 973339594 /nfs/dbraw/zinc/33/95/94/973339594.db2.gz YHVKDYJLKYCGFJ-SECBINFHSA-N -1 1 274.664 0.063 20 50 CCGDMM Cc1cc(CC(=O)NN=Cc2c[nH]c(C(=O)[O-])c2)[nH]n1 ZINC000814786934 978884982 /nfs/dbraw/zinc/88/49/82/978884982.db2.gz IGJWUWYJADOFTK-UHFFFAOYSA-N -1 1 275.268 0.437 20 50 CCGDMM Cc1cc(NNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)nc(C)n1 ZINC000830122592 603902286 /nfs/dbraw/zinc/90/22/86/603902286.db2.gz NHZOUYHEUVWZEZ-GFCCVEGCSA-N -1 1 297.290 0.629 20 50 CCGDMM Cc1cc(NNC(=O)[C@@H]2CCCN2C(=O)[O-])nc(C)n1 ZINC000830123597 604005248 /nfs/dbraw/zinc/00/52/48/604005248.db2.gz XISISDAAVLXUFP-VIFPVBQESA-N -1 1 279.300 0.679 20 50 CCGDMM COCCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736977667 944924945 /nfs/dbraw/zinc/92/49/45/944924945.db2.gz ZXTMVEKSIGTYTM-UHFFFAOYSA-N -1 1 295.303 0.458 20 50 CCGDMM CCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821114484 945637773 /nfs/dbraw/zinc/63/77/73/945637773.db2.gz UFUKQMXRAXEIOS-VURMDHGXSA-N -1 1 272.268 0.893 20 50 CCGDMM CCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821114484 945637776 /nfs/dbraw/zinc/63/77/76/945637776.db2.gz UFUKQMXRAXEIOS-VURMDHGXSA-N -1 1 272.268 0.893 20 50 CCGDMM CCCNC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821113848 945638249 /nfs/dbraw/zinc/63/82/49/945638249.db2.gz GDTBUHBWNCOQBI-UHFFFAOYSA-N -1 1 279.329 0.971 20 50 CCGDMM COCC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000826148108 947475038 /nfs/dbraw/zinc/47/50/38/947475038.db2.gz YTWIGMJWSLXGGI-UHFFFAOYSA-N -1 1 280.313 0.415 20 50 CCGDMM Cc1cc(CC(=O)NN=Cc2cccn2CC(=O)[O-])[nH]n1 ZINC001605164526 972858451 /nfs/dbraw/zinc/85/84/51/972858451.db2.gz ULNPRTFVTXWAIP-UHFFFAOYSA-N -1 1 289.295 0.297 20 50 CCGDMM COc1cccc(=NNC(=O)N[C@@H](C)CC(=O)[O-])[nH]1 ZINC001604870886 974118564 /nfs/dbraw/zinc/11/85/64/974118564.db2.gz HXNXLOLBRAJVRF-ZETCQYMHSA-N -1 1 268.273 0.580 20 50 CCGDMM CC(C)c1ncc[nH]c1=NNC(=O)COCC(=O)[O-] ZINC001592039811 976762727 /nfs/dbraw/zinc/76/27/27/976762727.db2.gz OTDZDTLTCMQSSX-UHFFFAOYSA-N -1 1 268.273 0.144 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000826754067 601504977 /nfs/dbraw/zinc/50/49/77/601504977.db2.gz IHDMXKZRFFKFHQ-OUAUKWLOSA-N -1 1 299.371 0.221 20 50 CCGDMM C[C@@H](CN(CC(=O)NNC(=O)C(C)(C)C)C1CC1)C(=O)[O-] ZINC000827450276 604746233 /nfs/dbraw/zinc/74/62/33/604746233.db2.gz UVMASRKFTSHUNB-VIFPVBQESA-N -1 1 299.371 0.365 20 50 CCGDMM Cc1cc(CC(=O)NN=CCCNC(=O)[O-])[nH]n1 ZINC000830030239 605463802 /nfs/dbraw/zinc/46/38/02/605463802.db2.gz MWZSPJKZCGSEIQ-UHFFFAOYSA-N -1 1 253.262 0.020 20 50 CCGDMM C[C@H](C(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1O ZINC001602804022 971581924 /nfs/dbraw/zinc/58/19/24/971581924.db2.gz DGUHSPUDAOTTMV-YFKPBYRVSA-N -1 1 286.671 0.527 20 50 CCGDMM C[C@H]1CCN(CC(=O)NN=c2[nH]cccc2C(=O)[O-])C1 ZINC001589353463 954104007 /nfs/dbraw/zinc/10/40/07/954104007.db2.gz RRBMMLSYNIHBST-VIFPVBQESA-N -1 1 278.312 0.565 20 50 CCGDMM C[C@@H](CC(=O)[O-])NC(=O)NN=c1[nH]cncc1F ZINC001589001926 955333424 /nfs/dbraw/zinc/33/34/24/955333424.db2.gz PALPUPJUVTZWTR-YFKPBYRVSA-N -1 1 257.225 0.105 20 50 CCGDMM COC(=O)c1ccc(NNC(=O)CCCC(=O)[O-])nc1 ZINC001593883109 955728166 /nfs/dbraw/zinc/72/81/66/955728166.db2.gz RXFDKQPOEWZTDY-UHFFFAOYSA-N -1 1 281.268 0.566 20 50 CCGDMM C[C@@](C#N)(CC(=O)[O-])C(=O)NNc1ccnc2cccnc21 ZINC001573365072 958618805 /nfs/dbraw/zinc/61/88/05/958618805.db2.gz RVXCKPGQLWDRRK-AWEZNQCLSA-N -1 1 299.290 0.499 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)NC(C)(C)C(=O)[O-] ZINC001588843939 961850251 /nfs/dbraw/zinc/85/02/51/961850251.db2.gz UZIPOFYWRAMYGW-QMMMGPOBSA-N -1 1 273.333 0.021 20 50 CCGDMM C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CC[C@H]1C(=O)[O-] ZINC001599927851 985237356 /nfs/dbraw/zinc/23/73/56/985237356.db2.gz LITVBAACXZNJHU-VHSXEESVSA-N -1 1 299.371 0.223 20 50 CCGDMM O=C([O-])NCC(=O)NNC(=O)c1cc2cccc(F)c2o1 ZINC000834203557 605471034 /nfs/dbraw/zinc/47/10/34/605471034.db2.gz SVRWPQQZIGBGRY-UHFFFAOYSA-N -1 1 295.226 0.601 20 50 CCGDMM N#Cc1ccc(C(=O)NNC(=O)CCCNC(=O)[O-])s1 ZINC000833972570 605975854 /nfs/dbraw/zinc/97/58/54/605975854.db2.gz FCPKWKRVALLJLL-UHFFFAOYSA-N -1 1 296.308 0.429 20 50 CCGDMM CN(N=Cc1ccc(-c2nn[n-]n2)s1)C(N)=O ZINC000826004449 608475173 /nfs/dbraw/zinc/47/51/73/608475173.db2.gz YOJXMGLYYNGNHX-UHFFFAOYSA-N -1 1 251.275 0.273 20 50 CCGDMM C#CCSCC(=O)NN=c1ccc(-c2nn[n-]n2)c[nH]1 ZINC001573290421 946904703 /nfs/dbraw/zinc/90/47/03/946904703.db2.gz YGFHENNXAYTGGI-UHFFFAOYSA-N -1 1 289.324 0.071 20 50 CCGDMM CC(C)C(=O)NNC(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC001602959510 971944041 /nfs/dbraw/zinc/94/40/41/971944041.db2.gz WOYCGWPHGUTDCA-SNVBAGLBSA-N -1 1 285.344 0.119 20 50 CCGDMM C[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)NNC(=O)C(C)(C)C ZINC001589305730 953737984 /nfs/dbraw/zinc/73/79/84/953737984.db2.gz QGNZICARLDOALK-VHSXEESVSA-N -1 1 299.371 0.365 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H](C(=O)[O-])C(C)C ZINC000819966766 955462684 /nfs/dbraw/zinc/46/26/84/955462684.db2.gz CYODNDSKVMAXLF-MWLCHTKSSA-N -1 1 287.360 0.267 20 50 CCGDMM CC[C@H](C)[C@H](NCC(=O)NNC(=O)C(C)(C)C)C(=O)[O-] ZINC000820459554 955471182 /nfs/dbraw/zinc/47/11/82/955471182.db2.gz BVBXXFSHEMPQQC-WPRPVWTQSA-N -1 1 287.360 0.269 20 50 CCGDMM COc1nccnc1NNC(=O)C1(C(=O)[O-])CCCCC1 ZINC001604912158 972463842 /nfs/dbraw/zinc/46/38/42/972463842.db2.gz RIYFZIWIXQMAEM-UHFFFAOYSA-N -1 1 294.311 0.963 20 50 CCGDMM COc1cccc(=NNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)[nH]1 ZINC001599679987 994963982 /nfs/dbraw/zinc/96/39/82/994963982.db2.gz RQQUIJSKXZFIDH-SOCHQFKDSA-N -1 1 295.295 0.412 20 50 CCGDMM Cc1cc(NNC(=O)CC2CN(C(=O)[O-])C2)nc(C)n1 ZINC000830122151 604066084 /nfs/dbraw/zinc/06/60/84/604066084.db2.gz JZYBTKNTDTUNEB-UHFFFAOYSA-N -1 1 279.300 0.536 20 50 CCGDMM CCOC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821313711 945668738 /nfs/dbraw/zinc/66/87/38/945668738.db2.gz HSWQLKQJPXVETO-FNORWQNLSA-N -1 1 259.225 0.930 20 50 CCGDMM CCOC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821313711 945668744 /nfs/dbraw/zinc/66/87/44/945668744.db2.gz HSWQLKQJPXVETO-FNORWQNLSA-N -1 1 259.225 0.930 20 50 CCGDMM O=C(Cc1ccncc1)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823115157 946318236 /nfs/dbraw/zinc/31/82/36/946318236.db2.gz LSWXHUUDOZVUSA-UHFFFAOYSA-N -1 1 297.278 0.548 20 50 CCGDMM O=C(Cc1ccncc1)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823115157 946318245 /nfs/dbraw/zinc/31/82/45/946318245.db2.gz LSWXHUUDOZVUSA-UHFFFAOYSA-N -1 1 297.278 0.548 20 50 CCGDMM O=C(NCC1CC1)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823171093 946336280 /nfs/dbraw/zinc/33/62/80/946336280.db2.gz OFYBNHRCYXDTHZ-UHFFFAOYSA-N -1 1 275.272 0.503 20 50 CCGDMM O=C(NCC1CC1)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823171093 946336289 /nfs/dbraw/zinc/33/62/89/946336289.db2.gz OFYBNHRCYXDTHZ-UHFFFAOYSA-N -1 1 275.272 0.503 20 50 CCGDMM O=C([O-])C1(C(=O)NN=c2[nH]cncc2F)CCC1 ZINC001594867260 954319354 /nfs/dbraw/zinc/31/93/54/954319354.db2.gz JPLNAFBXACSFSD-UHFFFAOYSA-N -1 1 254.221 0.314 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H](C(=O)[O-])C(C)C ZINC001588843178 961837596 /nfs/dbraw/zinc/83/75/96/961837596.db2.gz CYODNDSKVMAXLF-ONGXEEELSA-N -1 1 287.360 0.267 20 50 CCGDMM CC(C)c1ncc[nH]c1=NNC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001588976248 962699586 /nfs/dbraw/zinc/69/95/86/962699586.db2.gz VOUPEVRBFOGWST-QMMMGPOBSA-N -1 1 293.283 0.273 20 50 CCGDMM C[C@H]1C[C@@H](C(=O)[O-])CN(CC(=O)NNC(=O)C(C)(C)C)C1 ZINC001603368591 972884452 /nfs/dbraw/zinc/88/44/52/972884452.db2.gz RTIDXSUEWYVVLA-VHSXEESVSA-N -1 1 299.371 0.223 20 50 CCGDMM COC(=O)c1ccc(NNC(=O)[C@@H](C(=O)[O-])C2CC2)nc1 ZINC001604391644 973128466 /nfs/dbraw/zinc/12/84/66/973128466.db2.gz XALDYWOUYFJPMC-JTQLQIEISA-N -1 1 293.279 0.422 20 50 CCGDMM CC1CCN(CC(=O)NN=c2[nH]cccc2C(=O)[O-])CC1 ZINC001603426711 973159238 /nfs/dbraw/zinc/15/92/38/973159238.db2.gz LKWFBUZXGSSUCS-UHFFFAOYSA-N -1 1 292.339 0.955 20 50 CCGDMM O=C([O-])c1ccccc1CC(=O)NNc1ncc(F)cn1 ZINC001605720369 974154315 /nfs/dbraw/zinc/15/43/15/974154315.db2.gz SWQHPIVPRGOGQT-UHFFFAOYSA-N -1 1 290.254 1.000 20 50 CCGDMM O=C([O-])c1ccccc1CC(=O)NN=c1ncc(F)c[nH]1 ZINC001605720369 974154319 /nfs/dbraw/zinc/15/43/19/974154319.db2.gz SWQHPIVPRGOGQT-UHFFFAOYSA-N -1 1 290.254 1.000 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736402293 978330020 /nfs/dbraw/zinc/33/00/20/978330020.db2.gz RBPVDRPGSLEBNM-WDEREUQCSA-N -1 1 299.371 0.365 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)[C@H](C)CC(=O)[O-] ZINC000833010819 602151096 /nfs/dbraw/zinc/15/10/96/602151096.db2.gz VHZSMQTWXORLEQ-RXMQYKEDSA-N -1 1 271.298 0.323 20 50 CCGDMM Cc1cc(NNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)nc(C)n1 ZINC000830122593 603902461 /nfs/dbraw/zinc/90/24/61/603902461.db2.gz NHZOUYHEUVWZEZ-LBPRGKRZSA-N -1 1 297.290 0.629 20 50 CCGDMM Cc1cc(NNC(=O)[C@@H]2C[C@H]2C(=O)[O-])nc(C)n1 ZINC000738462732 978542093 /nfs/dbraw/zinc/54/20/93/978542093.db2.gz VNCGFOJSXHJCQK-HTQZYQBOSA-N -1 1 250.258 0.257 20 50 CCGDMM O=C([O-])NCCC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000832599212 604005810 /nfs/dbraw/zinc/00/58/10/604005810.db2.gz GEZCSEFQSOJSFI-UHFFFAOYSA-N -1 1 291.267 0.436 20 50 CCGDMM CC(C)N1CC(=NNC(=O)NCCNC(=O)[O-])[C@@H](C)C1 ZINC000826042188 604045993 /nfs/dbraw/zinc/04/59/93/604045993.db2.gz NHAXVJBTYWRBRU-VIFPVBQESA-N -1 1 285.348 0.269 20 50 CCGDMM O=C([O-])CCC(=O)NNC(=O)c1ccc(Cl)cc1O ZINC001611416588 971036966 /nfs/dbraw/zinc/03/69/66/971036966.db2.gz NNNFVCAVMMRLAB-UHFFFAOYSA-N -1 1 286.671 0.671 20 50 CCGDMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)NNC(=O)C(C)(C)C ZINC001589305725 953737418 /nfs/dbraw/zinc/73/74/18/953737418.db2.gz QGNZICARLDOALK-NXEZZACHSA-N -1 1 299.371 0.365 20 50 CCGDMM CCC(CC)(C(=O)[O-])C(=O)NN=c1[nH]cncc1F ZINC001589475650 954955782 /nfs/dbraw/zinc/95/57/82/954955782.db2.gz FEOULRQVULYKIW-UHFFFAOYSA-N -1 1 270.264 0.950 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000736402688 955217425 /nfs/dbraw/zinc/21/74/25/955217425.db2.gz WMSNKMJPVREGGQ-VHSXEESVSA-N -1 1 287.360 0.221 20 50 CCGDMM COc1cccc(=NNC(=O)[C@](C)(OC)C(=O)[O-])[nH]1 ZINC001594131861 958684031 /nfs/dbraw/zinc/68/40/31/958684031.db2.gz RFQSWLSKXDUCEO-NSHDSACASA-N -1 1 269.257 0.023 20 50 CCGDMM COc1nccnc1NNC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001594159178 958867312 /nfs/dbraw/zinc/86/73/12/958867312.db2.gz HMJUIBMMQRDXBY-GFCCVEGCSA-N -1 1 280.284 0.429 20 50 CCGDMM Cc1[nH]cnc1CC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001594251780 959613885 /nfs/dbraw/zinc/61/38/85/959613885.db2.gz XXNHAPMMZSZEKP-UHFFFAOYSA-N -1 1 275.268 0.497 20 50 CCGDMM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)NNC(=O)C(C)(C)C)C1 ZINC001603368592 972883649 /nfs/dbraw/zinc/88/36/49/972883649.db2.gz RTIDXSUEWYVVLA-ZJUUUORDSA-N -1 1 299.371 0.223 20 50 CCGDMM Cc1cc(=NNC(=O)C(C)(C)C(=O)[O-])nc(C)[nH]1 ZINC001605213371 972956133 /nfs/dbraw/zinc/95/61/33/972956133.db2.gz GHBGMJQYPYERFD-UHFFFAOYSA-N -1 1 252.274 0.647 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)CCCNC(=O)[O-] ZINC000738893108 978607569 /nfs/dbraw/zinc/60/75/69/978607569.db2.gz XYKBPUQTFWODOK-UHFFFAOYSA-N -1 1 286.313 0.260 20 50 CCGDMM O=C([O-])N1CCC[C@H](C(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834050188 605612825 /nfs/dbraw/zinc/61/28/25/605612825.db2.gz XBYDDIONQQZMJC-ZETCQYMHSA-N -1 1 283.263 0.449 20 50 CCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](C)C#N)o1 ZINC000735503133 944668892 /nfs/dbraw/zinc/66/88/92/944668892.db2.gz HDIDYBSAWXBAGZ-LURJTMIESA-N -1 1 290.287 0.581 20 50 CCGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(N)=C(C#N)C#N ZINC000822795608 946175171 /nfs/dbraw/zinc/17/51/71/946175171.db2.gz DCCFUBLQUJEOMC-CLTKARDFSA-N -1 1 278.235 0.627 20 50 CCGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(N)=C(C#N)C#N ZINC000822795608 946175179 /nfs/dbraw/zinc/17/51/79/946175179.db2.gz DCCFUBLQUJEOMC-CLTKARDFSA-N -1 1 278.235 0.627 20 50 CCGDMM O=C([O-])c1ccc[nH]c1=NNC(=O)c1[nH]nc2c1CCC2 ZINC001574819632 957902369 /nfs/dbraw/zinc/90/23/69/957902369.db2.gz AMHSRBJAJWPDIG-UHFFFAOYSA-N -1 1 287.279 0.749 20 50 CCGDMM Cc1cc(NNC(=O)c2ccc(C(=O)[O-])nc2)nc(C)n1 ZINC001594325176 958160270 /nfs/dbraw/zinc/16/02/70/958160270.db2.gz DYOPFKCPDGJBSR-UHFFFAOYSA-N -1 1 287.279 0.944 20 50 CCGDMM COc1cccc(NNC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001594131579 958677870 /nfs/dbraw/zinc/67/78/70/958677870.db2.gz DJVSSIZSQRVHBL-DTWKUNHWSA-N -1 1 294.311 0.970 20 50 CCGDMM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC001606528400 974033268 /nfs/dbraw/zinc/03/32/68/974033268.db2.gz DOVQOANDSUSFJU-LLVKDONJSA-N -1 1 290.323 0.850 20 50 CCGDMM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@H]1CCCN1C1CC1 ZINC001606528400 974033277 /nfs/dbraw/zinc/03/32/77/974033277.db2.gz DOVQOANDSUSFJU-LLVKDONJSA-N -1 1 290.323 0.850 20 50 CCGDMM COc1cccc(=NNC(=O)CCCC(=O)[O-])[nH]1 ZINC001604871563 974121513 /nfs/dbraw/zinc/12/15/13/974121513.db2.gz WSNMIKYUCQGJKS-UHFFFAOYSA-N -1 1 253.258 0.788 20 50 CCGDMM O=C([O-])[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1O ZINC000739454774 978640062 /nfs/dbraw/zinc/64/00/62/978640062.db2.gz UUNOXACLUJSCSF-HTQZYQBOSA-N -1 1 298.682 0.527 20 50 CCGDMM O=C([O-])C1CCC(=NNC(=O)c2cc[nH]n2)CC1 ZINC000853392594 979605580 /nfs/dbraw/zinc/60/55/80/979605580.db2.gz RIJOXXFGSNNSCY-UHFFFAOYSA-N -1 1 250.258 0.770 20 50 CCGDMM CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594712425 987176403 /nfs/dbraw/zinc/17/64/03/987176403.db2.gz LKDVBUZWJZWOSV-GHMZBOCLSA-N -1 1 299.371 0.509 20 50 CCGDMM C[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1F)N(C)C ZINC001599831139 988677237 /nfs/dbraw/zinc/67/72/37/988677237.db2.gz RKCPJCZWPODTOE-ZETCQYMHSA-N -1 1 269.276 0.917 20 50 CCGDMM COc1nccnc1NNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001599738889 991816761 /nfs/dbraw/zinc/81/67/61/991816761.db2.gz NJEYOTHKWLENHL-BDAKNGLRSA-N -1 1 294.311 0.819 20 50 CCGDMM CN1CCCC[C@H]1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001598601289 993573769 /nfs/dbraw/zinc/57/37/69/993573769.db2.gz XXXFNSJZGHFRSV-JTQLQIEISA-N -1 1 278.312 0.707 20 50 CCGDMM C[C@@H](NC(=O)[O-])C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000825187008 603496469 /nfs/dbraw/zinc/49/64/69/603496469.db2.gz XMDWYCQEAVVRDS-SSDOTTSWSA-N -1 1 291.263 0.850 20 50 CCGDMM Cc1cc(NNC(=O)[C@H]2CCCN2C(=O)[O-])nc(C)n1 ZINC000830123596 604004743 /nfs/dbraw/zinc/00/47/43/604004743.db2.gz XISISDAAVLXUFP-SECBINFHSA-N -1 1 279.300 0.679 20 50 CCGDMM CS(=O)(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821920606 945904248 /nfs/dbraw/zinc/90/42/48/945904248.db2.gz VFHRVMASQLRSBG-QPJJXVBHSA-N -1 1 281.322 0.837 20 50 CCGDMM CN(C)c1nccc(NNC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])n1 ZINC001593715148 954208281 /nfs/dbraw/zinc/20/82/81/954208281.db2.gz GRVZGTLCHJLLCN-SFYZADRCSA-N -1 1 279.300 0.097 20 50 CCGDMM CN1CCC[C@@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001593780258 954641736 /nfs/dbraw/zinc/64/17/36/954641736.db2.gz WSPOIQXJVPFQNW-SECBINFHSA-N -1 1 264.285 0.317 20 50 CCGDMM CCC(CC)(C(=O)[O-])C(=O)NNC(=O)Cc1cc(C)n[nH]1 ZINC001589476070 954958932 /nfs/dbraw/zinc/95/89/32/954958932.db2.gz VDTQBMALYDMZML-UHFFFAOYSA-N -1 1 296.327 0.299 20 50 CCGDMM COc1cccc(=NNC(=O)[C@@](C)(OC)C(=O)[O-])[nH]1 ZINC001594131860 958684359 /nfs/dbraw/zinc/68/43/59/958684359.db2.gz RFQSWLSKXDUCEO-LLVKDONJSA-N -1 1 269.257 0.023 20 50 CCGDMM C=C(CBr)CN1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001588605463 983692719 /nfs/dbraw/zinc/69/27/19/983692719.db2.gz IKBSFZAKJOXUSR-IUCAKERBSA-N -1 1 278.146 0.705 20 50 CCGDMM COc1cccc(NNC(=O)c2ccc(C(=O)[O-])n2C)n1 ZINC001599680006 994963816 /nfs/dbraw/zinc/96/38/16/994963816.db2.gz SXERKPDKEUTSPV-UHFFFAOYSA-N -1 1 290.279 0.884 20 50 CCGDMM CC(C)(C)C(=O)NNC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000826134872 600989940 /nfs/dbraw/zinc/98/99/40/600989940.db2.gz FTYWTPTUWIQBKH-JTQLQIEISA-N -1 1 299.371 0.509 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000736402689 955217012 /nfs/dbraw/zinc/21/70/12/955217012.db2.gz WMSNKMJPVREGGQ-ZJUUUORDSA-N -1 1 287.360 0.221 20 50 CCGDMM C[C@@H](CNC(=O)NNc1ccnc2cccnc21)C(=O)[O-] ZINC001589056658 955701778 /nfs/dbraw/zinc/70/17/78/955701778.db2.gz RIMBYVRIRCLLNL-QMMMGPOBSA-N -1 1 289.295 0.399 20 50 CCGDMM CC(C)[C@@H](CNC(=O)NN=c1ccnc[nH]1)C(=O)[O-] ZINC001588824902 961661508 /nfs/dbraw/zinc/66/15/08/961661508.db2.gz HBHKXEJPXHMMFC-MRVPVSSYSA-N -1 1 267.289 0.460 20 50 CCGDMM COc1cccc(=NNC(=O)N[C@H](C)CC(=O)[O-])[nH]1 ZINC001604870885 974118542 /nfs/dbraw/zinc/11/85/42/974118542.db2.gz HXNXLOLBRAJVRF-SSDOTTSWSA-N -1 1 268.273 0.580 20 50 CCGDMM O=C([O-])[C@H]1C[C@H]1C(=O)NNC(=O)c1ccc(Cl)cc1O ZINC000739454778 978640224 /nfs/dbraw/zinc/64/02/24/978640224.db2.gz UUNOXACLUJSCSF-SFYZADRCSA-N -1 1 298.682 0.527 20 50 CCGDMM O=C([O-])[C@H]1C[C@H]1C(=O)NNc1ccnc2ccccc21 ZINC000739545678 978643880 /nfs/dbraw/zinc/64/38/80/978643880.db2.gz AJSINAGFNMQSHN-ZJUUUORDSA-N -1 1 271.276 0.821 20 50 CCGDMM CCO/C=C(\C#N)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001596864109 985659873 /nfs/dbraw/zinc/65/98/73/985659873.db2.gz UKSKJETXGJBOFG-KPMWUXBGSA-N -1 1 295.339 0.438 20 50 CCGDMM CC(C)C(=O)NNC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC001590938882 990968755 /nfs/dbraw/zinc/96/87/55/990968755.db2.gz LCHCAGRRCKIHPF-UHFFFAOYSA-N -1 1 285.344 0.167 20 50 CCGDMM COc1cccc(NNC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)n1 ZINC001599679997 994963743 /nfs/dbraw/zinc/96/37/43/994963743.db2.gz SDFXDDHFVJGTSM-SECBINFHSA-N -1 1 292.295 0.890 20 50 CCGDMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000833179536 602049276 /nfs/dbraw/zinc/04/92/76/602049276.db2.gz SIEWWAYQECPKSU-JGVFFNPUSA-N -1 1 288.263 0.499 20 50 CCGDMM Cc1cc(NNC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)nc(C)n1 ZINC000830122387 604065689 /nfs/dbraw/zinc/06/56/89/604065689.db2.gz LVMFXOKJNQQMMH-ZDUSSCGKSA-N -1 1 293.327 0.927 20 50 CCGDMM O=C([O-])N[C@H](CC(F)F)C(=O)NN=c1ncc(F)c[nH]1 ZINC000834134953 606082639 /nfs/dbraw/zinc/08/26/39/606082639.db2.gz MGLNEHFTFNXGSR-RXMQYKEDSA-N -1 1 293.205 0.350 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)NC1(C(=O)[O-])CCCC1 ZINC000738802142 955251192 /nfs/dbraw/zinc/25/11/92/955251192.db2.gz KNEAHARYVXZMFP-SNVBAGLBSA-N -1 1 299.371 0.555 20 50 CCGDMM C[C@H](CC(=O)[O-])NC(=O)NN=c1[nH]cncc1F ZINC001589001923 955333999 /nfs/dbraw/zinc/33/39/99/955333999.db2.gz PALPUPJUVTZWTR-RXMQYKEDSA-N -1 1 257.225 0.105 20 50 CCGDMM COc1nccnc1NNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001594159558 958872239 /nfs/dbraw/zinc/87/22/39/958872239.db2.gz QQRYMCGYQJEEJZ-SECBINFHSA-N -1 1 294.311 0.819 20 50 CCGDMM CC(C)[C@@H](C(=O)[O-])C(=O)NNc1ccnc2cccnc21 ZINC001588808846 961504995 /nfs/dbraw/zinc/50/49/95/961504995.db2.gz ZKSSCYOJFNKFSC-LLVKDONJSA-N -1 1 288.307 0.852 20 50 CCGDMM CCNC(=O)N(C)NC(=O)c1oc(C(=O)[O-])cc1C ZINC001596463399 984180996 /nfs/dbraw/zinc/18/09/96/984180996.db2.gz YNHMKDFGKGVDNO-UHFFFAOYSA-N -1 1 269.257 0.592 20 50 CCGDMM CN1CC[C@@H]1CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001598588729 993421585 /nfs/dbraw/zinc/42/15/85/993421585.db2.gz FOUPJTLZTUQAHW-SECBINFHSA-N -1 1 296.302 0.854 20 50 CCGDMM Cc1ccc(C(=O)NNC(=S)NCCCC(=O)[O-])o1 ZINC000832912018 601510651 /nfs/dbraw/zinc/51/06/51/601510651.db2.gz QMLAHMLDJKVESS-UHFFFAOYSA-N -1 1 285.325 0.562 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@](C)(C(=O)[O-])C1 ZINC000826754751 601933842 /nfs/dbraw/zinc/93/38/42/601933842.db2.gz RMZHWSWBBJAVBU-HZMBPMFUSA-N -1 1 299.371 0.365 20 50 CCGDMM O=C([O-])NCCCC(=O)NNC(=O)c1ccc(F)cc1O ZINC000834229670 605995451 /nfs/dbraw/zinc/99/54/51/605995451.db2.gz DUFWLKLZHDQKES-UHFFFAOYSA-N -1 1 299.258 0.340 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000736402687 955217469 /nfs/dbraw/zinc/21/74/69/955217469.db2.gz WMSNKMJPVREGGQ-UWVGGRQHSA-N -1 1 287.360 0.221 20 50 CCGDMM COC(=O)c1ccc(NNC(=O)[C@@H](C(=O)[O-])C(C)C)nc1 ZINC001593883243 955729620 /nfs/dbraw/zinc/72/96/20/955729620.db2.gz UWHHUAUNVFENLE-JTQLQIEISA-N -1 1 295.295 0.668 20 50 CCGDMM CO[C@@H](C(=O)[O-])C(=O)NN=c1[nH]ccnc1C(C)C ZINC001593912045 955974037 /nfs/dbraw/zinc/97/40/37/955974037.db2.gz WFZPMDZAUDPCKC-MRVPVSSYSA-N -1 1 268.273 0.143 20 50 CCGDMM CC(C)c1ncc[nH]c1=NNC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001573564206 959277293 /nfs/dbraw/zinc/27/72/93/959277293.db2.gz ARGQJEGYOKTNDB-ZDUSSCGKSA-N -1 1 294.311 0.677 20 50 CCGDMM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC(=O)NNC(=O)C(C)(C)C)C1 ZINC001603368589 972884429 /nfs/dbraw/zinc/88/44/29/972884429.db2.gz RTIDXSUEWYVVLA-NXEZZACHSA-N -1 1 299.371 0.223 20 50 CCGDMM CN(C)c1nccc(NNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001598358496 991476151 /nfs/dbraw/zinc/47/61/51/991476151.db2.gz AVADHEOLWNWADB-OCAPTIKFSA-N -1 1 279.300 0.097 20 50 CCGDMM COc1nccnc1NNC(=O)[C@H](C)CC(=O)[O-] ZINC001599738945 991818277 /nfs/dbraw/zinc/81/82/77/991818277.db2.gz QJTFZUBVYKSGPX-ZCFIWIBFSA-N -1 1 254.246 0.039 20 50 CCGDMM CNC(=S)N(C)NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001598661309 994600855 /nfs/dbraw/zinc/60/08/55/994600855.db2.gz BGUZODDFGIYNPR-UHFFFAOYSA-N -1 1 271.298 0.367 20 50 CCGDMM O=C([O-])[C@H]1C[C@H]1C(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000833179578 602049547 /nfs/dbraw/zinc/04/95/47/602049547.db2.gz SIEWWAYQECPKSU-SFYZADRCSA-N -1 1 288.263 0.499 20 50 CCGDMM O=C([O-])NNC(=O)CSc1n[nH]c(=S)s1 ZINC000832748584 603478162 /nfs/dbraw/zinc/47/81/62/603478162.db2.gz MXNASKREQOJFFE-UHFFFAOYSA-N -1 1 266.329 0.218 20 50 CCGDMM Cc1cc(NNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)nc(C)n1 ZINC000830121264 603639375 /nfs/dbraw/zinc/63/93/75/603639375.db2.gz ANAFNXUOZURCFT-VHSXEESVSA-N -1 1 293.327 0.973 20 50 CCGDMM O=C([O-])NCC(=O)NNC(=O)c1nccc2ccccc21 ZINC000834202986 605466950 /nfs/dbraw/zinc/46/69/50/605466950.db2.gz IXXOZLBHKJHMAW-UHFFFAOYSA-N -1 1 288.263 0.263 20 50 CCGDMM O=C(NNc1ccccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826449415 609263628 /nfs/dbraw/zinc/26/36/28/609263628.db2.gz RFDBXKBFIJDBIZ-UHFFFAOYSA-N -1 1 282.267 0.414 20 50 CCGDMM O=C(NNc1ccccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826449415 609263629 /nfs/dbraw/zinc/26/36/29/609263629.db2.gz RFDBXKBFIJDBIZ-UHFFFAOYSA-N -1 1 282.267 0.414 20 50 CCGDMM CC[C@H](C)C(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820859526 945571941 /nfs/dbraw/zinc/57/19/41/945571941.db2.gz FJXSQHOTGCSOEP-ZETCQYMHSA-N -1 1 262.273 0.956 20 50 CCGDMM CC[C@H](C)C(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820859526 945571950 /nfs/dbraw/zinc/57/19/50/945571950.db2.gz FJXSQHOTGCSOEP-ZETCQYMHSA-N -1 1 262.273 0.956 20 50 CCGDMM COC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821664669 945785570 /nfs/dbraw/zinc/78/55/70/945785570.db2.gz DOWRLZIGTXDARD-UHFFFAOYSA-N -1 1 252.259 0.618 20 50 CCGDMM COCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821691334 945821345 /nfs/dbraw/zinc/82/13/45/945821345.db2.gz QQDGCXJZSNQUHH-VURMDHGXSA-N -1 1 288.267 0.129 20 50 CCGDMM COCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821691334 945821360 /nfs/dbraw/zinc/82/13/60/945821360.db2.gz QQDGCXJZSNQUHH-VURMDHGXSA-N -1 1 288.267 0.129 20 50 CCGDMM O=C([O-])CCNC(=O)NNc1ccc(Cl)cn1 ZINC001595059175 951510914 /nfs/dbraw/zinc/51/09/14/951510914.db2.gz IBNKTDNHYHXOJD-UHFFFAOYSA-N -1 1 258.665 0.836 20 50 CCGDMM CCC(CC)(CNC(=O)NN=c1ccnc[nH]1)C(=O)[O-] ZINC001589497590 955020876 /nfs/dbraw/zinc/02/08/76/955020876.db2.gz PEROHKKMSGNGSX-UHFFFAOYSA-N -1 1 281.316 0.994 20 50 CCGDMM Nc1cnnc(NNC(=O)NCCCC(=O)[O-])c1Cl ZINC001594666784 956584415 /nfs/dbraw/zinc/58/44/15/956584415.db2.gz XBFNJYGQUQAXPD-UHFFFAOYSA-N -1 1 288.695 0.203 20 50 CCGDMM COc1nccnc1NNC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001594159792 958873449 /nfs/dbraw/zinc/87/34/49/958873449.db2.gz XRDNIKYJYXPLNQ-ZETCQYMHSA-N -1 1 282.300 0.675 20 50 CCGDMM C[C@H](C(=O)[O-])C(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1 ZINC001588576705 959236615 /nfs/dbraw/zinc/23/66/15/959236615.db2.gz VFCUQZDOFBNJOR-LURJTMIESA-N -1 1 276.252 0.499 20 50 CCGDMM CC(C)c1ncc[nH]c1=NNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001592039458 976761212 /nfs/dbraw/zinc/76/12/12/976761212.db2.gz JKXPIDWPOGQPTC-BDAKNGLRSA-N -1 1 294.311 0.675 20 50 CCGDMM COC(=O)CCCN1CCC(=NNC(=O)[O-])CC1 ZINC000737596291 978420997 /nfs/dbraw/zinc/42/09/97/978420997.db2.gz NDAVJZGARKCPON-UHFFFAOYSA-N -1 1 257.290 0.659 20 50 CCGDMM Cc1cc(NNC(=O)[C@H](NC(=O)[O-])C(C)C)nc(C)n1 ZINC000738238758 978505695 /nfs/dbraw/zinc/50/56/95/978505695.db2.gz CFXDFTMJFYEUHV-SNVBAGLBSA-N -1 1 281.316 0.829 20 50 CCGDMM Cc1cc(NNC(=O)[C@H]2C[C@@H]2C(=O)[O-])nc(C)n1 ZINC000738462735 978542179 /nfs/dbraw/zinc/54/21/79/978542179.db2.gz VNCGFOJSXHJCQK-YUMQZZPRSA-N -1 1 250.258 0.257 20 50 CCGDMM CCO/C=C(/C#N)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001596864111 985659549 /nfs/dbraw/zinc/65/95/49/985659549.db2.gz UKSKJETXGJBOFG-NIANNCQZSA-N -1 1 295.339 0.438 20 50 CCGDMM COc1nccnc1NNC(=O)CCCCC(=O)[O-] ZINC001599738347 991809094 /nfs/dbraw/zinc/80/90/94/991809094.db2.gz GCNBPCMHKZHMEM-UHFFFAOYSA-N -1 1 268.273 0.573 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)[C@@H](C)CC(=O)[O-] ZINC000833010820 602151217 /nfs/dbraw/zinc/15/12/17/602151217.db2.gz VHZSMQTWXORLEQ-YFKPBYRVSA-N -1 1 271.298 0.323 20 50 CCGDMM CC(C)(C)C(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000819898291 945309486 /nfs/dbraw/zinc/30/94/86/945309486.db2.gz DTADONSWRVMBQI-UHFFFAOYSA-N -1 1 262.273 0.956 20 50 CCGDMM CC(C)(C)C(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000819898291 945309492 /nfs/dbraw/zinc/30/94/92/945309492.db2.gz DTADONSWRVMBQI-UHFFFAOYSA-N -1 1 262.273 0.956 20 50 CCGDMM CCC(=O)NNC(=O)[C@H](C)N1CCC(C)(C(=O)[O-])CC1 ZINC001589425012 954610406 /nfs/dbraw/zinc/61/04/06/954610406.db2.gz PBTZKJXIKFFAHM-VIFPVBQESA-N -1 1 285.344 0.119 20 50 CCGDMM C[C@@H](C(=O)[O-])C(=O)NNC(=O)c1cc2ccccc2o1 ZINC001588573846 959204079 /nfs/dbraw/zinc/20/40/79/959204079.db2.gz LJRQSXCPXCKJAY-SSDOTTSWSA-N -1 1 276.248 0.915 20 50 CCGDMM O=C([O-])NCC(=O)NNc1ccnc2ccccc21 ZINC000738651410 978581355 /nfs/dbraw/zinc/58/13/55/978581355.db2.gz COJKIWGDBFICLP-UHFFFAOYSA-N -1 1 260.253 0.367 20 50 CCGDMM O=C([O-])NCCC(=O)NNc1ccnc2ccccc21 ZINC000738658278 978581972 /nfs/dbraw/zinc/58/19/72/978581972.db2.gz XMZDZHUJIATUDK-UHFFFAOYSA-N -1 1 274.280 0.758 20 50 CCGDMM CC[C@@H](C(=O)[O-])C(=O)NNC(=O)c1scnc1C ZINC001594755728 981668726 /nfs/dbraw/zinc/66/87/26/981668726.db2.gz PSOXYUHMGKAMLQ-ZCFIWIBFSA-N -1 1 271.298 0.323 20 50 CCGDMM C[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)N(C)C ZINC001599831031 988674787 /nfs/dbraw/zinc/67/47/87/988674787.db2.gz PNHCYEBBVJQNSM-QMMMGPOBSA-N -1 1 251.286 0.778 20 50 CCGDMM COc1nccnc1NNC(=O)[C@@H](C)CC(=O)[O-] ZINC001599738943 991818216 /nfs/dbraw/zinc/81/82/16/991818216.db2.gz QJTFZUBVYKSGPX-LURJTMIESA-N -1 1 254.246 0.039 20 50 CCGDMM CC(C)[C@@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)N(C)C ZINC000833464916 604804493 /nfs/dbraw/zinc/80/44/93/604804493.db2.gz DLYPPEDNVGOBJS-NSHDSACASA-N -1 1 280.328 0.809 20 50 CCGDMM C[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)NNC(=O)C(C)(C)C ZINC001589305727 953737967 /nfs/dbraw/zinc/73/79/67/953737967.db2.gz QGNZICARLDOALK-UWVGGRQHSA-N -1 1 299.371 0.365 20 50 CCGDMM O=C([O-])C1=NO[C@@H](C(=O)NNc2ccc(Cl)cn2)C1 ZINC001594891219 954530048 /nfs/dbraw/zinc/53/00/48/954530048.db2.gz VNIDMKHSMJYLBD-SSDOTTSWSA-N -1 1 284.659 0.408 20 50 CCGDMM Cc1cc(NNC(=O)[C@@](C)(C#N)CC(=O)[O-])nc(C)n1 ZINC000821041709 955487950 /nfs/dbraw/zinc/48/79/50/955487950.db2.gz HBQDCPSQSWLHBK-GFCCVEGCSA-N -1 1 277.284 0.541 20 50 CCGDMM CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594712428 987176295 /nfs/dbraw/zinc/17/62/95/987176295.db2.gz LKDVBUZWJZWOSV-WDEREUQCSA-N -1 1 299.371 0.509 20 50 CCGDMM CCC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594712427 987176417 /nfs/dbraw/zinc/17/64/17/987176417.db2.gz LKDVBUZWJZWOSV-QWRGUYRKSA-N -1 1 299.371 0.509 20 50 CCGDMM CCC(=O)NNC(=O)[C@@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000828570828 601845296 /nfs/dbraw/zinc/84/52/96/601845296.db2.gz ZFQMYROFLCKZEI-SNVBAGLBSA-N -1 1 299.371 0.509 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)CN(C(=O)[O-])C1CC1 ZINC000833917774 605973471 /nfs/dbraw/zinc/97/34/71/605973471.db2.gz KNZIMSHUYXRVRL-UHFFFAOYSA-N -1 1 298.324 0.355 20 50 CCGDMM CCc1nn(C/C=C\C#N)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517344 945711834 /nfs/dbraw/zinc/71/18/34/945711834.db2.gz IIRCBFASOVFPDG-WAYWQWQTSA-N -1 1 285.311 0.628 20 50 CCGDMM CC(C)C[C@@H](CNC(=O)NN=c1ccnc[nH]1)C(=O)[O-] ZINC001603010236 972061180 /nfs/dbraw/zinc/06/11/80/972061180.db2.gz BOEAVQHIHCSCNR-VIFPVBQESA-N -1 1 281.316 0.850 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)NCCCC(=O)[O-] ZINC000738373221 955238230 /nfs/dbraw/zinc/23/82/30/955238230.db2.gz DNQCWAHMSOELDU-UHFFFAOYSA-N -1 1 286.313 0.260 20 50 CCGDMM COc1cccc(=NNC(=O)[C@H]2CC[C@H]2C(=O)[O-])[nH]1 ZINC001594131741 958680565 /nfs/dbraw/zinc/68/05/65/958680565.db2.gz IUNOUCMNZDCOOK-JGVFFNPUSA-N -1 1 265.269 0.644 20 50 CCGDMM Cc1cc(NNC(=O)CCCNC(=O)[O-])nc(C)n1 ZINC000738462772 978542150 /nfs/dbraw/zinc/54/21/50/978542150.db2.gz XPFRKSUDXGQSQJ-UHFFFAOYSA-N -1 1 267.289 0.584 20 50 CCGDMM CCC[C@](C)(NCC(=O)NNC(=O)C(C)(C)C)C(=O)[O-] ZINC000829194078 601007647 /nfs/dbraw/zinc/00/76/47/601007647.db2.gz UEWWEQRKOOUKES-ZDUSSCGKSA-N -1 1 287.360 0.413 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000826754068 601505120 /nfs/dbraw/zinc/50/51/20/601505120.db2.gz IHDMXKZRFFKFHQ-VWYCJHECSA-N -1 1 299.371 0.221 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@](C)(C(=O)[O-])C1 ZINC000826754755 601933786 /nfs/dbraw/zinc/93/37/86/601933786.db2.gz RMZHWSWBBJAVBU-YGRLFVJLSA-N -1 1 299.371 0.365 20 50 CCGDMM CC(C)(CC(=O)[O-])[NH2+]CC(=O)N[N-]C(=O)c1cccs1 ZINC000833455953 605241587 /nfs/dbraw/zinc/24/15/87/605241587.db2.gz HQXZTHDHLUQRGA-UHFFFAOYSA-N -1 1 299.352 0.352 20 50 CCGDMM Cc1nc[nH]c1C=NNC(=O)CCCNC(=O)[O-] ZINC000833916482 605798860 /nfs/dbraw/zinc/79/88/60/605798860.db2.gz WXDVKIXNRGHYNU-UHFFFAOYSA-N -1 1 253.262 0.216 20 50 CCGDMM CCNC(=O)N(C)N=Cc1ccc(-c2nn[n-]n2)s1 ZINC000825470670 608752330 /nfs/dbraw/zinc/75/23/30/608752330.db2.gz HIDFZCCUKIMSOH-UHFFFAOYSA-N -1 1 279.329 0.923 20 50 CCGDMM CCNC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821294584 945664311 /nfs/dbraw/zinc/66/43/11/945664311.db2.gz VMRKEPVBTCQLLG-UHFFFAOYSA-N -1 1 265.302 0.581 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)c1ccccc1O ZINC000823273486 946383668 /nfs/dbraw/zinc/38/36/68/946383668.db2.gz PDKQUDNJTCWSRR-UHFFFAOYSA-N -1 1 298.262 0.929 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1O ZINC000823273486 946383672 /nfs/dbraw/zinc/38/36/72/946383672.db2.gz PDKQUDNJTCWSRR-UHFFFAOYSA-N -1 1 298.262 0.929 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)NC[C@@H](C)C(=O)[O-] ZINC000848586846 955757334 /nfs/dbraw/zinc/75/73/34/955757334.db2.gz XWJOPAQGYGZQIY-RXMQYKEDSA-N -1 1 286.313 0.116 20 50 CCGDMM COc1nccnc1NNC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001594159180 958866652 /nfs/dbraw/zinc/86/66/52/958866652.db2.gz HMJUIBMMQRDXBY-LBPRGKRZSA-N -1 1 280.284 0.429 20 50 CCGDMM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NN=c2ccnc[nH]2)CO1 ZINC001606111687 973322454 /nfs/dbraw/zinc/32/24/54/973322454.db2.gz MMDVWFBVUABEFU-RKDXNWHRSA-N -1 1 280.284 0.190 20 50 CCGDMM CC(=NN(C)C(N)=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823942332 608475199 /nfs/dbraw/zinc/47/51/99/608475199.db2.gz BHLSWLAMNKDYIV-UHFFFAOYSA-N -1 1 265.302 0.663 20 50 CCGDMM O=C([O-])NCC(=O)NN=Cc1cc(Cl)cc(F)c1O ZINC000834199764 605382054 /nfs/dbraw/zinc/38/20/54/605382054.db2.gz MBMRQAAOUMIHLB-UHFFFAOYSA-N -1 1 289.650 0.902 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)CCCCC(=O)[O-] ZINC001600760004 970859635 /nfs/dbraw/zinc/85/96/35/970859635.db2.gz CHTDLDPDGSBENK-UHFFFAOYSA-N -1 1 285.325 0.858 20 50 CCGDMM CC=CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736301423 944792144 /nfs/dbraw/zinc/79/21/44/944792144.db2.gz BHWMKVZDZJMXNS-PLNGDYQASA-N -1 1 277.288 0.997 20 50 CCGDMM C/C(C#N)=C/Cn1c(C)nc(-c2nn[n-]n2)c1C#N ZINC001573558239 946935758 /nfs/dbraw/zinc/93/57/58/946935758.db2.gz GPUOBZCDMQAWKD-CLTKARDFSA-N -1 1 254.257 0.713 20 50 CCGDMM O=C([O-])c1cncc(NC(=O)NN=c2ncc(F)c[nH]2)c1 ZINC001594782221 953642981 /nfs/dbraw/zinc/64/29/81/953642981.db2.gz SSLANROIVIHAEV-UHFFFAOYSA-N -1 1 292.230 0.858 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000736402686 955217219 /nfs/dbraw/zinc/21/72/19/955217219.db2.gz WMSNKMJPVREGGQ-NXEZZACHSA-N -1 1 287.360 0.221 20 50 CCGDMM O=C([O-])CCNC(=O)NNC(=O)c1cc2ccccc2o1 ZINC000819492419 955447233 /nfs/dbraw/zinc/44/72/33/955447233.db2.gz ILXVERCUMLUYDT-UHFFFAOYSA-N -1 1 291.263 0.852 20 50 CCGDMM COc1nccnc1NNC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001594159592 958871173 /nfs/dbraw/zinc/87/11/73/958871173.db2.gz SSGWYVOCBPERGR-RNFRBKRXSA-N -1 1 266.257 0.039 20 50 CCGDMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NNc1ccnc2ccccc21 ZINC000739545677 978643934 /nfs/dbraw/zinc/64/39/34/978643934.db2.gz AJSINAGFNMQSHN-VHSXEESVSA-N -1 1 271.276 0.821 20 50 CCGDMM CC(C)(CNC(=O)NN=c1[nH]cncc1Cl)C(=O)[O-] ZINC001590726743 990521172 /nfs/dbraw/zinc/52/11/72/990521172.db2.gz YSNBNEXHBVVZMD-UHFFFAOYSA-N -1 1 287.707 0.867 20 50 CCGDMM O=C([O-])NCC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000832396609 604005670 /nfs/dbraw/zinc/00/56/70/604005670.db2.gz ATWNTBXYQHCGNV-UHFFFAOYSA-N -1 1 277.240 0.046 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)C1(NC(=O)[O-])CC1 ZINC000830830292 604456573 /nfs/dbraw/zinc/45/65/73/604456573.db2.gz XSHITFHPCISMAF-UHFFFAOYSA-N -1 1 284.297 0.013 20 50 CCGDMM CC(C)C(=O)NNC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC001602959509 971944226 /nfs/dbraw/zinc/94/42/26/971944226.db2.gz WOYCGWPHGUTDCA-JTQLQIEISA-N -1 1 285.344 0.119 20 50 CCGDMM Cc1cc(=NNC(=O)c2ccc(C(=O)[O-])nc2)[nH]cn1 ZINC001594325328 958163686 /nfs/dbraw/zinc/16/36/86/958163686.db2.gz PSPKAFAEZWCWFD-UHFFFAOYSA-N -1 1 273.252 0.635 20 50 CCGDMM CC(C)(NCC(=O)NNC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC001588795131 961379469 /nfs/dbraw/zinc/37/94/69/961379469.db2.gz RLLCBNOCMIBRFJ-UHFFFAOYSA-N -1 1 297.286 0.040 20 50 CCGDMM CC(C)[C@H](C(=O)[O-])C(=O)NN=c1[nH]cncc1F ZINC001588808548 961500299 /nfs/dbraw/zinc/50/02/99/961500299.db2.gz RNZXIIPDNKEOGA-ZETCQYMHSA-N -1 1 256.237 0.416 20 50 CCGDMM C[C@H](C(=O)NNc1cccc(F)c1C(=O)[O-])N(C)C ZINC001599885501 984631935 /nfs/dbraw/zinc/63/19/35/984631935.db2.gz GUTCSOGWSNAFJT-SSDOTTSWSA-N -1 1 269.276 0.917 20 50 CCGDMM COc1nccnc1NNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001599738892 991817131 /nfs/dbraw/zinc/81/71/31/991817131.db2.gz NJEYOTHKWLENHL-RKDXNWHRSA-N -1 1 294.311 0.819 20 50 CCGDMM CN1CC[C@H]1CNC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001598588730 993421638 /nfs/dbraw/zinc/42/16/38/993421638.db2.gz FOUPJTLZTUQAHW-VIFPVBQESA-N -1 1 296.302 0.854 20 50 CCGDMM O=C([O-])[C@H]1C[C@H]1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000833149379 601324870 /nfs/dbraw/zinc/32/48/70/601324870.db2.gz OZYISJQDRCGMRO-BDAKNGLRSA-N -1 1 288.259 0.915 20 50 CCGDMM O=C(NNc1cccnn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823280545 606599740 /nfs/dbraw/zinc/59/97/40/606599740.db2.gz ALYQTKZOBDQKJE-UHFFFAOYSA-N -1 1 288.296 0.475 20 50 CCGDMM CC(C)NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820131726 945358410 /nfs/dbraw/zinc/35/84/10/945358410.db2.gz DOQJVTAFSYXHCP-YVMONPNESA-N -1 1 272.268 0.891 20 50 CCGDMM CC(C)NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820131726 945358421 /nfs/dbraw/zinc/35/84/21/945358421.db2.gz DOQJVTAFSYXHCP-YVMONPNESA-N -1 1 272.268 0.891 20 50 CCGDMM O=C([O-])CCC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC001594996988 951091375 /nfs/dbraw/zinc/09/13/75/951091375.db2.gz YAWBTABFOHJTGO-UHFFFAOYSA-N -1 1 276.252 0.643 20 50 CCGDMM CC(C)(C)C(=O)NNC(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000817797361 955367154 /nfs/dbraw/zinc/36/71/54/955367154.db2.gz ZTEDMYLFAXXNGP-JTQLQIEISA-N -1 1 299.371 0.367 20 50 CCGDMM C[C@@H](CNC(=O)NNc1nncc(N)c1Cl)C(=O)[O-] ZINC001603184122 972286378 /nfs/dbraw/zinc/28/63/78/972286378.db2.gz WEYVAQVORIMCFI-BYPYZUCNSA-N -1 1 288.695 0.059 20 50 CCGDMM COc1cccc(NNC(=O)c2cnc(C(=O)[O-])cn2)n1 ZINC001594131846 958683720 /nfs/dbraw/zinc/68/37/20/958683720.db2.gz QLGMUGNDJRCBPP-UHFFFAOYSA-N -1 1 289.251 0.335 20 50 CCGDMM C=CCNC(=S)NNC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001588845593 984364179 /nfs/dbraw/zinc/36/41/79/984364179.db2.gz ZJWLHJZFCFWGJP-UHFFFAOYSA-N -1 1 283.309 0.581 20 50 CCGDMM COc1cccc(=NNC(=O)C23CC(C(=O)[O-])(C2)C3)[nH]1 ZINC001599679702 994959716 /nfs/dbraw/zinc/95/97/16/994959716.db2.gz CBFCOOXDYUUZLO-UHFFFAOYSA-N -1 1 277.280 0.788 20 50 CCGDMM COC(=O)c1ccc(NNC(=O)[C@H](C)CC(=O)[O-])nc1 ZINC001598984235 998685883 /nfs/dbraw/zinc/68/58/83/998685883.db2.gz JEAQMWAVLYCGNN-SSDOTTSWSA-N -1 1 281.268 0.422 20 50 CCGDMM Cc1cc(NNC(=O)[C@]2(C)CCN(C(=O)[O-])C2)nc(C)n1 ZINC000830122385 604065867 /nfs/dbraw/zinc/06/58/67/604065867.db2.gz LVMFXOKJNQQMMH-CYBMUJFWSA-N -1 1 293.327 0.927 20 50 CCGDMM O=C([O-])NCC(=O)NNC(=O)c1ccc(Cl)s1 ZINC000834203537 605464696 /nfs/dbraw/zinc/46/46/96/605464696.db2.gz SJUWTNKQXRLKKQ-UHFFFAOYSA-N -1 1 277.689 0.430 20 50 CCGDMM O=C([O-])N[C@H]1CCC[C@H](C(=O)NNc2ncc(F)cn2)C1 ZINC000834169825 605610850 /nfs/dbraw/zinc/61/08/50/605610850.db2.gz ORHZDMUBQGBBKE-CBAPKCEASA-N -1 1 297.290 0.885 20 50 CCGDMM O=C([O-])N[C@H]1CCC[C@H](C(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834169825 605610853 /nfs/dbraw/zinc/61/08/53/605610853.db2.gz ORHZDMUBQGBBKE-CBAPKCEASA-N -1 1 297.290 0.885 20 50 CCGDMM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NN=c1ncc(F)c[nH]1 ZINC000834174783 605692439 /nfs/dbraw/zinc/69/24/39/605692439.db2.gz XWMTUSJUGRVAPE-JGVFFNPUSA-N -1 1 283.263 0.495 20 50 CCGDMM CC[C@@H](C)C(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820859524 945572050 /nfs/dbraw/zinc/57/20/50/945572050.db2.gz FJXSQHOTGCSOEP-SSDOTTSWSA-N -1 1 262.273 0.956 20 50 CCGDMM CC[C@@H](C)C(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820859524 945572056 /nfs/dbraw/zinc/57/20/56/945572056.db2.gz FJXSQHOTGCSOEP-SSDOTTSWSA-N -1 1 262.273 0.956 20 50 CCGDMM CCOC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821313708 945668921 /nfs/dbraw/zinc/66/89/21/945668921.db2.gz HSWQLKQJPXVETO-ALCCZGGFSA-N -1 1 259.225 0.930 20 50 CCGDMM CCOC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821313708 945668928 /nfs/dbraw/zinc/66/89/28/945668928.db2.gz HSWQLKQJPXVETO-ALCCZGGFSA-N -1 1 259.225 0.930 20 50 CCGDMM O=C(NCC1CC1)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823176306 946338263 /nfs/dbraw/zinc/33/82/63/946338263.db2.gz RKWPACPIVATAEL-UHFFFAOYSA-N -1 1 291.340 0.971 20 50 CCGDMM O=C([O-])CC1(C(=O)NN=c2[nH]cncc2F)CCC1 ZINC001594976197 950914123 /nfs/dbraw/zinc/91/41/23/950914123.db2.gz DZRGHIZTDQUHGJ-UHFFFAOYSA-N -1 1 268.248 0.704 20 50 CCGDMM Cc1cc(NNC(=O)CSCC(=O)[O-])nc(C)n1 ZINC000740091594 955256829 /nfs/dbraw/zinc/25/68/29/955256829.db2.gz REJOQVCINRODSN-UHFFFAOYSA-N -1 1 270.314 0.354 20 50 CCGDMM O=C([O-])CSCC(=O)NNc1ccnc2ccccc21 ZINC000740485507 955260534 /nfs/dbraw/zinc/26/05/34/955260534.db2.gz SUJKJIQRPPCVPM-UHFFFAOYSA-N -1 1 291.332 0.918 20 50 CCGDMM C[C@@H](Cc1cnc[nH]1)C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001589083633 955882945 /nfs/dbraw/zinc/88/29/45/955882945.db2.gz ONEMPUMOYDRQRP-QMMMGPOBSA-N -1 1 289.295 0.825 20 50 CCGDMM CC(C)(C(=O)[O-])C(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1 ZINC001588618540 959531172 /nfs/dbraw/zinc/53/11/72/959531172.db2.gz OMAIPTMFZKVXNC-UHFFFAOYSA-N -1 1 290.279 0.889 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001591111894 991774664 /nfs/dbraw/zinc/77/46/64/991774664.db2.gz XCLINNSAMCDJKJ-MXWKQRLJSA-N -1 1 299.371 0.363 20 50 CCGDMM COc1cccc(NNC(=O)c2ccc(C(=O)[O-])[nH]2)n1 ZINC001599680102 994964866 /nfs/dbraw/zinc/96/48/66/994964866.db2.gz YZQPKTPWYMNAAI-UHFFFAOYSA-N -1 1 276.252 0.873 20 50 CCGDMM CO[C@]1(C(=O)[O-])CCN(CCI)C1 ZINC001599077591 996911688 /nfs/dbraw/zinc/91/16/88/996911688.db2.gz JOYHIAAEJWWUDH-MRVPVSSYSA-N -1 1 299.108 0.597 20 50 CCGDMM Cc1cc(NNC(=O)C[C@@H](C)NC(=O)[O-])nc(C)n1 ZINC000830121919 603639334 /nfs/dbraw/zinc/63/93/34/603639334.db2.gz HUDOVJSCRRDYLK-SSDOTTSWSA-N -1 1 267.289 0.583 20 50 CCGDMM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNc2ncc(F)cn2)C1 ZINC000834167128 605612685 /nfs/dbraw/zinc/61/26/85/605612685.db2.gz ASTBCXJTPAZKOO-HTRCEHHLSA-N -1 1 283.263 0.495 20 50 CCGDMM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834167128 605612688 /nfs/dbraw/zinc/61/26/88/605612688.db2.gz ASTBCXJTPAZKOO-HTRCEHHLSA-N -1 1 283.263 0.495 20 50 CCGDMM CC(C)CC(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820050466 945337978 /nfs/dbraw/zinc/33/79/78/945337978.db2.gz AISVDQQZNYJDNE-UHFFFAOYSA-N -1 1 262.273 0.956 20 50 CCGDMM CC(C)CC(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820050466 945337988 /nfs/dbraw/zinc/33/79/88/945337988.db2.gz AISVDQQZNYJDNE-UHFFFAOYSA-N -1 1 262.273 0.956 20 50 CCGDMM CCOC(=O)c1cnc(=NNC(=O)[C@H](C)C(=O)[O-])[nH]c1C ZINC001591268711 951102475 /nfs/dbraw/zinc/10/24/75/951102475.db2.gz KZWZVTOPBCQLBH-LURJTMIESA-N -1 1 296.283 0.126 20 50 CCGDMM COc1cccc(NNC(=O)c2ccc(C(=O)[O-])cn2)n1 ZINC001599679694 994959624 /nfs/dbraw/zinc/95/96/24/994959624.db2.gz BHDJTPLACUDNSO-UHFFFAOYSA-N -1 1 288.263 0.940 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000826754066 601505028 /nfs/dbraw/zinc/50/50/28/601505028.db2.gz IHDMXKZRFFKFHQ-GARJFASQSA-N -1 1 299.371 0.221 20 50 CCGDMM CC(C)(C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735590216 944676784 /nfs/dbraw/zinc/67/67/84/944676784.db2.gz WJVPXLDNNUOUAW-UHFFFAOYSA-N -1 1 289.299 0.069 20 50 CCGDMM CC(C)(C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735590216 944676788 /nfs/dbraw/zinc/67/67/88/944676788.db2.gz WJVPXLDNNUOUAW-UHFFFAOYSA-N -1 1 289.299 0.069 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)c1ccncc1 ZINC000823273396 946380485 /nfs/dbraw/zinc/38/04/85/946380485.db2.gz LWGXQWFNMNLGGG-UHFFFAOYSA-N -1 1 283.251 0.619 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)c1ccncc1 ZINC000823273396 946380494 /nfs/dbraw/zinc/38/04/94/946380494.db2.gz LWGXQWFNMNLGGG-UHFFFAOYSA-N -1 1 283.251 0.619 20 50 CCGDMM O=C([O-])COCC(=O)NNc1cc(C(F)(F)F)ccn1 ZINC001595107307 951885785 /nfs/dbraw/zinc/88/57/85/951885785.db2.gz RWDVUSXAMCNIKN-UHFFFAOYSA-N -1 1 293.201 0.645 20 50 CCGDMM Cc1cc(NNC(=O)[C@](C)(C#N)CC(=O)[O-])nc(C)n1 ZINC000821041710 955487676 /nfs/dbraw/zinc/48/76/76/955487676.db2.gz HBQDCPSQSWLHBK-LBPRGKRZSA-N -1 1 277.284 0.541 20 50 CCGDMM COc1nccnc1NNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001594159559 958871612 /nfs/dbraw/zinc/87/16/12/958871612.db2.gz QQRYMCGYQJEEJZ-VIFPVBQESA-N -1 1 294.311 0.819 20 50 CCGDMM O=C([O-])CCC(=O)NNc1ccnc2cccnc21 ZINC001606101886 973281463 /nfs/dbraw/zinc/28/14/63/973281463.db2.gz ZODBZRIXRZMFAH-UHFFFAOYSA-N -1 1 260.253 0.360 20 50 CCGDMM CC(C)(C)NC(=S)NNC(=O)c1ccc(C(=O)[O-])o1 ZINC001589831509 988301777 /nfs/dbraw/zinc/30/17/77/988301777.db2.gz ALXDDYCTEFYSPN-UHFFFAOYSA-N -1 1 285.325 0.885 20 50 CCGDMM COc1nccnc1NNC(=O)CC(C)(C)CC(=O)[O-] ZINC001599739453 991825311 /nfs/dbraw/zinc/82/53/11/991825311.db2.gz YFVVNNAOHATAID-UHFFFAOYSA-N -1 1 282.300 0.819 20 50 CCGDMM Cc1cc(NNC(=O)[C@H](C)CN(C)C(=O)[O-])nc(C)n1 ZINC000830122091 604224897 /nfs/dbraw/zinc/22/48/97/604224897.db2.gz JNYVBLBNJYAJLP-SSDOTTSWSA-N -1 1 281.316 0.782 20 50 CCGDMM O=C([O-])NCC1(C(=O)NN=c2ncc(F)c[nH]2)CCCC1 ZINC000834206574 605614025 /nfs/dbraw/zinc/61/40/25/605614025.db2.gz KYKJDLMFTPMNCF-UHFFFAOYSA-N -1 1 297.290 0.887 20 50 CCGDMM CCOCC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821368253 945683951 /nfs/dbraw/zinc/68/39/51/945683951.db2.gz RWRIQMWYWNNBEV-UHFFFAOYSA-N -1 1 280.313 0.415 20 50 CCGDMM COCC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821680413 945800869 /nfs/dbraw/zinc/80/08/69/945800869.db2.gz IGYHFWUTZCVUHI-UHFFFAOYSA-N -1 1 266.286 0.025 20 50 CCGDMM O=C([O-])C1=NO[C@H](C(=O)NNc2ccc(Cl)cn2)C1 ZINC001594891220 954530255 /nfs/dbraw/zinc/53/02/55/954530255.db2.gz VNIDMKHSMJYLBD-ZETCQYMHSA-N -1 1 284.659 0.408 20 50 CCGDMM Cn1nc(C(=O)[O-])cc1C(=O)NNc1ccc(Cl)cn1 ZINC001594567698 955852330 /nfs/dbraw/zinc/85/23/30/955852330.db2.gz DARXFYQLDJFDMK-UHFFFAOYSA-N -1 1 295.686 0.924 20 50 CCGDMM O=C([O-])NCC(=O)NNC(=O)c1cc2cc(F)ccc2o1 ZINC000834203695 605452400 /nfs/dbraw/zinc/45/24/00/605452400.db2.gz WGWFTNZYFXLLAQ-UHFFFAOYSA-N -1 1 295.226 0.601 20 50 CCGDMM Cc1ccoc1C(=O)NNC(=O)CCCNC(=O)[O-] ZINC000833911630 605976073 /nfs/dbraw/zinc/97/60/73/605976073.db2.gz WDPWSIMFYJFTMK-UHFFFAOYSA-N -1 1 269.257 0.397 20 50 CCGDMM Nc1ccc(C(=O)NN=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822907446 946216196 /nfs/dbraw/zinc/21/61/96/946216196.db2.gz MZORXRLENXSKIP-UHFFFAOYSA-N -1 1 297.278 0.806 20 50 CCGDMM Nc1ccc(C(=O)NN=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822907446 946216205 /nfs/dbraw/zinc/21/62/05/946216205.db2.gz MZORXRLENXSKIP-UHFFFAOYSA-N -1 1 297.278 0.806 20 50 CCGDMM O=C([O-])[C@@H](C(=O)NN=c1[nH]cncc1Cl)C1CC1 ZINC001594835302 954021984 /nfs/dbraw/zinc/02/19/84/954021984.db2.gz CZOOHDYECVMIPM-SSDOTTSWSA-N -1 1 270.676 0.684 20 50 CCGDMM O=C([O-])[C@@]1(C(=O)NNc2ccc(Cl)cn2)CCCO1 ZINC001594867016 954318349 /nfs/dbraw/zinc/31/83/49/954318349.db2.gz GGUYFIKSKJAWGN-NSHDSACASA-N -1 1 285.687 0.812 20 50 CCGDMM CO[C@H](C(=O)[O-])C(=O)NNc1ccc(Cl)cn1 ZINC001593911741 955972572 /nfs/dbraw/zinc/97/25/72/955972572.db2.gz REBDBEMOWLWLFY-ZETCQYMHSA-N -1 1 259.649 0.278 20 50 CCGDMM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NNc1ccnc2cccnc21 ZINC001594227356 959434334 /nfs/dbraw/zinc/43/43/34/959434334.db2.gz FKGYFFBAMAWFRJ-CLAHSXSESA-N -1 1 286.291 0.606 20 50 CCGDMM C[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)N(C)C ZINC001599885757 984634097 /nfs/dbraw/zinc/63/40/97/984634097.db2.gz PNHCYEBBVJQNSM-MRVPVSSYSA-N -1 1 251.286 0.778 20 50 CCGDMM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NNc2ncc(F)cn2)C1 ZINC000834169827 605610718 /nfs/dbraw/zinc/61/07/18/605610718.db2.gz ORHZDMUBQGBBKE-IONNQARKSA-N -1 1 297.290 0.885 20 50 CCGDMM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834169827 605610724 /nfs/dbraw/zinc/61/07/24/605610724.db2.gz ORHZDMUBQGBBKE-IONNQARKSA-N -1 1 297.290 0.885 20 50 CCGDMM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NNc2ncc(F)cn2)C1 ZINC000834169828 605611093 /nfs/dbraw/zinc/61/10/93/605611093.db2.gz ORHZDMUBQGBBKE-VXNVDRBHSA-N -1 1 297.290 0.885 20 50 CCGDMM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834169828 605611098 /nfs/dbraw/zinc/61/10/98/605611098.db2.gz ORHZDMUBQGBBKE-VXNVDRBHSA-N -1 1 297.290 0.885 20 50 CCGDMM Cc1nc[nH]c1C=NNC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000833916345 606053032 /nfs/dbraw/zinc/05/30/32/606053032.db2.gz WGNKLSLLEIBXBX-UHFFFAOYSA-N -1 1 294.315 0.494 20 50 CCGDMM C=CCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000819751412 945282216 /nfs/dbraw/zinc/28/22/16/945282216.db2.gz UNRNLZKGHHPLAR-SOFGYWHQSA-N -1 1 270.252 0.669 20 50 CCGDMM C=CCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000819751412 945282226 /nfs/dbraw/zinc/28/22/26/945282226.db2.gz UNRNLZKGHHPLAR-SOFGYWHQSA-N -1 1 270.252 0.669 20 50 CCGDMM CCc1nn(C/C=C/C#N)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517335 945711697 /nfs/dbraw/zinc/71/16/97/945711697.db2.gz IIRCBFASOVFPDG-AATRIKPKSA-N -1 1 285.311 0.628 20 50 CCGDMM COCCCNC(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821687865 945812086 /nfs/dbraw/zinc/81/20/86/945812086.db2.gz SEYXCUNDVHOWRE-UHFFFAOYSA-N -1 1 293.287 0.129 20 50 CCGDMM COCCCNC(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821687865 945812099 /nfs/dbraw/zinc/81/20/99/945812099.db2.gz SEYXCUNDVHOWRE-UHFFFAOYSA-N -1 1 293.287 0.129 20 50 CCGDMM COc1cccc(=NNC(=O)C2(C(=O)[O-])CCC2)[nH]1 ZINC001594131922 958685880 /nfs/dbraw/zinc/68/58/80/958685880.db2.gz WNCRINPTORGBIO-UHFFFAOYSA-N -1 1 265.269 0.788 20 50 CCGDMM O=C([O-])c1ccc[nH]c1=NNC(=O)c1n[nH]cc1F ZINC001606529071 974042864 /nfs/dbraw/zinc/04/28/64/974042864.db2.gz XUURGWXUEDOWLD-UHFFFAOYSA-N -1 1 265.204 0.399 20 50 CCGDMM CN(CC(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1)C(=O)[O-] ZINC000828115722 604006475 /nfs/dbraw/zinc/00/64/75/604006475.db2.gz YTRPQWQPWCKVSW-UHFFFAOYSA-N -1 1 291.267 0.388 20 50 CCGDMM Cc1cc(C(=O)NNC(=O)CCCNC(=O)[O-])oc1C ZINC000833898201 605977019 /nfs/dbraw/zinc/97/70/19/605977019.db2.gz LHFLVXYNOMMYEY-UHFFFAOYSA-N -1 1 283.284 0.705 20 50 CCGDMM CCNC(=O)N(C)N=Cc1ccc(-c2nnn[n-]2)o1 ZINC000825471209 608753752 /nfs/dbraw/zinc/75/37/52/608753752.db2.gz POAKZHKTSVGISX-UHFFFAOYSA-N -1 1 263.261 0.455 20 50 CCGDMM CCNC(=O)N(C)N=Cc1ccc(-c2nn[n-]n2)o1 ZINC000825471209 608753754 /nfs/dbraw/zinc/75/37/54/608753754.db2.gz POAKZHKTSVGISX-UHFFFAOYSA-N -1 1 263.261 0.455 20 50 CCGDMM CC(C)NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820131721 945358187 /nfs/dbraw/zinc/35/81/87/945358187.db2.gz DOQJVTAFSYXHCP-VMPITWQZSA-N -1 1 272.268 0.891 20 50 CCGDMM CC(C)NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820131721 945358199 /nfs/dbraw/zinc/35/81/99/945358199.db2.gz DOQJVTAFSYXHCP-VMPITWQZSA-N -1 1 272.268 0.891 20 50 CCGDMM O=C([O-])COCC(=O)NN=c1ccc(Cl)c[nH]1 ZINC001595106992 951881344 /nfs/dbraw/zinc/88/13/44/951881344.db2.gz HFYWEWMEZSSXQC-UHFFFAOYSA-N -1 1 259.649 0.279 20 50 CCGDMM O=C([O-])COCC(=O)NNc1ncc(Cl)cc1Cl ZINC001595107299 951885569 /nfs/dbraw/zinc/88/55/69/951885569.db2.gz RJGZXBKCHLGEMK-UHFFFAOYSA-N -1 1 294.094 0.933 20 50 CCGDMM CC(C)[C@@H](CNC(=O)NN=c1ccc(C#N)c[nH]1)C(=O)[O-] ZINC001602985176 972014392 /nfs/dbraw/zinc/01/43/92/972014392.db2.gz UJQQCJSIUKZOFN-SNVBAGLBSA-N -1 1 291.311 0.936 20 50 CCGDMM Cc1cc(NNC(=O)CCNC(=O)[O-])nc(C)n1 ZINC000738238694 978505854 /nfs/dbraw/zinc/50/58/54/978505854.db2.gz AKFWQPOZNKGVBJ-UHFFFAOYSA-N -1 1 253.262 0.194 20 50 CCGDMM COc1nccnc1NNC(=O)C[C@H](C)CC(=O)[O-] ZINC001599738567 991812631 /nfs/dbraw/zinc/81/26/31/991812631.db2.gz KKJHSOQLUZUISD-ZETCQYMHSA-N -1 1 268.273 0.429 20 50 CCGDMM C[C@@H](NC(=O)[O-])C(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1 ZINC000825185945 604004667 /nfs/dbraw/zinc/00/46/67/604004667.db2.gz KKHCKLQECQEQHF-ZCFIWIBFSA-N -1 1 291.267 0.435 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)CCC(=O)[O-] ZINC001611250064 970954313 /nfs/dbraw/zinc/95/43/13/970954313.db2.gz WNJAZZMMUBWFPH-UHFFFAOYSA-N -1 1 257.271 0.077 20 50 CCGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H](C)C#N)o1 ZINC000735503137 944668245 /nfs/dbraw/zinc/66/82/45/944668245.db2.gz HDIDYBSAWXBAGZ-ZCFIWIBFSA-N -1 1 290.287 0.581 20 50 CCGDMM Cc1n[nH]cc1C(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822419773 946085025 /nfs/dbraw/zinc/08/50/25/946085025.db2.gz VBGRNIKGNZFKJI-UHFFFAOYSA-N -1 1 286.255 0.255 20 50 CCGDMM Cc1n[nH]cc1C(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822419773 946085037 /nfs/dbraw/zinc/08/50/37/946085037.db2.gz VBGRNIKGNZFKJI-UHFFFAOYSA-N -1 1 286.255 0.255 20 50 CCGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(N)=C(C#N)C#N ZINC000822795609 946174656 /nfs/dbraw/zinc/17/46/56/946174656.db2.gz DCCFUBLQUJEOMC-XVNBXDOJSA-N -1 1 278.235 0.627 20 50 CCGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(N)=C(C#N)C#N ZINC000822795609 946174663 /nfs/dbraw/zinc/17/46/63/946174663.db2.gz DCCFUBLQUJEOMC-XVNBXDOJSA-N -1 1 278.235 0.627 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)C1(C(=O)[O-])CC1 ZINC001594475220 959587429 /nfs/dbraw/zinc/58/74/29/959587429.db2.gz WAGOFSSXTSTVRI-UHFFFAOYSA-N -1 1 269.282 0.077 20 50 CCGDMM O=C([O-])C1(C(=O)NNc2ccnc3cccnc32)CCC1 ZINC001605935565 972875493 /nfs/dbraw/zinc/87/54/93/972875493.db2.gz OZWGJZVXFQJZSX-UHFFFAOYSA-N -1 1 286.291 0.750 20 50 CCGDMM Cc1cc(NNC(=O)CN(C)C(=O)[O-])nc(C)n1 ZINC000738462535 978542021 /nfs/dbraw/zinc/54/20/21/978542021.db2.gz QIUDUMIHECSZNJ-UHFFFAOYSA-N -1 1 253.262 0.146 20 50 CCGDMM CC[C@H](C(=O)[O-])C(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1 ZINC001594755856 981670051 /nfs/dbraw/zinc/67/00/51/981670051.db2.gz VKGOKKMNGXHBTJ-ZETCQYMHSA-N -1 1 290.279 0.889 20 50 CCGDMM CC(=NNC(N)=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823953834 608091550 /nfs/dbraw/zinc/09/15/50/608091550.db2.gz RVAVZIDTMJJTDQ-UHFFFAOYSA-N -1 1 251.275 0.321 20 50 CCGDMM O=C([O-])NNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000832745588 603629504 /nfs/dbraw/zinc/62/95/04/603629504.db2.gz ZNNVWSJJYCRLCA-UHFFFAOYSA-N -1 1 271.317 0.320 20 50 CCGDMM O=C([O-])NCCC(=O)NN=Cc1cc(F)c(O)c(F)c1 ZINC000834228094 605748392 /nfs/dbraw/zinc/74/83/92/605748392.db2.gz ZNSWYHGOJWIIQK-UHFFFAOYSA-N -1 1 287.222 0.778 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)c1ccccn1 ZINC000823273785 946389491 /nfs/dbraw/zinc/38/94/91/946389491.db2.gz XZRXRVHZTCPSAP-UHFFFAOYSA-N -1 1 283.251 0.619 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)c1ccccn1 ZINC000823273785 946389502 /nfs/dbraw/zinc/38/95/02/946389502.db2.gz XZRXRVHZTCPSAP-UHFFFAOYSA-N -1 1 283.251 0.619 20 50 CCGDMM CC(C)C[C@H](CNC(=O)NN=c1ccnc[nH]1)C(=O)[O-] ZINC001603010234 972061247 /nfs/dbraw/zinc/06/12/47/972061247.db2.gz BOEAVQHIHCSCNR-SECBINFHSA-N -1 1 281.316 0.850 20 50 CCGDMM CC(C)[C@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])N(C)C ZINC001588954538 962585187 /nfs/dbraw/zinc/58/51/87/962585187.db2.gz IOOLBRGUNWSGLA-SNVBAGLBSA-N -1 1 280.328 0.809 20 50 CCGDMM CN1CCCC[C@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001604216338 972695696 /nfs/dbraw/zinc/69/56/96/972695696.db2.gz LKCIQSWTUYILPV-JTQLQIEISA-N -1 1 278.312 0.707 20 50 CCGDMM COc1cccc(=NNC(=O)NC[C@@H](C)C(=O)[O-])[nH]1 ZINC001604871269 974119484 /nfs/dbraw/zinc/11/94/84/974119484.db2.gz OJORXKSEHNCIHJ-SSDOTTSWSA-N -1 1 268.273 0.437 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001591111893 991774787 /nfs/dbraw/zinc/77/47/87/991774787.db2.gz XCLINNSAMCDJKJ-GARJFASQSA-N -1 1 299.371 0.363 20 50 CCGDMM COc1cc(C(=O)[O-])ccc1NNC(=O)c1cnn[nH]1 ZINC001599377109 998505430 /nfs/dbraw/zinc/50/54/30/998505430.db2.gz KJWGWBJVAOGWMN-UHFFFAOYSA-N -1 1 277.240 0.268 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000826754753 601933428 /nfs/dbraw/zinc/93/34/28/601933428.db2.gz RMZHWSWBBJAVBU-IINYFYTJSA-N -1 1 299.371 0.365 20 50 CCGDMM CC(C)CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735756631 944697553 /nfs/dbraw/zinc/69/75/53/944697553.db2.gz PEGXBODRFONART-UHFFFAOYSA-N -1 1 289.299 0.069 20 50 CCGDMM CC(C)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735756631 944697555 /nfs/dbraw/zinc/69/75/55/944697555.db2.gz PEGXBODRFONART-UHFFFAOYSA-N -1 1 289.299 0.069 20 50 CCGDMM C[C@@H](C(=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1O ZINC001602804021 971582251 /nfs/dbraw/zinc/58/22/51/971582251.db2.gz DGUHSPUDAOTTMV-RXMQYKEDSA-N -1 1 286.671 0.527 20 50 CCGDMM CO[C@@H](C(=O)[O-])C(=O)NNc1ccc(Cl)cn1 ZINC001593911740 955972448 /nfs/dbraw/zinc/97/24/48/955972448.db2.gz REBDBEMOWLWLFY-SSDOTTSWSA-N -1 1 259.649 0.278 20 50 CCGDMM Cc1cc(NNC(=O)c2ccc(C(=O)[O-])cn2)nc(C)n1 ZINC001594325240 958161724 /nfs/dbraw/zinc/16/17/24/958161724.db2.gz KOTHZLQLNGBRJB-UHFFFAOYSA-N -1 1 287.279 0.944 20 50 CCGDMM C[C@@H](C(=O)[O-])C(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1 ZINC001588576706 959235825 /nfs/dbraw/zinc/23/58/25/959235825.db2.gz VFCUQZDOFBNJOR-ZCFIWIBFSA-N -1 1 276.252 0.499 20 50 CCGDMM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NN=c1[nH]cncc1Cl ZINC001594227299 959432482 /nfs/dbraw/zinc/43/24/82/959432482.db2.gz AWSCHRUCEGWLTH-FWOIEVBISA-N -1 1 270.676 0.684 20 50 CCGDMM O=C([O-])[C@@]1(C(=O)NN=c2ncc(F)c[n-]2)CC=CCC1 ZINC001605935825 972877383 /nfs/dbraw/zinc/87/73/83/972877383.db2.gz UJQDFYMJWXPCJM-LBPRGKRZSA-N -1 1 280.259 0.870 20 50 CCGDMM O=C([O-])[C@@]1(C(=O)NN=c2ncc(F)c[nH]2)CC=CCC1 ZINC001605935825 972877393 /nfs/dbraw/zinc/87/73/93/972877393.db2.gz UJQDFYMJWXPCJM-LBPRGKRZSA-N -1 1 280.259 0.870 20 50 CCGDMM N#Cc1ccc(=NNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[nH]c1 ZINC001605612010 973922688 /nfs/dbraw/zinc/92/26/88/973922688.db2.gz DKCPAZBIAZNWLP-DTORHVGOSA-N -1 1 275.268 0.443 20 50 CCGDMM O=C([O-])[C@H]1C[C@@H]1C(=O)NNc1ccnc2ccccc21 ZINC000739545676 978644042 /nfs/dbraw/zinc/64/40/42/978644042.db2.gz AJSINAGFNMQSHN-UWVGGRQHSA-N -1 1 271.276 0.821 20 50 CCGDMM C=C(CBr)CN1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001588605464 983693096 /nfs/dbraw/zinc/69/30/96/983693096.db2.gz IKBSFZAKJOXUSR-RKDXNWHRSA-N -1 1 278.146 0.705 20 50 CCGDMM Cc1cc(CC(=O)NN=CC2CCN(C(=O)[O-])CC2)[nH]n1 ZINC000830028678 603858075 /nfs/dbraw/zinc/85/80/75/603858075.db2.gz BEUIZRNJCUYVCC-UHFFFAOYSA-N -1 1 293.327 0.753 20 50 CCGDMM COCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821691333 945821578 /nfs/dbraw/zinc/82/15/78/945821578.db2.gz QQDGCXJZSNQUHH-SOFGYWHQSA-N -1 1 288.267 0.129 20 50 CCGDMM COCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821691333 945821591 /nfs/dbraw/zinc/82/15/91/945821591.db2.gz QQDGCXJZSNQUHH-SOFGYWHQSA-N -1 1 288.267 0.129 20 50 CCGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)NC1CC1 ZINC000822795549 946174028 /nfs/dbraw/zinc/17/40/28/946174028.db2.gz CIHAVIIXFAIXRN-ALCCZGGFSA-N -1 1 270.252 0.645 20 50 CCGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)NC1CC1 ZINC000822795549 946174036 /nfs/dbraw/zinc/17/40/36/946174036.db2.gz CIHAVIIXFAIXRN-ALCCZGGFSA-N -1 1 270.252 0.645 20 50 CCGDMM CN(C)c1nccc(NNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC001593715331 954212639 /nfs/dbraw/zinc/21/26/39/954212639.db2.gz MSRXUOMWSFLVOE-DTWKUNHWSA-N -1 1 293.327 0.487 20 50 CCGDMM CN(C)c1nccc(NNC(=O)[C@@H](C(=O)[O-])C2CC2)n1 ZINC001604093316 972502220 /nfs/dbraw/zinc/50/22/20/972502220.db2.gz XVMIJGZJNZJDMM-VIFPVBQESA-N -1 1 279.300 0.097 20 50 CCGDMM CO[C@](C)(C(=O)[O-])C(=O)NN=c1[nH]cncc1Cl ZINC001604464649 973339643 /nfs/dbraw/zinc/33/96/43/973339643.db2.gz YHVKDYJLKYCGFJ-VIFPVBQESA-N -1 1 274.664 0.063 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001605428639 973463727 /nfs/dbraw/zinc/46/37/27/973463727.db2.gz HFNAHQVUXHXLPN-SFYZADRCSA-N -1 1 297.336 0.713 20 50 CCGDMM N#Cc1ccc(=NNC(=O)NCCCC(=O)[O-])[nH]c1 ZINC001605612220 973923758 /nfs/dbraw/zinc/92/37/58/973923758.db2.gz HPORAQOLBXBEGK-UHFFFAOYSA-N -1 1 263.257 0.444 20 50 CCGDMM O=C([O-])[C@@H]1C[C@H]1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000833149382 601324800 /nfs/dbraw/zinc/32/48/00/601324800.db2.gz OZYISJQDRCGMRO-RKDXNWHRSA-N -1 1 288.259 0.915 20 50 CCGDMM O=C([O-])Nc1cnc(C(=O)NNc2ncc(F)cn2)cn1 ZINC000834277167 606063516 /nfs/dbraw/zinc/06/35/16/606063516.db2.gz HYLBCHSVCJKELT-UHFFFAOYSA-N -1 1 293.218 0.253 20 50 CCGDMM O=C([O-])Nc1cnc(C(=O)NN=c2ncc(F)c[nH]2)cn1 ZINC000834277167 606063519 /nfs/dbraw/zinc/06/35/19/606063519.db2.gz HYLBCHSVCJKELT-UHFFFAOYSA-N -1 1 293.218 0.253 20 50 CCGDMM CNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821630188 945760912 /nfs/dbraw/zinc/76/09/12/945760912.db2.gz PFNNELBQVLHVSR-GQCTYLIASA-N -1 1 260.282 0.581 20 50 CCGDMM C/C(C#N)=C/Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001573558715 946940757 /nfs/dbraw/zinc/94/07/57/946940757.db2.gz NVPUKICQLLSGAR-UITAMQMPSA-N -1 1 282.307 0.987 20 50 CCGDMM Cc1onc(CC(=O)NNc2ccccc2)c1-c1nnn[n-]1 ZINC000826348389 948074267 /nfs/dbraw/zinc/07/42/67/948074267.db2.gz JYHJDOPXAMTAJH-UHFFFAOYSA-N -1 1 299.294 0.849 20 50 CCGDMM Cc1onc(CC(=O)NNc2ccccc2)c1-c1nn[n-]n1 ZINC000826348389 948074277 /nfs/dbraw/zinc/07/42/77/948074277.db2.gz JYHJDOPXAMTAJH-UHFFFAOYSA-N -1 1 299.294 0.849 20 50 CCGDMM O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001595261495 949669839 /nfs/dbraw/zinc/66/98/39/949669839.db2.gz COFRIGAMHAYNIP-RKDXNWHRSA-N -1 1 287.279 0.750 20 50 CCGDMM O=C([O-])[C@H](C(=O)NN=c1[nH]cncc1Cl)C1CC1 ZINC001594835303 954021961 /nfs/dbraw/zinc/02/19/61/954021961.db2.gz CZOOHDYECVMIPM-ZETCQYMHSA-N -1 1 270.676 0.684 20 50 CCGDMM CN(C)c1nccc(NNC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001593715330 954212198 /nfs/dbraw/zinc/21/21/98/954212198.db2.gz MSRXUOMWSFLVOE-BDAKNGLRSA-N -1 1 293.327 0.487 20 50 CCGDMM CN1CCC[C@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001593780259 954642610 /nfs/dbraw/zinc/64/26/10/954642610.db2.gz WSPOIQXJVPFQNW-VIFPVBQESA-N -1 1 264.285 0.317 20 50 CCGDMM COc1nccnc1NNC(=O)C1(C(=O)[O-])CC=CC1 ZINC001594159827 958873279 /nfs/dbraw/zinc/87/32/79/958873279.db2.gz YKHCSLRCOIZDGP-UHFFFAOYSA-N -1 1 278.268 0.349 20 50 CCGDMM CN1CC[C@@H]1CNC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001604211143 972692062 /nfs/dbraw/zinc/69/20/62/972692062.db2.gz YZHWEYMNSCNMJU-MRVPVSSYSA-N -1 1 279.300 0.110 20 50 CCGDMM Cc1ccc2nc(CNC(=O)NNC(=O)[O-])[nH]c2c1 ZINC000830432725 603467236 /nfs/dbraw/zinc/46/72/36/603467236.db2.gz JSWLBTIHYQKGDJ-UHFFFAOYSA-N -1 1 263.257 0.853 20 50 CCGDMM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)Cc1cc(C)n[nH]1 ZINC000833801287 605623979 /nfs/dbraw/zinc/62/39/79/605623979.db2.gz IFAOCEQSZJWDBB-ZETCQYMHSA-N -1 1 281.316 0.799 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)c1cnccn1 ZINC000823273047 946371636 /nfs/dbraw/zinc/37/16/36/946371636.db2.gz CLWDNMHTYISNBY-UHFFFAOYSA-N -1 1 284.239 0.014 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)c1cnccn1 ZINC000823273047 946371647 /nfs/dbraw/zinc/37/16/47/946371647.db2.gz CLWDNMHTYISNBY-UHFFFAOYSA-N -1 1 284.239 0.014 20 50 CCGDMM CC(C)C(=O)NNC(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC001602959122 971941046 /nfs/dbraw/zinc/94/10/46/971941046.db2.gz JUTUUUSUSIRDNF-LLVKDONJSA-N -1 1 299.371 0.509 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)CSCC(=O)[O-] ZINC000740242629 955258512 /nfs/dbraw/zinc/25/85/12/955258512.db2.gz PZRZIIHKVBDVCN-UHFFFAOYSA-N -1 1 289.338 0.030 20 50 CCGDMM COc1nccnc1NNC(=O)CCCC(=O)[O-] ZINC001604912116 972462287 /nfs/dbraw/zinc/46/22/87/972462287.db2.gz PWZFAZKVAUSDHI-UHFFFAOYSA-N -1 1 254.246 0.183 20 50 CCGDMM CC(C)[C@@H](C(=O)[O-])C(=O)NN=c1[nH]cncc1F ZINC001588808547 961501197 /nfs/dbraw/zinc/50/11/97/961501197.db2.gz RNZXIIPDNKEOGA-SSDOTTSWSA-N -1 1 256.237 0.416 20 50 CCGDMM O=C([O-])CC[C@H]1C[C@H](C(=O)NN=c2ccnc[nH]2)CO1 ZINC001606111686 973322296 /nfs/dbraw/zinc/32/22/96/973322296.db2.gz MMDVWFBVUABEFU-IUCAKERBSA-N -1 1 280.284 0.190 20 50 CCGDMM COc1cccc(=NNC(=O)NC[C@H](C)C(=O)[O-])[nH]1 ZINC001604871270 974119531 /nfs/dbraw/zinc/11/95/31/974119531.db2.gz OJORXKSEHNCIHJ-ZETCQYMHSA-N -1 1 268.273 0.437 20 50 CCGDMM Cc1cc(C)c(C(=O)NNC(=O)NCCNC(=O)[O-])o1 ZINC000829986526 603448940 /nfs/dbraw/zinc/44/89/40/603448940.db2.gz PBITVUJTCPZMIB-UHFFFAOYSA-N -1 1 284.272 0.108 20 50 CCGDMM Cc1cc(NNC(=O)CN(CC2CC2)C(=O)[O-])nc(C)n1 ZINC000830121515 603639172 /nfs/dbraw/zinc/63/91/72/603639172.db2.gz CYMADEVOXOWHJS-UHFFFAOYSA-N -1 1 293.327 0.927 20 50 CCGDMM O=C([O-])N[C@@H]1CC[C@H](C(=O)NNc2ncc(F)cn2)C1 ZINC000834167129 605613016 /nfs/dbraw/zinc/61/30/16/605613016.db2.gz ASTBCXJTPAZKOO-POYBYMJQSA-N -1 1 283.263 0.495 20 50 CCGDMM O=C([O-])N[C@@H]1CC[C@H](C(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834167129 605613018 /nfs/dbraw/zinc/61/30/18/605613018.db2.gz ASTBCXJTPAZKOO-POYBYMJQSA-N -1 1 283.263 0.495 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)c1ccoc1 ZINC000823273208 946377223 /nfs/dbraw/zinc/37/72/23/946377223.db2.gz IDBPRDPVCGCXJV-UHFFFAOYSA-N -1 1 272.224 0.817 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)c1ccoc1 ZINC000823273208 946377229 /nfs/dbraw/zinc/37/72/29/946377229.db2.gz IDBPRDPVCGCXJV-UHFFFAOYSA-N -1 1 272.224 0.817 20 50 CCGDMM COc1nccnc1NNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001604912464 972464030 /nfs/dbraw/zinc/46/40/30/972464030.db2.gz UQTCQNPTNWIQDR-ZETCQYMHSA-N -1 1 266.257 0.039 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H](C(=O)[O-])C1 ZINC000736402291 978329935 /nfs/dbraw/zinc/32/99/35/978329935.db2.gz RBPVDRPGSLEBNM-QWRGUYRKSA-N -1 1 299.371 0.365 20 50 CCGDMM CN(CC(=O)NNc1ccnc2ccccc21)C(=O)[O-] ZINC000737393186 978404573 /nfs/dbraw/zinc/40/45/73/978404573.db2.gz JEUWMWQSXPFWPR-UHFFFAOYSA-N -1 1 274.280 0.710 20 50 CCGDMM CC(C)(C)C(=O)NNC(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000826134873 600989851 /nfs/dbraw/zinc/98/98/51/600989851.db2.gz FTYWTPTUWIQBKH-SNVBAGLBSA-N -1 1 299.371 0.509 20 50 CCGDMM CN(C)c1nccc(NNC(=O)[C@@H]2CCCN2C(=O)[O-])n1 ZINC000828080693 604004542 /nfs/dbraw/zinc/00/45/42/604004542.db2.gz HQZFMWBSSXOWEM-QMMMGPOBSA-N -1 1 294.315 0.128 20 50 CCGDMM CN1CC[C@H]1CNC(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001604211153 972691459 /nfs/dbraw/zinc/69/14/59/972691459.db2.gz YZHWEYMNSCNMJU-QMMMGPOBSA-N -1 1 279.300 0.110 20 50 CCGDMM O=C([O-])[C@@H]1C[C@H]1C(=O)NNc1ccnc2ccccc21 ZINC000739545675 978643926 /nfs/dbraw/zinc/64/39/26/978643926.db2.gz AJSINAGFNMQSHN-NXEZZACHSA-N -1 1 271.276 0.821 20 50 CCGDMM C[C@H](NC(=S)NNC(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC001593189597 994112904 /nfs/dbraw/zinc/11/29/04/994112904.db2.gz HGMPZOAAPVJKKO-LURJTMIESA-N -1 1 297.336 0.885 20 50 CCGDMM O=C([O-])NCC(=O)NN=Cc1cc(F)c(O)c(F)c1 ZINC000834200101 605386780 /nfs/dbraw/zinc/38/67/80/605386780.db2.gz XRLFONGABALDDN-UHFFFAOYSA-N -1 1 273.195 0.388 20 50 CCGDMM O=C([O-])NCC(=O)NN=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000834200847 605389636 /nfs/dbraw/zinc/38/96/36/605389636.db2.gz BUEQXMCNZXWINJ-UHFFFAOYSA-N -1 1 282.212 0.018 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)C(F)F ZINC000826444669 609451483 /nfs/dbraw/zinc/45/14/83/609451483.db2.gz PQNNQVYMRDCZEN-UHFFFAOYSA-N -1 1 256.172 0.175 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)C(F)F ZINC000826444669 609451485 /nfs/dbraw/zinc/45/14/85/609451485.db2.gz PQNNQVYMRDCZEN-UHFFFAOYSA-N -1 1 256.172 0.175 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000823273541 946382175 /nfs/dbraw/zinc/38/21/75/946382175.db2.gz QIUDKHUSBGDXGI-UHFFFAOYSA-N -1 1 262.298 0.788 20 50 CCGDMM CCOC(=O)c1cnc(=NNC(=O)[C@@H](C)C(=O)[O-])[nH]c1C ZINC001591268712 951103069 /nfs/dbraw/zinc/10/30/69/951103069.db2.gz KZWZVTOPBCQLBH-ZCFIWIBFSA-N -1 1 296.283 0.126 20 50 CCGDMM O=C([O-])CSCC(=O)NNc1ccnc2cccnc21 ZINC001595126873 952017451 /nfs/dbraw/zinc/01/74/51/952017451.db2.gz FRPHLNMGSVLQSD-UHFFFAOYSA-N -1 1 292.320 0.313 20 50 CCGDMM COC(=O)c1ccc(NNC(=O)C(C)(C)C(=O)[O-])nc1 ZINC001593882976 955726746 /nfs/dbraw/zinc/72/67/46/955726746.db2.gz KWMLLBVDJMKWIQ-UHFFFAOYSA-N -1 1 281.268 0.422 20 50 CCGDMM CC(C)c1ncc[nH]c1=NNC(=O)CSCC(=O)[O-] ZINC001603109596 972186271 /nfs/dbraw/zinc/18/62/71/972186271.db2.gz HMBAXWPKSFDLCS-UHFFFAOYSA-N -1 1 284.341 0.861 20 50 CCGDMM COc1nccnc1NNC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001594159600 958871886 /nfs/dbraw/zinc/87/18/86/958871886.db2.gz TWJDLOKRSFJUGA-KBUNVGBDSA-N -1 1 266.257 0.039 20 50 CCGDMM COc1nccnc1NNC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001599739455 991825746 /nfs/dbraw/zinc/82/57/46/991825746.db2.gz YJPUCRBOCRLQSR-UHFFFAOYSA-N -1 1 278.268 0.183 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)C(F)F ZINC000826444920 609451035 /nfs/dbraw/zinc/45/10/35/609451035.db2.gz ZHBGCCZDFOECJI-UHFFFAOYSA-N -1 1 272.240 0.643 20 50 CCGDMM Cc1cc(NNC(=O)c2ccc(-c3nnn[n-]3)nc2)ncn1 ZINC000737281757 945030175 /nfs/dbraw/zinc/03/01/75/945030175.db2.gz YMFRJDWQPHYBJO-UHFFFAOYSA-N -1 1 297.282 0.117 20 50 CCGDMM Cc1cc(NNC(=O)c2ccc(-c3nn[n-]n3)nc2)ncn1 ZINC000737281757 945030185 /nfs/dbraw/zinc/03/01/85/945030185.db2.gz YMFRJDWQPHYBJO-UHFFFAOYSA-N -1 1 297.282 0.117 20 50 CCGDMM C[C@H](CNC(=O)NN=c1[nH]cncc1Cl)C(=O)[O-] ZINC001589056295 955696374 /nfs/dbraw/zinc/69/63/74/955696374.db2.gz MZLDEVWNUPWOCX-RXMQYKEDSA-N -1 1 273.680 0.477 20 50 CCGDMM C[C@H](CNC(=O)NNc1ccnc2cccnc21)C(=O)[O-] ZINC001589056656 955701806 /nfs/dbraw/zinc/70/18/06/955701806.db2.gz RIMBYVRIRCLLNL-MRVPVSSYSA-N -1 1 289.295 0.399 20 50 CCGDMM C[C@H](C(=O)[O-])C(=O)NNC(=O)c1cc2ccccc2o1 ZINC001588573848 959204300 /nfs/dbraw/zinc/20/43/00/959204300.db2.gz LJRQSXCPXCKJAY-ZETCQYMHSA-N -1 1 276.248 0.915 20 50 CCGDMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000833149380 601324778 /nfs/dbraw/zinc/32/47/78/601324778.db2.gz OZYISJQDRCGMRO-DTWKUNHWSA-N -1 1 288.259 0.915 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)C[C@@H](C)NC(=O)[O-] ZINC000830835143 602864829 /nfs/dbraw/zinc/86/48/29/602864829.db2.gz XICBISLGHYEVHG-RXMQYKEDSA-N -1 1 286.313 0.259 20 50 CCGDMM C[C@H](CN(CC(=O)NNC(=O)C(C)(C)C)C1CC1)C(=O)[O-] ZINC000827450275 604746022 /nfs/dbraw/zinc/74/60/22/604746022.db2.gz UVMASRKFTSHUNB-SECBINFHSA-N -1 1 299.371 0.365 20 50 CCGDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NNc2ccccc2)n1 ZINC000826357968 608815118 /nfs/dbraw/zinc/81/51/18/608815118.db2.gz YJQRKHWTZXSVFD-UHFFFAOYSA-N -1 1 299.298 0.749 20 50 CCGDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NNc2ccccc2)n1 ZINC000826357968 608815122 /nfs/dbraw/zinc/81/51/22/608815122.db2.gz YJQRKHWTZXSVFD-UHFFFAOYSA-N -1 1 299.298 0.749 20 50 CCGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)NC1CC1 ZINC000822795562 946174390 /nfs/dbraw/zinc/17/43/90/946174390.db2.gz CIHAVIIXFAIXRN-FNORWQNLSA-N -1 1 270.252 0.645 20 50 CCGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)NC1CC1 ZINC000822795562 946174396 /nfs/dbraw/zinc/17/43/96/946174396.db2.gz CIHAVIIXFAIXRN-FNORWQNLSA-N -1 1 270.252 0.645 20 50 CCGDMM C[N@@H+](CCCC(=O)[O-])CC(=O)N[N-]C(=O)c1cccs1 ZINC000042717708 948883021 /nfs/dbraw/zinc/88/30/21/948883021.db2.gz WGALFHSEOQFUGL-UHFFFAOYSA-N -1 1 299.352 0.306 20 50 CCGDMM C[N@H+](CCCC(=O)[O-])CC(=O)N[N-]C(=O)c1cccs1 ZINC000042717708 948882997 /nfs/dbraw/zinc/88/29/97/948882997.db2.gz WGALFHSEOQFUGL-UHFFFAOYSA-N -1 1 299.352 0.306 20 50 CCGDMM C[C@H](C(=O)[O-])C(=O)NNc1ccnc2cccnc21 ZINC001588576081 959230269 /nfs/dbraw/zinc/23/02/69/959230269.db2.gz NPWKSVFHAJIPBQ-ZETCQYMHSA-N -1 1 260.253 0.216 20 50 CCGDMM O=C([O-])CSCC(=O)NN=c1[nH]cncc1Cl ZINC001606302034 973711068 /nfs/dbraw/zinc/71/10/68/973711068.db2.gz AMDHEIVLOQASDG-UHFFFAOYSA-N -1 1 276.705 0.391 20 50 CCGDMM COc1cccc(=NNC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)[nH]1 ZINC001599679886 994961587 /nfs/dbraw/zinc/96/15/87/994961587.db2.gz MXWSNHUGSGYGHZ-SFYZADRCSA-N -1 1 281.268 0.166 20 50 CCGDMM O=C([O-])NCCC(=O)NNC(=O)c1cc2ccccc2o1 ZINC000832599558 603498440 /nfs/dbraw/zinc/49/84/40/603498440.db2.gz SYDWLUSFAHSWRO-UHFFFAOYSA-N -1 1 291.263 0.852 20 50 CCGDMM CC(C)(CC(=O)[O-])CC(=O)NN=c1ncc(F)c[nH]1 ZINC000833455691 605719682 /nfs/dbraw/zinc/71/96/82/605719682.db2.gz OOLMSGILYPZHRT-UHFFFAOYSA-N -1 1 270.264 0.950 20 50 CCGDMM CC(C)NC(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820138535 945360225 /nfs/dbraw/zinc/36/02/25/945360225.db2.gz VWBPRPZPHALPST-UHFFFAOYSA-N -1 1 263.261 0.501 20 50 CCGDMM CC(C)NC(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820138535 945360238 /nfs/dbraw/zinc/36/02/38/945360238.db2.gz VWBPRPZPHALPST-UHFFFAOYSA-N -1 1 263.261 0.501 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)C1CCC1 ZINC000823273184 946374122 /nfs/dbraw/zinc/37/41/22/946374122.db2.gz HIXLAJDEZDZQLC-UHFFFAOYSA-N -1 1 260.257 0.710 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)C1CCC1 ZINC000823273184 946374134 /nfs/dbraw/zinc/37/41/34/946374134.db2.gz HIXLAJDEZDZQLC-UHFFFAOYSA-N -1 1 260.257 0.710 20 50 CCGDMM O=C([O-])[C@]1(C(=O)NNc2ccc(Cl)cn2)CCCO1 ZINC001594867014 954318600 /nfs/dbraw/zinc/31/86/00/954318600.db2.gz GGUYFIKSKJAWGN-LLVKDONJSA-N -1 1 285.687 0.812 20 50 CCGDMM CCC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818126138 955385627 /nfs/dbraw/zinc/38/56/27/955385627.db2.gz MQMYHNAETBBBLU-NXEZZACHSA-N -1 1 285.344 0.119 20 50 CCGDMM COC(=O)c1ccc(NNC(=O)CSCC(=O)[O-])nc1 ZINC000820685484 955476890 /nfs/dbraw/zinc/47/68/90/955476890.db2.gz WQYPMLYWWXCTHL-UHFFFAOYSA-N -1 1 299.308 0.129 20 50 CCGDMM COc1cccc(=NNC(=O)NCCC(=O)[O-])[nH]1 ZINC000820871272 955481167 /nfs/dbraw/zinc/48/11/67/955481167.db2.gz UVHHRGXPZHRMIS-UHFFFAOYSA-N -1 1 254.246 0.191 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000821196442 955493504 /nfs/dbraw/zinc/49/35/04/955493504.db2.gz ICKDFPSEGGCIDU-NSHDSACASA-N -1 1 296.308 0.217 20 50 CCGDMM COC(=O)c1ccc(NNC(=O)[C@H]2CC[C@H]2C(=O)[O-])nc1 ZINC001593882980 955727014 /nfs/dbraw/zinc/72/70/14/955727014.db2.gz LCYVWODXAYXAHN-DTWKUNHWSA-N -1 1 293.279 0.422 20 50 CCGDMM COc1cccc(=NNC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])[nH]1 ZINC001594131742 958681070 /nfs/dbraw/zinc/68/10/70/958681070.db2.gz IUNOUCMNZDCOOK-SFYZADRCSA-N -1 1 265.269 0.644 20 50 CCGDMM Cc1cc(NNC(=O)[C@@H](NC(=O)[O-])C(C)C)nc(C)n1 ZINC000738238757 978506017 /nfs/dbraw/zinc/50/60/17/978506017.db2.gz CFXDFTMJFYEUHV-JTQLQIEISA-N -1 1 281.316 0.829 20 50 CCGDMM Cc1cc(NNC(=O)CCCN(C)C(=O)[O-])nc(C)n1 ZINC000738462682 978542195 /nfs/dbraw/zinc/54/21/95/978542195.db2.gz RMKOIIYMTGWIIT-UHFFFAOYSA-N -1 1 281.316 0.927 20 50 CCGDMM O=C([O-])[C@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1O ZINC000739454780 978640053 /nfs/dbraw/zinc/64/00/53/978640053.db2.gz UUNOXACLUJSCSF-YUMQZZPRSA-N -1 1 298.682 0.527 20 50 CCGDMM C=CCNC(=S)NNC(=O)c1oc(C(=O)[O-])cc1C ZINC001588845407 984362596 /nfs/dbraw/zinc/36/25/96/984362596.db2.gz MBQGIMWWCHIFFU-UHFFFAOYSA-N -1 1 283.309 0.581 20 50 CCGDMM CC(C)[C@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)N(C)C ZINC000833464914 604804501 /nfs/dbraw/zinc/80/45/01/604804501.db2.gz DLYPPEDNVGOBJS-LLVKDONJSA-N -1 1 280.328 0.809 20 50 CCGDMM O=C([O-])CCNC(=O)NN=c1[nH]cncc1Cl ZINC001611452537 971058233 /nfs/dbraw/zinc/05/82/33/971058233.db2.gz JPYMACSKBZMJQV-UHFFFAOYSA-N -1 1 259.653 0.231 20 50 CCGDMM CCCCNC(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821071296 945628074 /nfs/dbraw/zinc/62/80/74/945628074.db2.gz AIDCMBXWYFUKCI-UHFFFAOYSA-N -1 1 277.288 0.893 20 50 CCGDMM CCCCNC(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821071296 945628081 /nfs/dbraw/zinc/62/80/81/945628081.db2.gz AIDCMBXWYFUKCI-UHFFFAOYSA-N -1 1 277.288 0.893 20 50 CCGDMM CCCNC(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821114506 945637747 /nfs/dbraw/zinc/63/77/47/945637747.db2.gz VHUTXNCTBMFIKM-UHFFFAOYSA-N -1 1 263.261 0.503 20 50 CCGDMM CCCNC(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821114506 945637756 /nfs/dbraw/zinc/63/77/56/945637756.db2.gz VHUTXNCTBMFIKM-UHFFFAOYSA-N -1 1 263.261 0.503 20 50 CCGDMM COCCOC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821691492 945821377 /nfs/dbraw/zinc/82/13/77/945821377.db2.gz WMDSSPQRNNBGAW-VURMDHGXSA-N -1 1 289.251 0.556 20 50 CCGDMM COCCOC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821691492 945821387 /nfs/dbraw/zinc/82/13/87/945821387.db2.gz WMDSSPQRNNBGAW-VURMDHGXSA-N -1 1 289.251 0.556 20 50 CCGDMM COc1cc(C)[n-]c(=NNC(=O)CSCC(=O)[O-])n1 ZINC000818560146 955402483 /nfs/dbraw/zinc/40/24/83/955402483.db2.gz XILHMEVMLQLAJZ-UHFFFAOYSA-N -1 1 286.313 0.055 20 50 CCGDMM Cc1cc(NNC(=O)[C@H]2CC[C@H]2C(=O)[O-])nc(C)n1 ZINC001594325364 958164034 /nfs/dbraw/zinc/16/40/34/958164034.db2.gz STGQEXHKEABDPX-DTWKUNHWSA-N -1 1 264.285 0.647 20 50 CCGDMM COc1nccnc1NNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001599738891 991817210 /nfs/dbraw/zinc/81/72/10/991817210.db2.gz NJEYOTHKWLENHL-IUCAKERBSA-N -1 1 294.311 0.819 20 50 CCGDMM CO[C@@]1(C(=O)[O-])CCN(CCI)C1 ZINC001599077592 996911785 /nfs/dbraw/zinc/91/17/85/996911785.db2.gz JOYHIAAEJWWUDH-QMMMGPOBSA-N -1 1 299.108 0.597 20 50 CCGDMM O=C([O-])NCCC(=O)NNC(=O)c1ccc(Cl)s1 ZINC000834228794 605845625 /nfs/dbraw/zinc/84/56/25/605845625.db2.gz PQNPOKPHADOBGH-UHFFFAOYSA-N -1 1 291.716 0.820 20 50 CCGDMM COCCOC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821691491 945820338 /nfs/dbraw/zinc/82/03/38/945820338.db2.gz WMDSSPQRNNBGAW-SOFGYWHQSA-N -1 1 289.251 0.556 20 50 CCGDMM COCCOC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821691491 945820353 /nfs/dbraw/zinc/82/03/53/945820353.db2.gz WMDSSPQRNNBGAW-SOFGYWHQSA-N -1 1 289.251 0.556 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)c1ccc[nH]1 ZINC000823273407 946380783 /nfs/dbraw/zinc/38/07/83/946380783.db2.gz MFVCNGZCZPXTRM-UHFFFAOYSA-N -1 1 271.240 0.552 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)c1ccc[nH]1 ZINC000823273407 946380792 /nfs/dbraw/zinc/38/07/92/946380792.db2.gz MFVCNGZCZPXTRM-UHFFFAOYSA-N -1 1 271.240 0.552 20 50 CCGDMM O=C([O-])[C@@H]1CC[C@H]1C(=O)NN=c1[nH]cncc1Cl ZINC001595181980 952253675 /nfs/dbraw/zinc/25/36/75/952253675.db2.gz IUTOKUMGCUTNKB-PHDIDXHHSA-N -1 1 270.676 0.684 20 50 CCGDMM COc1cccc(NNC(=O)NCCCCC(=O)[O-])n1 ZINC000820870856 955481880 /nfs/dbraw/zinc/48/18/80/955481880.db2.gz DHCZPMWGHBAASY-UHFFFAOYSA-N -1 1 282.300 0.971 20 50 CCGDMM CC(C)c1ncc[nH]c1=NNC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001573564204 959276709 /nfs/dbraw/zinc/27/67/09/959276709.db2.gz ARGQJEGYOKTNDB-CYBMUJFWSA-N -1 1 294.311 0.677 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001594474493 959576255 /nfs/dbraw/zinc/57/62/55/959576255.db2.gz GOLAGTSUEYPECS-SSDOTTSWSA-N -1 1 283.309 0.323 20 50 CCGDMM COc1cccc(=NNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])[nH]1 ZINC001604871096 974119146 /nfs/dbraw/zinc/11/91/46/974119146.db2.gz IUNOUCMNZDCOOK-HTQZYQBOSA-N -1 1 265.269 0.644 20 50 CCGDMM COc1cccc(=NNC(=O)C2(C(=O)[O-])CC=CC2)[nH]1 ZINC001604871629 974121523 /nfs/dbraw/zinc/12/15/23/974121523.db2.gz YVJTZYDIPWGVRY-UHFFFAOYSA-N -1 1 277.280 0.954 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](C(=O)[O-])C1 ZINC000736402288 978330478 /nfs/dbraw/zinc/33/04/78/978330478.db2.gz RBPVDRPGSLEBNM-MNOVXSKESA-N -1 1 299.371 0.365 20 50 CCGDMM Cc1cc(NNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nc(C)n1 ZINC000738462734 978541871 /nfs/dbraw/zinc/54/18/71/978541871.db2.gz VNCGFOJSXHJCQK-SFYZADRCSA-N -1 1 250.258 0.257 20 50 CCGDMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(Cl)cc1O ZINC000739454776 978640230 /nfs/dbraw/zinc/64/02/30/978640230.db2.gz UUNOXACLUJSCSF-JGVFFNPUSA-N -1 1 298.682 0.527 20 50 CCGDMM CCNC(=O)NNC(=O)c1oc(C(=O)[O-])cc1C ZINC001596471465 984197469 /nfs/dbraw/zinc/19/74/69/984197469.db2.gz ZVZGRKFABGHZPN-UHFFFAOYSA-N -1 1 255.230 0.250 20 50 CCGDMM O=C([O-])NCC(=O)NNC(=O)c1cc2ccccc2o1 ZINC000832396926 603498461 /nfs/dbraw/zinc/49/84/61/603498461.db2.gz JOYBSMJNODMZMZ-UHFFFAOYSA-N -1 1 277.236 0.461 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H]1CC(=O)[O-] ZINC000833474487 604967275 /nfs/dbraw/zinc/96/72/75/604967275.db2.gz XXLUAWULMTZJIY-GHMZBOCLSA-N -1 1 299.371 0.508 20 50 CCGDMM C/C(C#N)=C\Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC001573558171 946936609 /nfs/dbraw/zinc/93/66/09/946936609.db2.gz FDBHYFKRHZXUIH-QPJJXVBHSA-N -1 1 271.284 0.510 20 50 CCGDMM C[C@@H](CC(=O)[O-])NC(=O)NN=c1[nH]cncc1Cl ZINC001589000748 955321271 /nfs/dbraw/zinc/32/12/71/955321271.db2.gz DPSRBFYPZBHMIQ-YFKPBYRVSA-N -1 1 273.680 0.619 20 50 CCGDMM C[C@H](CC(=O)[O-])NC(=O)NN=c1[nH]cncc1Cl ZINC001589000745 955321443 /nfs/dbraw/zinc/32/14/43/955321443.db2.gz DPSRBFYPZBHMIQ-RXMQYKEDSA-N -1 1 273.680 0.619 20 50 CCGDMM C[C@@H](CNC(=O)NN=c1[nH]cncc1Cl)C(=O)[O-] ZINC001589056297 955696425 /nfs/dbraw/zinc/69/64/25/955696425.db2.gz MZLDEVWNUPWOCX-YFKPBYRVSA-N -1 1 273.680 0.477 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)C1(C(=O)[O-])CCC1 ZINC001594474775 959579653 /nfs/dbraw/zinc/57/96/53/959579653.db2.gz LJORMFODSWQFQH-UHFFFAOYSA-N -1 1 283.309 0.467 20 50 CCGDMM CN(C)c1nccc(NNC(=O)[C@H](C(=O)[O-])C2CC2)n1 ZINC001604093315 972501856 /nfs/dbraw/zinc/50/18/56/972501856.db2.gz XVMIJGZJNZJDMM-SECBINFHSA-N -1 1 279.300 0.097 20 50 CCGDMM C[C@@H](CC(=O)[O-])NC(=O)NNc1nncc(N)c1Cl ZINC001609885407 970572814 /nfs/dbraw/zinc/57/28/14/970572814.db2.gz KEIUFPBPEROELV-BYPYZUCNSA-N -1 1 288.695 0.202 20 50 CCGDMM O=C([O-])CC[C@H]1C[C@@H](C(=O)NN=c2ccnc[nH]2)CO1 ZINC001606111684 973322272 /nfs/dbraw/zinc/32/22/72/973322272.db2.gz MMDVWFBVUABEFU-BDAKNGLRSA-N -1 1 280.284 0.190 20 50 CCGDMM CC(CCC(=O)[O-])=NNC(=O)Cc1cc(C)n[nH]1 ZINC001592470808 978225245 /nfs/dbraw/zinc/22/52/45/978225245.db2.gz OUFLOMQNXWGFBV-UHFFFAOYSA-N -1 1 252.274 0.618 20 50 CCGDMM CCO/C=C(\C#N)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001596864113 985659744 /nfs/dbraw/zinc/65/97/44/985659744.db2.gz UKSKJETXGJBOFG-OCUQMRJBSA-N -1 1 295.339 0.438 20 50 CCGDMM C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1CC(=O)[O-] ZINC001599865177 989238801 /nfs/dbraw/zinc/23/88/01/989238801.db2.gz LUDTVGJPIPVLHO-NXEZZACHSA-N -1 1 299.371 0.223 20 50 CCGDMM CC(C)(CNC(=O)NN=c1[nH]cncc1F)C(=O)[O-] ZINC001590726415 990517512 /nfs/dbraw/zinc/51/75/12/990517512.db2.gz IDVCFBQHARSGGN-UHFFFAOYSA-N -1 1 271.252 0.353 20 50 CCGDMM CN1CCC[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001598602861 993589519 /nfs/dbraw/zinc/58/95/19/993589519.db2.gz UFZINJQQMDZAHY-NSHDSACASA-N -1 1 263.297 0.922 20 50 CCGDMM O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ncccc1[O-] ZINC000826447790 607463810 /nfs/dbraw/zinc/46/38/10/607463810.db2.gz WFVZIVGQNUPRHQ-UHFFFAOYSA-N -1 1 297.278 0.724 20 50 CCGDMM O=C([O-])[C@@H]1C[C@H]1C(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000833179535 602049394 /nfs/dbraw/zinc/04/93/94/602049394.db2.gz SIEWWAYQECPKSU-HTQZYQBOSA-N -1 1 288.263 0.499 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H]1CC(=O)[O-] ZINC000833474495 604967100 /nfs/dbraw/zinc/96/71/00/604967100.db2.gz XXLUAWULMTZJIY-WDEREUQCSA-N -1 1 299.371 0.508 20 50 CCGDMM O=C([O-])N1CCC[C@@H](C(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834050187 605612792 /nfs/dbraw/zinc/61/27/92/605612792.db2.gz XBYDDIONQQZMJC-SSDOTTSWSA-N -1 1 283.263 0.449 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)c1ccc(O)cc1 ZINC000823273580 946384650 /nfs/dbraw/zinc/38/46/50/946384650.db2.gz RDSKVSHHOQYHNN-UHFFFAOYSA-N -1 1 298.262 0.929 20 50 CCGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)c1ccc(O)cc1 ZINC000823273580 946384661 /nfs/dbraw/zinc/38/46/61/946384661.db2.gz RDSKVSHHOQYHNN-UHFFFAOYSA-N -1 1 298.262 0.929 20 50 CCGDMM Cc1cc(NNC(=O)[C@]2(C(=O)[O-])C[C@H]2C)nc(C)n1 ZINC001594325357 958163582 /nfs/dbraw/zinc/16/35/82/958163582.db2.gz SEFNJRSOSUWZJH-INWYIAFRSA-N -1 1 264.285 0.647 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001594474494 959576190 /nfs/dbraw/zinc/57/61/90/959576190.db2.gz GOLAGTSUEYPECS-ZETCQYMHSA-N -1 1 283.309 0.323 20 50 CCGDMM O=C([O-])NN=C1CCN(CCN2CCOCC2)CC1 ZINC000738658410 978582726 /nfs/dbraw/zinc/58/27/26/978582726.db2.gz CJHWKGFEDLJCJY-UHFFFAOYSA-N -1 1 270.333 0.038 20 50 CCGDMM CN(CC(=O)NNC(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000828114390 603495516 /nfs/dbraw/zinc/49/55/16/603495516.db2.gz GVQNBDXEYYOIBN-UHFFFAOYSA-N -1 1 291.263 0.804 20 50 CCGDMM C[C@H](NC(=O)[O-])C(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1 ZINC000825185940 604004771 /nfs/dbraw/zinc/00/47/71/604004771.db2.gz KKHCKLQECQEQHF-LURJTMIESA-N -1 1 291.267 0.435 20 50 CCGDMM O=C([O-])NCC(=O)NN=Cc1cc(-c2cccnc2)n[nH]1 ZINC000834200073 605386083 /nfs/dbraw/zinc/38/60/83/605386083.db2.gz WFDNPCDBRDYLFE-UHFFFAOYSA-N -1 1 288.267 0.189 20 50 CCGDMM O=C([O-])N1CC[C@@](F)(C(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834085565 605612434 /nfs/dbraw/zinc/61/24/34/605612434.db2.gz RLUVSLJZAMIOST-JTQLQIEISA-N -1 1 287.226 0.151 20 50 CCGDMM CNC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000826068319 608094998 /nfs/dbraw/zinc/09/49/98/608094998.db2.gz QWZVMPURCAYJPI-UHFFFAOYSA-N -1 1 265.302 0.581 20 50 CCGDMM COC(=O)c1ccc(NNC(=O)CCC(=O)[O-])nc1 ZINC001593882891 955725997 /nfs/dbraw/zinc/72/59/97/955725997.db2.gz FJOAZJKHFODYQD-UHFFFAOYSA-N -1 1 267.241 0.176 20 50 CCGDMM CC(C)[C@H](CNC(=O)NN=c1ccnc[nH]1)C(=O)[O-] ZINC001588824903 961662249 /nfs/dbraw/zinc/66/22/49/961662249.db2.gz HBHKXEJPXHMMFC-QMMMGPOBSA-N -1 1 267.289 0.460 20 50 CCGDMM CC(C)c1ncc[nH]c1=NNC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001588976241 962700018 /nfs/dbraw/zinc/70/00/18/962700018.db2.gz VOUPEVRBFOGWST-MRVPVSSYSA-N -1 1 293.283 0.273 20 50 CCGDMM O=C([O-])CC[C@@H]1CCCCN1CC(=O)NNC(=O)C1CC1 ZINC001329080517 969711662 /nfs/dbraw/zinc/71/16/62/969711662.db2.gz HFJJGJZLGZZHBG-NSHDSACASA-N -1 1 297.355 0.263 20 50 CCGDMM O=C([O-])[C@H]1C[C@@H]1C(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000833179579 602049077 /nfs/dbraw/zinc/04/90/77/602049077.db2.gz SIEWWAYQECPKSU-YUMQZZPRSA-N -1 1 288.263 0.499 20 50 CCGDMM Cc1cc(NNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)nc(C)n1 ZINC000830121262 603638712 /nfs/dbraw/zinc/63/87/12/603638712.db2.gz ANAFNXUOZURCFT-NXEZZACHSA-N -1 1 293.327 0.973 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)CC1CN(C(=O)[O-])C1 ZINC000830834646 603758848 /nfs/dbraw/zinc/75/88/48/603758848.db2.gz JYBQHRCDBHMXEY-UHFFFAOYSA-N -1 1 298.324 0.212 20 50 CCGDMM O=C([O-])NCCCCC(=O)NNc1ncc(F)cn1 ZINC000834234151 605928450 /nfs/dbraw/zinc/92/84/50/605928450.db2.gz LPGSQFNBXWHXTN-UHFFFAOYSA-N -1 1 271.252 0.497 20 50 CCGDMM O=C([O-])NCCCCC(=O)NN=c1ncc(F)c[nH]1 ZINC000834234151 605928453 /nfs/dbraw/zinc/92/84/53/605928453.db2.gz LPGSQFNBXWHXTN-UHFFFAOYSA-N -1 1 271.252 0.497 20 50 CCGDMM O=C(NNc1cnccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823280724 606598111 /nfs/dbraw/zinc/59/81/11/606598111.db2.gz FNHKJLSEQCVXDY-UHFFFAOYSA-N -1 1 288.296 0.475 20 50 CCGDMM O=C(NNc1cnccn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823280724 606598112 /nfs/dbraw/zinc/59/81/12/606598112.db2.gz FNHKJLSEQCVXDY-UHFFFAOYSA-N -1 1 288.296 0.475 20 50 CCGDMM C=CCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000819751416 945282506 /nfs/dbraw/zinc/28/25/06/945282506.db2.gz UNRNLZKGHHPLAR-VURMDHGXSA-N -1 1 270.252 0.669 20 50 CCGDMM C=CCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000819751416 945282515 /nfs/dbraw/zinc/28/25/15/945282515.db2.gz UNRNLZKGHHPLAR-VURMDHGXSA-N -1 1 270.252 0.669 20 50 CCGDMM CC(C)NC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820138332 945360281 /nfs/dbraw/zinc/36/02/81/945360281.db2.gz USCXDQUAAGWAME-UHFFFAOYSA-N -1 1 279.329 0.970 20 50 CCGDMM C[C@](C#N)(CC(=O)[O-])C(=O)NNc1ccnc2cccnc21 ZINC001573365073 958618937 /nfs/dbraw/zinc/61/89/37/958618937.db2.gz RVXCKPGQLWDRRK-CQSZACIVSA-N -1 1 299.290 0.499 20 50 CCGDMM Cc1nscc1C(=O)NNC(=O)CCCNC(=O)[O-] ZINC000833935495 605873226 /nfs/dbraw/zinc/87/32/26/605873226.db2.gz IUSQUYFCJDUKBL-UHFFFAOYSA-N -1 1 286.313 0.260 20 50 CCGDMM CC(=NNC(=O)N(C)C)c1ccc(-c2nn[n-]n2)s1 ZINC000823948791 608094485 /nfs/dbraw/zinc/09/44/85/608094485.db2.gz YDHGOTLVILKFLM-UHFFFAOYSA-N -1 1 279.329 0.923 20 50 CCGDMM CNC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821633848 945763554 /nfs/dbraw/zinc/76/35/54/945763554.db2.gz GUOKSIXCBLXLOU-UHFFFAOYSA-N -1 1 251.275 0.191 20 50 CCGDMM Cc1cc(C(=O)NN=Cc2ccc(-c3nnn[n-]3)o2)[nH]n1 ZINC000822176305 945970066 /nfs/dbraw/zinc/97/00/66/945970066.db2.gz IMJKSZNPQRLBTG-UHFFFAOYSA-N -1 1 286.255 0.255 20 50 CCGDMM Cc1cc(C(=O)NN=Cc2ccc(-c3nn[n-]n3)o2)[nH]n1 ZINC000822176305 945970070 /nfs/dbraw/zinc/97/00/70/945970070.db2.gz IMJKSZNPQRLBTG-UHFFFAOYSA-N -1 1 286.255 0.255 20 50 CCGDMM Cc1cc(=NNC(=O)c2ccc(C(=O)[O-])cn2)[nH]cn1 ZINC001594325368 958163394 /nfs/dbraw/zinc/16/33/94/958163394.db2.gz SZJLMIJRIWUNFE-UHFFFAOYSA-N -1 1 273.252 0.635 20 50 CCGDMM COc1nccnc1NNC(=O)C(C)(C)C(=O)[O-] ZINC001594159043 958864496 /nfs/dbraw/zinc/86/44/96/958864496.db2.gz AXEOFMBZPKVECO-UHFFFAOYSA-N -1 1 254.246 0.039 20 50 CCGDMM Cc1cc(NNC(=O)c2cnc(C(=O)[O-])cn2)nc(C)n1 ZINC001605213565 972959189 /nfs/dbraw/zinc/95/91/89/972959189.db2.gz UQJOGKPHQBBEHK-UHFFFAOYSA-N -1 1 288.267 0.339 20 50 CCGDMM O=C([O-])CCCCCNC(=O)NNc1ccncn1 ZINC001606151812 973408040 /nfs/dbraw/zinc/40/80/40/973408040.db2.gz IEOVDFFVAMIDHT-UHFFFAOYSA-N -1 1 267.289 0.748 20 50 CCGDMM CCC(CC)(C(=O)[O-])C(=O)NNc1nccnc1OC ZINC001603525999 973564928 /nfs/dbraw/zinc/56/49/28/973564928.db2.gz PGQHMTZMCJZCNE-UHFFFAOYSA-N -1 1 282.300 0.819 20 50 CCGDMM CC[C@H](C(=O)[O-])C(=O)NNC(=O)c1scnc1C ZINC001594755727 981668758 /nfs/dbraw/zinc/66/87/58/981668758.db2.gz PSOXYUHMGKAMLQ-LURJTMIESA-N -1 1 271.298 0.323 20 50 CCGDMM C=C(CBr)CN1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001588605462 983692841 /nfs/dbraw/zinc/69/28/41/983692841.db2.gz IKBSFZAKJOXUSR-DTWKUNHWSA-N -1 1 278.146 0.705 20 50 CCGDMM C[C@H](C(=O)NNc1cccc(C(=O)[O-])c1F)N(C)C ZINC001599885863 984635361 /nfs/dbraw/zinc/63/53/61/984635361.db2.gz RKCPJCZWPODTOE-SSDOTTSWSA-N -1 1 269.276 0.917 20 50 CCGDMM CCC(=O)NNC(=O)[C@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000828570827 601845026 /nfs/dbraw/zinc/84/50/26/601845026.db2.gz ZFQMYROFLCKZEI-JTQLQIEISA-N -1 1 299.371 0.509 20 50 CCGDMM O=C([O-])NCC(=O)NN=Cc1cc(-c2ccccc2)n[nH]1 ZINC000834199838 605383824 /nfs/dbraw/zinc/38/38/24/605383824.db2.gz PKDQMISCUOAVBG-UHFFFAOYSA-N -1 1 287.279 0.794 20 50 CCGDMM CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)Cc1cc(C)n[nH]1 ZINC000833801286 605624194 /nfs/dbraw/zinc/62/41/94/605624194.db2.gz IFAOCEQSZJWDBB-SSDOTTSWSA-N -1 1 281.316 0.799 20 50 CCGDMM O=C([O-])NCCCC(=O)NN=C1CCN2CCC[C@H]12 ZINC000834229391 606007774 /nfs/dbraw/zinc/00/77/74/606007774.db2.gz HAHPPEZUNXPELS-SNVBAGLBSA-N -1 1 268.317 0.375 20 50 CCGDMM C/C(C#N)=C\Cn1c(C)nc(-c2nn[n-]n2)c1C#N ZINC001573558240 946935922 /nfs/dbraw/zinc/93/59/22/946935922.db2.gz GPUOBZCDMQAWKD-XVNBXDOJSA-N -1 1 254.257 0.713 20 50 CCGDMM C/C(C#N)=C\Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001573558716 946940623 /nfs/dbraw/zinc/94/06/23/946940623.db2.gz NVPUKICQLLSGAR-WEVVVXLNSA-N -1 1 282.307 0.987 20 50 CCGDMM O=C([O-])Cn1ccc(NC(=O)NN=c2ncc(F)c[nH]2)n1 ZINC001595152055 952142154 /nfs/dbraw/zinc/14/21/54/952142154.db2.gz YXWAPLVKNWFDFA-UHFFFAOYSA-N -1 1 295.234 0.045 20 50 CCGDMM O=C([O-])c1cc(C(=O)NNc2ccc(Cl)cn2)[nH]n1 ZINC001594780052 953622498 /nfs/dbraw/zinc/62/24/98/953622498.db2.gz FXJIZDDTDISEPV-UHFFFAOYSA-N -1 1 281.659 0.913 20 50 CCGDMM CCC(=O)NNC(=O)[C@H](C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818126141 955385667 /nfs/dbraw/zinc/38/56/67/955385667.db2.gz MQMYHNAETBBBLU-VHSXEESVSA-N -1 1 285.344 0.119 20 50 CCGDMM CO[C@](C)(C(=O)[O-])C(=O)NN=c1[nH]ccnc1C1CCC1 ZINC001593926152 956128141 /nfs/dbraw/zinc/12/81/41/956128141.db2.gz DMGOYJUENZYADJ-ZDUSSCGKSA-N -1 1 294.311 0.677 20 50 CCGDMM O=C([O-])c1ccc(C=NNC(=O)c2cc[nH]n2)s1 ZINC001605814831 972539039 /nfs/dbraw/zinc/53/90/39/972539039.db2.gz VTMHUMFRMGPJPW-UHFFFAOYSA-N -1 1 264.266 0.933 20 50 CCGDMM C[C@@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001603427687 973165604 /nfs/dbraw/zinc/16/56/04/973165604.db2.gz ZAQSUGCTWJBKJH-ZJUUUORDSA-N -1 1 299.371 0.223 20 50 CCGDMM CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736402286 978330258 /nfs/dbraw/zinc/33/02/58/978330258.db2.gz RBPVDRPGSLEBNM-GHMZBOCLSA-N -1 1 299.371 0.365 20 50 CCGDMM CC(C)C(=O)NNC(=O)CN[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001590938891 990968778 /nfs/dbraw/zinc/96/87/78/990968778.db2.gz LNILAOLFVWWZFC-YPFXGUDJSA-N -1 1 299.371 0.413 20 50 CCGDMM COc1cccc(NNC(=O)c2cccc(C(=O)[O-])n2)n1 ZINC001599680018 994963653 /nfs/dbraw/zinc/96/36/53/994963653.db2.gz TZMXWNIYHDHONB-UHFFFAOYSA-N -1 1 288.263 0.940 20 50 CCGDMM COc1cccc(=NNC(=O)C2(C(=O)[O-])CC2)[nH]1 ZINC001599680108 994965696 /nfs/dbraw/zinc/96/56/96/994965696.db2.gz ZMASUIWQKLXPFD-UHFFFAOYSA-N -1 1 251.242 0.398 20 50 CCGDMM Cc1cccnc1C(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000826308053 607783491 /nfs/dbraw/zinc/78/34/91/607783491.db2.gz HKOPHEJQINJZAR-UHFFFAOYSA-N -1 1 297.278 0.927 20 50 CCGDMM Cc1cccnc1C(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000826308053 607783492 /nfs/dbraw/zinc/78/34/92/607783492.db2.gz HKOPHEJQINJZAR-UHFFFAOYSA-N -1 1 297.278 0.927 20 50 CCGDMM Cc1oc(-c2cnn(C)c2)nc1C(=O)NNC(=O)[O-] ZINC000830942402 603753539 /nfs/dbraw/zinc/75/35/39/603753539.db2.gz LDGSWYOVWGLUID-UHFFFAOYSA-N -1 1 265.229 0.296 20 50 CCGDMM CC(C)(C)C(=O)NNC(=O)CN1CCC[C@H]1CC(=O)[O-] ZINC000833422007 604969430 /nfs/dbraw/zinc/96/94/30/604969430.db2.gz QSOCLITYKYRZGH-VIFPVBQESA-N -1 1 285.344 0.119 20 50 CCGDMM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NNc2ncc(F)cn2)C1 ZINC000834169824 605611040 /nfs/dbraw/zinc/61/10/40/605611040.db2.gz ORHZDMUBQGBBKE-APPZFPTMSA-N -1 1 297.290 0.885 20 50 CCGDMM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NN=c2ncc(F)c[nH]2)C1 ZINC000834169824 605611045 /nfs/dbraw/zinc/61/10/45/605611045.db2.gz ORHZDMUBQGBBKE-APPZFPTMSA-N -1 1 297.290 0.885 20 50 CCGDMM O=C([O-])NCc1ccc(C(=O)NNc2ncc(F)cn2)o1 ZINC000834249119 605613800 /nfs/dbraw/zinc/61/38/00/605613800.db2.gz OIUQHPWCKMCMGK-UHFFFAOYSA-N -1 1 295.230 0.733 20 50 CCGDMM O=C([O-])NCc1ccc(C(=O)NN=c2ncc(F)c[nH]2)o1 ZINC000834249119 605613805 /nfs/dbraw/zinc/61/38/05/605613805.db2.gz OIUQHPWCKMCMGK-UHFFFAOYSA-N -1 1 295.230 0.733 20 50 CCGDMM O=C(NN=c1nccc[nH]1)c1ccc(-c2nnn[n-]2)s1 ZINC000823285682 606524346 /nfs/dbraw/zinc/52/43/46/606524346.db2.gz YVVDVLCDLHIVAD-UHFFFAOYSA-N -1 1 288.296 0.475 20 50 CCGDMM O=C(NN=c1nccc[nH]1)c1ccc(-c2nn[n-]n2)s1 ZINC000823285682 606524347 /nfs/dbraw/zinc/52/43/47/606524347.db2.gz YVVDVLCDLHIVAD-UHFFFAOYSA-N -1 1 288.296 0.475 20 50 CCGDMM CCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821114483 945638036 /nfs/dbraw/zinc/63/80/36/945638036.db2.gz UFUKQMXRAXEIOS-SOFGYWHQSA-N -1 1 272.268 0.893 20 50 CCGDMM CCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821114483 945638040 /nfs/dbraw/zinc/63/80/40/945638040.db2.gz UFUKQMXRAXEIOS-SOFGYWHQSA-N -1 1 272.268 0.893 20 50 CCGDMM CCOC(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821334101 945673232 /nfs/dbraw/zinc/67/32/32/945673232.db2.gz IQKIBUCPRMEOFK-UHFFFAOYSA-N -1 1 250.218 0.540 20 50 CCGDMM CCOC(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821334101 945673237 /nfs/dbraw/zinc/67/32/37/945673237.db2.gz IQKIBUCPRMEOFK-UHFFFAOYSA-N -1 1 250.218 0.540 20 50 CCGDMM C=C(CBr)n1cc(CNCC(=O)[O-])nn1 ZINC001602711952 971352200 /nfs/dbraw/zinc/35/22/00/971352200.db2.gz COEYNCORPGTERS-UHFFFAOYSA-N -1 1 275.106 0.318 20 50 CCGDMM COc1cccc(=NNC(=O)NCC2(C(=O)[O-])CCC2)[nH]1 ZINC001594131871 958684303 /nfs/dbraw/zinc/68/43/03/958684303.db2.gz SGEIXGYPORKPLJ-UHFFFAOYSA-N -1 1 294.311 0.971 20 50 CCGDMM Cn1nc(C(=O)[O-])cc1C(=O)NN=c1ccc(C#N)c[nH]1 ZINC001574465318 961562058 /nfs/dbraw/zinc/56/20/58/961562058.db2.gz GZQPNUFQVWPHLE-UHFFFAOYSA-N -1 1 286.251 0.142 20 50 CCGDMM C[C@@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)C[C@H]1C(=O)[O-] ZINC001603427683 973165519 /nfs/dbraw/zinc/16/55/19/973165519.db2.gz ZAQSUGCTWJBKJH-NXEZZACHSA-N -1 1 299.371 0.223 20 50 CCGDMM O=C([O-])c1ccc(C(=O)NN=c2ncc(F)c[nH]2)[nH]1 ZINC001574965465 983292177 /nfs/dbraw/zinc/29/21/77/983292177.db2.gz WWBHWHXLQPGRSH-UHFFFAOYSA-N -1 1 265.204 0.399 20 50 CCGDMM C=C(CBr)CN1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001588605461 983692758 /nfs/dbraw/zinc/69/27/58/983692758.db2.gz IKBSFZAKJOXUSR-BDAKNGLRSA-N -1 1 278.146 0.705 20 50 CCGDMM O=C([O-])NCC(=O)NNc1nc(C(F)(F)F)cs1 ZINC000832397137 603483362 /nfs/dbraw/zinc/48/33/62/603483362.db2.gz NJILUBZZGRRUIG-UHFFFAOYSA-N -1 1 284.219 0.873 20 50 CCGDMM C[C@H](NC(=O)[O-])C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000825187009 603496384 /nfs/dbraw/zinc/49/63/84/603496384.db2.gz XMDWYCQEAVVRDS-ZETCQYMHSA-N -1 1 291.263 0.850 20 50 CCGDMM O=C([O-])N[C@H]1CCC[C@H]1C(=O)NN=c1ncc(F)c[nH]1 ZINC000834174784 605692628 /nfs/dbraw/zinc/69/26/28/605692628.db2.gz XWMTUSJUGRVAPE-SFYZADRCSA-N -1 1 283.263 0.495 20 50 CCGDMM CN(C)c1nccc(NNC(=O)C(C)(C)C(=O)[O-])n1 ZINC001593715067 954206693 /nfs/dbraw/zinc/20/66/93/954206693.db2.gz BCOWIVRLNOHZSR-UHFFFAOYSA-N -1 1 267.289 0.097 20 50 CCGDMM Cc1ncsc1C(=O)NNC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821196440 955493680 /nfs/dbraw/zinc/49/36/80/955493680.db2.gz ICKDFPSEGGCIDU-LLVKDONJSA-N -1 1 296.308 0.217 20 50 CCGDMM O=C([O-])c1c[nH]nc1S(=O)(=O)NCC(Cl)Cl ZINC000390673480 972297822 /nfs/dbraw/zinc/29/78/22/972297822.db2.gz WILRZYLNFOYBRH-UHFFFAOYSA-N -1 1 288.112 0.190 20 50 CCGDMM CC(C)c1ncc[nH]c1=NNC(=O)[C@H](C)C(=O)[O-] ZINC001588576779 959238044 /nfs/dbraw/zinc/23/80/44/959238044.db2.gz YAOHDPLZRMNJAC-ZETCQYMHSA-N -1 1 252.274 0.764 20 50 CCGDMM COc1nccnc1NNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001604912459 972463966 /nfs/dbraw/zinc/46/39/66/972463966.db2.gz UQTCQNPTNWIQDR-SSDOTTSWSA-N -1 1 266.257 0.039 20 50 CCGDMM C[C@H]1CCN(CC(=O)NNC(=O)C(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001603427685 973165751 /nfs/dbraw/zinc/16/57/51/973165751.db2.gz ZAQSUGCTWJBKJH-UWVGGRQHSA-N -1 1 299.371 0.223 20 50 CCGDMM